Glide version 101132 (mmshare version 64132)
mmshare         fe6f4b4e17
glide-src       caa4c59e65
psp-src         86ad505f80
macromodel-src  a1e2893b06
epik-src        dac97ffddd

Copyright (c) Schrodinger, LLC.
All Rights Reserved.

--------------------------------------------------------------------------------
JobId          : LAPTOP-ML27RQMS-0-6788ab11
Name           : vsw_6-DOCK_HTVS_1-001
Program        : Glide
Version        : 2023-4 build 132
Host           : LAPTOP-ML27RQMS
Dir            : F:\human metapeunomia virus projects\Database\4 Drugs\5 phosphoprotein\vsw_6
HostEntry      : localhost
JobHost        : LAPTOP-ML27RQMS
JobDir         : C:\Users\Abbas Khan\AppData\Local\Schrodinger\tmp\vsw_6-DOCK_HTVS_1-001
JobSchrodinger : C:\Program Files\Schrodinger2023-4
Commandline    : C:\Program Files\Schrodinger2023-4\glide.exe -RESTART vsw_6-DOCK_HTVS_1-001.in -HOST localhost
StartTime      : 2025-01-16-11:45:38
--------------------------------------------------------------------------------

[running at reduced cpu priority]
 VdW radii of ligand atoms scaled by   0.800000000000000     
 Charge cutoff for polarity   0.150000000000000     
 After readscreen, (nx, ny, nz) = (          26 ,           26 ,           26 ).
  Receptor setup: (nsites, nx, ny, nz, bsize)=(         125 ,           26 , 
          26 ,           26 ,    1.00000000000000      ).
 Screening setup finished.
 DOCKMAIN: getting receptor.
  DOCKMAIN after grid: (nx, ny, nz) = (          72 ,           72 , 
          72 ).
 DOCKMAIN: Grid setup finished
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
  
  Penalizing non-planar amide torsions 
  
 Number of rotatable bonds            6
 Using templates for ring conformations.

GlideScore version SP5.0 will be used

  
 Buried polar penalty      0.000
 Coulomb vdW cutoff        0.000
 H bond cutoff             0.000
 Metal-ligand cutoff      10.000
Assigning GlideScore SP5.0 parameters
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      1(SANC00101_minRM1.pdb)
SKIP LIG        1 (SANC00101_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      2(SANC00104_minRM1.pdb)
SKIP LIG        2 (SANC00104_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      3(SANC00105_minRM1.pdb)
SKIP LIG        3 (SANC00105_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      4(SANC00106_minRM1.pdb)
SKIP LIG        4 (SANC00106_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      5(SANC00108_minRM1.pdb)
SKIP LIG        5 (SANC00108_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      6(SANC00109_minRM1.pdb)
SKIP LIG        6 (SANC00109_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      7(SANC00110_minRM1.pdb)
SKIP LIG        7 (SANC00110_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      8(SANC00111_minRM1.pdb)
SKIP LIG        8 (SANC00111_minRM1.pdb): GRID-ENERGY MIN FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00112_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  8 9 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #      9(SANC00112_minRM1.pdb)
SKIP LIG        9 (SANC00112_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       10 (SANC00113_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00114_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  7 8 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       11 (SANC00114_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       12 (SANC00115_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     13(SANC00116_minRM1.pdb)
SKIP LIG       13 (SANC00116_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     14(SANC00117_minRM1.pdb)
SKIP LIG       14 (SANC00117_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       15 (SANC00118_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     16(SANC00121_minRM1.pdb)
SKIP LIG       16 (SANC00121_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     17(SANC00122_minRM1.pdb)
SKIP LIG       17 (SANC00122_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     18(SANC00128_minRM1.pdb)
SKIP LIG       18 (SANC00128_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     19(SANC00129_minRM1.pdb)
SKIP LIG       19 (SANC00129_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     20(SANC00130_minRM1.pdb)
SKIP LIG       20 (SANC00130_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     21(SANC00131_minRM1.pdb)
SKIP LIG       21 (SANC00131_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     22(SANC00136_minRM1.pdb)
SKIP LIG       22 (SANC00136_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     23(SANC00137_minRM1.pdb)
SKIP LIG       23 (SANC00137_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     24(SANC00140_minRM1.pdb)
SKIP LIG       24 (SANC00140_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           14
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     25(SANC00142_minRM1.pdb)
SKIP LIG       25 (SANC00142_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           14
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     26(SANC00143_minRM1.pdb)
SKIP LIG       26 (SANC00143_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           14
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     27(SANC00144_minRM1.pdb)
SKIP LIG       27 (SANC00144_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           14
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     28(SANC00145_minRM1.pdb)
SKIP LIG       28 (SANC00145_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     29(SANC00146_minRM1.pdb)
SKIP LIG       29 (SANC00146_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     30(SANC00147_minRM1.pdb)
SKIP LIG       30 (SANC00147_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       31 (SANC00149_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       32 (SANC00150_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       33 (SANC00151_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       34 (SANC00152_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     35(SANC00155_minRM1.pdb)
SKIP LIG       35 (SANC00155_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       36 (SANC00156_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       37 (SANC00157_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     38(SANC00158_minRM1.pdb)
SKIP LIG       38 (SANC00158_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           14
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     39(SANC00159_minRM1.pdb)
SKIP LIG       39 (SANC00159_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           15
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     40(SANC00160_minRM1.pdb)
SKIP LIG       40 (SANC00160_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           13
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     41(SANC00161_minRM1.pdb)
SKIP LIG       41 (SANC00161_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     42(SANC00162_minRM1.pdb)
SKIP LIG       42 (SANC00162_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     43(SANC00163_minRM1.pdb)
SKIP LIG       43 (SANC00163_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     44(SANC00164_minRM1.pdb)
SKIP LIG       44 (SANC00164_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     45(SANC00165_minRM1.pdb)
SKIP LIG       45 (SANC00165_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     46(SANC00166_minRM1.pdb)
SKIP LIG       46 (SANC00166_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     47(SANC00167_minRM1.pdb)
SKIP LIG       47 (SANC00167_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     48(SANC00168_minRM1.pdb)
SKIP LIG       48 (SANC00168_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     49(SANC00169_minRM1.pdb)
SKIP LIG       49 (SANC00169_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     50(SANC00170_minRM1.pdb)
SKIP LIG       50 (SANC00170_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     51(SANC00171_minRM1.pdb)
SKIP LIG       51 (SANC00171_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     52(SANC00172_minRM1.pdb)
SKIP LIG       52 (SANC00172_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
SKIP LIG       53 (SANC00173_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     54(SANC00176_minRM1.pdb)
SKIP LIG       54 (SANC00176_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       55 (SANC00181_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
Postdocking minimization:   5 poses; CvdW cutoffs   100.0 kcal/mol for min,     0.0 kcal/mol for report.
GlideScore(   -3.70)+Epik State Penalty(    0.00) =    -3.70 kcal/mol
DOCKING RESULTS FOR LIGAND       56 (SANC00182_minRM1.pdb)
Best Emodel=   -15.65 E=   -13.09 Eint=     0.06 GlideScore=    -3.70
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     57(SANC00183_minRM1.pdb)
SKIP LIG       57 (SANC00183_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     58(SANC00184_minRM1.pdb)
SKIP LIG       58 (SANC00184_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     59(SANC00185_minRM1.pdb)
SKIP LIG       59 (SANC00185_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     60(SANC00186_minRM1.pdb)
SKIP LIG       60 (SANC00186_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     61(SANC00187_minRM1.pdb)
SKIP LIG       61 (SANC00187_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     62(SANC00188_minRM1.pdb)
SKIP LIG       62 (SANC00188_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     63(SANC00189_minRM1.pdb)
SKIP LIG       63 (SANC00189_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       64 (SANC00190_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     65(SANC00191_minRM1.pdb)
SKIP LIG       65 (SANC00191_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     66(SANC00192_minRM1.pdb)
SKIP LIG       66 (SANC00192_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     67(SANC00193_minRM1.pdb)
SKIP LIG       67 (SANC00193_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     68(SANC00194_minRM1.pdb)
SKIP LIG       68 (SANC00194_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     69(SANC00195_minRM1.pdb)
SKIP LIG       69 (SANC00195_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     70(SANC00196_minRM1.pdb)
SKIP LIG       70 (SANC00196_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     71(SANC00197_minRM1.pdb)
SKIP LIG       71 (SANC00197_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     72(SANC00198_minRM1.pdb)
SKIP LIG       72 (SANC00198_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       73 (SANC00200_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           11
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG       74 (SANC00201_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     75(SANC00202_minRM1.pdb)
SKIP LIG       75 (SANC00202_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     76(SANC00203_minRM1.pdb)
SKIP LIG       76 (SANC00203_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     77(SANC00204_minRM1.pdb)
SKIP LIG       77 (SANC00204_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
GlideScore(   -3.47)+Epik State Penalty(    0.00) =    -3.47 kcal/mol
DOCKING RESULTS FOR LIGAND       78 (SANC00205_minRM1.pdb)
Best Emodel=    -5.23 E=    -2.82 Eint=     3.04 GlideScore=    -3.47
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     79(SANC00219_minRM1.pdb)
SKIP LIG       79 (SANC00219_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     80(SANC00221_minRM1.pdb)
SKIP LIG       80 (SANC00221_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     81(SANC00222_minRM1.pdb)
SKIP LIG       81 (SANC00222_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     82(SANC00223_minRM1.pdb)
SKIP LIG       82 (SANC00223_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     83(SANC00224_minRM1.pdb)
SKIP LIG       83 (SANC00224_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
GlideScore(   -3.11)+Epik State Penalty(    0.00) =    -3.11 kcal/mol
DOCKING RESULTS FOR LIGAND       84 (SANC00225_minRM1.pdb)
Best Emodel=    -9.80 E=   -12.73 Eint=    15.30 GlideScore=    -3.11
GLIDE WARNING: The above ligand had one or more atoms outside the grid box during energy evaluation or minimization.
2 out of 3789 energy evaluations were affected.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     85(SANC00228_minRM1.pdb)
SKIP LIG       85 (SANC00228_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     86(SANC00229_minRM1.pdb)
SKIP LIG       86 (SANC00229_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           11
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     87(SANC00230_minRM1.pdb)
SKIP LIG       87 (SANC00230_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     88(SANC00231_minRM1.pdb)
SKIP LIG       88 (SANC00231_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     89(SANC00233_minRM1.pdb)
SKIP LIG       89 (SANC00233_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     90(SANC00236_minRM1.pdb)
SKIP LIG       90 (SANC00236_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     91(SANC00237_minRM1.pdb)
SKIP LIG       91 (SANC00237_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     92(SANC00238_minRM1.pdb)
SKIP LIG       92 (SANC00238_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     93(SANC00239_minRM1.pdb)
SKIP LIG       93 (SANC00239_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     94(SANC00241_minRM1.pdb)
SKIP LIG       94 (SANC00241_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     95(SANC00242_minRM1.pdb)
SKIP LIG       95 (SANC00242_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     96(SANC00243_minRM1.pdb)
SKIP LIG       96 (SANC00243_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     97(SANC00244_minRM1.pdb)
SKIP LIG       97 (SANC00244_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     98(SANC00245_minRM1.pdb)
SKIP LIG       98 (SANC00245_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #     99(SANC00253_minRM1.pdb)
SKIP LIG       99 (SANC00253_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
GlideScore(10000.00)+Epik State Penalty(    0.00) = 10000.00 kcal/mol
DOCKING RESULTS FOR LIGAND      100 (SANC00255_minRM1.pdb)
(No poses met the energy criterion for evaluating GlideScore.)
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
GlideScore(   -2.36)+Epik State Penalty(    0.00) =    -2.36 kcal/mol
DOCKING RESULTS FOR LIGAND      101 (SANC00256_minRM1.pdb)
Best Emodel=   -19.21 E=   -18.38 Eint=     3.81 GlideScore=    -2.36
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    102(SANC00257_minRM1.pdb)
SKIP LIG      102 (SANC00257_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    103(SANC00258_minRM1.pdb)
SKIP LIG      103 (SANC00258_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    104(SANC00260_minRM1.pdb)
SKIP LIG      104 (SANC00260_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    105(SANC00262_minRM1.pdb)
SKIP LIG      105 (SANC00262_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    106(SANC00263_minRM1.pdb)
SKIP LIG      106 (SANC00263_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    107(SANC00264_minRM1.pdb)
SKIP LIG      107 (SANC00264_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    108(SANC00265_minRM1.pdb)
SKIP LIG      108 (SANC00265_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    109(SANC00266_minRM1.pdb)
SKIP LIG      109 (SANC00266_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    110(SANC00267_minRM1.pdb)
SKIP LIG      110 (SANC00267_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
GlideScore(   -3.09)+Epik State Penalty(    0.00) =    -3.09 kcal/mol
DOCKING RESULTS FOR LIGAND      111 (SANC00268_minRM1.pdb)
Best Emodel=   -21.66 E=   -19.61 Eint=     7.44 GlideScore=    -3.09
GLIDE WARNING: The above ligand had one or more atoms outside the grid box during energy evaluation or minimization.
2 out of 4396 energy evaluations were affected.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    112(SANC00280_minRM1.pdb)
SKIP LIG      112 (SANC00280_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      113 (SANC00281_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      114 (SANC00282_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    115(SANC00286_minRM1.pdb)
SKIP LIG      115 (SANC00286_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    116(SANC00287_minRM1.pdb)
SKIP LIG      116 (SANC00287_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    117(SANC00288_minRM1.pdb)
SKIP LIG      117 (SANC00288_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    118(SANC00289_minRM1.pdb)
SKIP LIG      118 (SANC00289_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    119(SANC00290_minRM1.pdb)
SKIP LIG      119 (SANC00290_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    120(SANC00291_minRM1.pdb)
SKIP LIG      120 (SANC00291_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    121(SANC00297_minRM1.pdb)
SKIP LIG      121 (SANC00297_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      122 (SANC00299_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    123(SANC00302_minRM1.pdb)
SKIP LIG      123 (SANC00302_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    124(SANC00303_minRM1.pdb)
SKIP LIG      124 (SANC00303_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
GlideScore(   -1.25)+Epik State Penalty(    0.00) =    -1.25 kcal/mol
DOCKING RESULTS FOR LIGAND      125 (SANC00304_minRM1.pdb)
Best Emodel=   -13.55 E=   -12.61 Eint=     0.00 GlideScore=    -1.25
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    126(SANC00305_minRM1.pdb)
SKIP LIG      126 (SANC00305_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    127(SANC00306_minRM1.pdb)
SKIP LIG      127 (SANC00306_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    128(SANC00307_minRM1.pdb)
SKIP LIG      128 (SANC00307_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      129 (SANC00308_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    130(SANC00309_minRM1.pdb)
SKIP LIG      130 (SANC00309_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      131 (SANC00310_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    132(SANC00311_minRM1.pdb)
SKIP LIG      132 (SANC00311_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    133(SANC00312_minRM1.pdb)
SKIP LIG      133 (SANC00312_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    134(SANC00313_minRM1.pdb)
SKIP LIG      134 (SANC00313_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      135 (SANC00314_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    136(SANC00315_minRM1.pdb)
SKIP LIG      136 (SANC00315_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      137 (SANC00316_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    138(SANC00317_minRM1.pdb)
SKIP LIG      138 (SANC00317_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    139(SANC00318_minRM1.pdb)
SKIP LIG      139 (SANC00318_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    140(SANC00319_minRM1.pdb)
SKIP LIG      140 (SANC00319_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    141(SANC00320_minRM1.pdb)
SKIP LIG      141 (SANC00320_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    142(SANC00321_minRM1.pdb)
SKIP LIG      142 (SANC00321_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    143(SANC00322_minRM1.pdb)
SKIP LIG      143 (SANC00322_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    144(SANC00323_minRM1.pdb)
SKIP LIG      144 (SANC00323_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      145 (SANC00324_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      146 (SANC00325_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      147 (SANC00326_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      148 (SANC00327_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      149 (SANC00328_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    150(SANC00329_minRM1.pdb)
SKIP LIG      150 (SANC00329_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    151(SANC00330_minRM1.pdb)
SKIP LIG      151 (SANC00330_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      152 (SANC00331_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
GlideScore(   -4.16)+Epik State Penalty(    0.00) =    -4.16 kcal/mol
DOCKING RESULTS FOR LIGAND      153 (SANC00332_minRM1.pdb)
Best Emodel=   -18.67 E=   -16.09 Eint=     2.79 GlideScore=    -4.16
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      154 (SANC00333_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    155(SANC00334_minRM1.pdb)
SKIP LIG      155 (SANC00334_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    156(SANC00335_minRM1.pdb)
SKIP LIG      156 (SANC00335_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    157(SANC00336_minRM1.pdb)
SKIP LIG      157 (SANC00336_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
SKIP LIG      158 (SANC00337_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      159 (SANC00338_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      160 (SANC00339_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
SKIP LIG      161 (SANC00340_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      162 (SANC00341_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
SKIP LIG      163 (SANC00342_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    164(SANC00343_minRM1.pdb)
SKIP LIG      164 (SANC00343_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
GlideScore(   -1.41)+Epik State Penalty(    0.00) =    -1.41 kcal/mol
DOCKING RESULTS FOR LIGAND      165 (SANC00344_minRM1.pdb)
Best Emodel=   -19.33 E=   -18.32 Eint=     1.70 GlideScore=    -1.41
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      166 (SANC00345_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    167(SANC00346_minRM1.pdb)
SKIP LIG      167 (SANC00346_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      168 (SANC00347_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      169 (SANC00348_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      170 (SANC00349_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    171(SANC00350_minRM1.pdb)
SKIP LIG      171 (SANC00350_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    172(SANC00351_minRM1.pdb)
SKIP LIG      172 (SANC00351_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      173 (SANC00352_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      174 (SANC00353_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    175(SANC00354_minRM1.pdb)
SKIP LIG      175 (SANC00354_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
GlideScore(   -2.13)+Epik State Penalty(    0.00) =    -2.13 kcal/mol
DOCKING RESULTS FOR LIGAND      176 (SANC00355_minRM1.pdb)
Best Emodel=   -24.71 E=   -25.07 Eint=     6.75 GlideScore=    -2.13
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    177(SANC00356_minRM1.pdb)
SKIP LIG      177 (SANC00356_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    178(SANC00357_minRM1.pdb)
SKIP LIG      178 (SANC00357_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    179(SANC00358_minRM1.pdb)
SKIP LIG      179 (SANC00358_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    180(SANC00359_minRM1.pdb)
SKIP LIG      180 (SANC00359_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    181(SANC00360_minRM1.pdb)
SKIP LIG      181 (SANC00360_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    182(SANC00361_minRM1.pdb)
SKIP LIG      182 (SANC00361_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    183(SANC00362_minRM1.pdb)
SKIP LIG      183 (SANC00362_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    184(SANC00363_minRM1.pdb)
SKIP LIG      184 (SANC00363_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      185 (SANC00364_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      186 (SANC00365_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      187 (SANC00366_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    188(SANC00367_minRM1.pdb)
SKIP LIG      188 (SANC00367_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    189(SANC00368_minRM1.pdb)
SKIP LIG      189 (SANC00368_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    190(SANC00369_minRM1.pdb)
SKIP LIG      190 (SANC00369_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    191(SANC00371_minRM1.pdb)
SKIP LIG      191 (SANC00371_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    192(SANC00372_minRM1.pdb)
SKIP LIG      192 (SANC00372_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    193(SANC00373_minRM1.pdb)
SKIP LIG      193 (SANC00373_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      194 (SANC00374_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      195 (SANC00375_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    196(SANC00376_minRM1.pdb)
SKIP LIG      196 (SANC00376_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    197(SANC00377_minRM1.pdb)
SKIP LIG      197 (SANC00377_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      198 (SANC00378_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    199(SANC00379_minRM1.pdb)
SKIP LIG      199 (SANC00379_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    200(SANC00382_minRM1.pdb)
SKIP LIG      200 (SANC00382_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    201(SANC00385_minRM1.pdb)
SKIP LIG      201 (SANC00385_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    202(SANC00387_minRM1.pdb)
SKIP LIG      202 (SANC00387_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    203(SANC00413_minRM1.pdb)
SKIP LIG      203 (SANC00413_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    204(SANC00414_minRM1.pdb)
SKIP LIG      204 (SANC00414_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    205(SANC00415_minRM1.pdb)
SKIP LIG      205 (SANC00415_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    206(SANC00416_minRM1.pdb)
SKIP LIG      206 (SANC00416_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    207(SANC00421_minRM1.pdb)
SKIP LIG      207 (SANC00421_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
GlideScore(   -2.00)+Epik State Penalty(    0.00) =    -2.00 kcal/mol
DOCKING RESULTS FOR LIGAND      208 (SANC00425_minRM1.pdb)
Best Emodel=   -22.09 E=   -20.91 Eint=     2.62 GlideScore=    -2.00
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    209(SANC00426_minRM1.pdb)
SKIP LIG      209 (SANC00426_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    210(SANC00428_minRM1.pdb)
SKIP LIG      210 (SANC00428_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      211 (SANC00430_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      212 (SANC00431_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    213(SANC00432_minRM1.pdb)
SKIP LIG      213 (SANC00432_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      214 (SANC00433_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    215(SANC00434_minRM1.pdb)
SKIP LIG      215 (SANC00434_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    216(SANC00435_minRM1.pdb)
SKIP LIG      216 (SANC00435_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
SKIP LIG      217 (SANC00436_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    218(SANC00437_minRM1.pdb)
SKIP LIG      218 (SANC00437_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
SKIP LIG      219 (SANC00438_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    220(SANC00439_minRM1.pdb)
SKIP LIG      220 (SANC00439_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    221(SANC00441_minRM1.pdb)
SKIP LIG      221 (SANC00441_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    222(SANC00442_minRM1.pdb)
SKIP LIG      222 (SANC00442_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    223(SANC00443_minRM1.pdb)
SKIP LIG      223 (SANC00443_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      224 (SANC00444_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    225(SANC00445_minRM1.pdb)
SKIP LIG      225 (SANC00445_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    226(SANC00451_minRM1.pdb)
SKIP LIG      226 (SANC00451_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    227(SANC00452_minRM1.pdb)
SKIP LIG      227 (SANC00452_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    228(SANC00453_minRM1.pdb)
SKIP LIG      228 (SANC00453_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    229(SANC00456_minRM1.pdb)
SKIP LIG      229 (SANC00456_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    230(SANC00457_minRM1.pdb)
SKIP LIG      230 (SANC00457_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    231(SANC00458_minRM1.pdb)
SKIP LIG      231 (SANC00458_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    232(SANC00460_minRM1.pdb)
SKIP LIG      232 (SANC00460_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    233(SANC00462_minRM1.pdb)
SKIP LIG      233 (SANC00462_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
SKIP LIG      234 (SANC00464_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    235(SANC00465_minRM1.pdb)
SKIP LIG      235 (SANC00465_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      236 (SANC00466_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    237(SANC00467_minRM1.pdb)
SKIP LIG      237 (SANC00467_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    238(SANC00468_minRM1.pdb)
SKIP LIG      238 (SANC00468_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    239(SANC00469_minRM1.pdb)
SKIP LIG      239 (SANC00469_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      240 (SANC00470_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      241 (SANC00471_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      242 (SANC00472_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      243 (SANC00473_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      244 (SANC00474_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    245(SANC00475_minRM1.pdb)
SKIP LIG      245 (SANC00475_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    246(SANC00476_minRM1.pdb)
SKIP LIG      246 (SANC00476_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
SKIP LIG      247 (SANC00477_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    248(SANC00492_minRM1.pdb)
SKIP LIG      248 (SANC00492_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    249(SANC00513_minRM1.pdb)
SKIP LIG      249 (SANC00513_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      250 (SANC00515_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    251(SANC00517_minRM1.pdb)
SKIP LIG      251 (SANC00517_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    252(SANC00519_minRM1.pdb)
SKIP LIG      252 (SANC00519_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    253(SANC00520_minRM1.pdb)
SKIP LIG      253 (SANC00520_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    254(SANC00521_minRM1.pdb)
SKIP LIG      254 (SANC00521_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    255(SANC00522_minRM1.pdb)
SKIP LIG      255 (SANC00522_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    256(SANC00523_minRM1.pdb)
SKIP LIG      256 (SANC00523_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    257(SANC00525_minRM1.pdb)
SKIP LIG      257 (SANC00525_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    258(SANC00527_minRM1.pdb)
SKIP LIG      258 (SANC00527_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    259(SANC00528_minRM1.pdb)
SKIP LIG      259 (SANC00528_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    260(SANC00529_minRM1.pdb)
SKIP LIG      260 (SANC00529_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      261 (SANC00530_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    262(SANC00531_minRM1.pdb)
SKIP LIG      262 (SANC00531_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    263(SANC00532_minRM1.pdb)
SKIP LIG      263 (SANC00532_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      264 (SANC00533_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    265(SANC00534_minRM1.pdb)
SKIP LIG      265 (SANC00534_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      266 (SANC00535_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    267(SANC00536_minRM1.pdb)
SKIP LIG      267 (SANC00536_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    268(SANC00537_minRM1.pdb)
SKIP LIG      268 (SANC00537_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    269(SANC00538_minRM1.pdb)
SKIP LIG      269 (SANC00538_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    270(SANC00539_minRM1.pdb)
SKIP LIG      270 (SANC00539_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    271(SANC00540_minRM1.pdb)
SKIP LIG      271 (SANC00540_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    272(SANC00541_minRM1.pdb)
SKIP LIG      272 (SANC00541_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      273 (SANC00542_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      274 (SANC00550_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      275 (SANC00551_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      276 (SANC00552_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
GlideScore(   -3.13)+Epik State Penalty(    0.00) =    -3.13 kcal/mol
DOCKING RESULTS FOR LIGAND      277 (SANC00555_minRM1.pdb)
Best Emodel=   -21.40 E=   -17.82 Eint=     0.11 GlideScore=    -3.13
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    278(SANC00556_minRM1.pdb)
SKIP LIG      278 (SANC00556_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    279(SANC00557_minRM1.pdb)
SKIP LIG      279 (SANC00557_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      280 (SANC00560_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      281 (SANC00561_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    282(SANC00563_minRM1.pdb)
SKIP LIG      282 (SANC00563_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    283(SANC00564_minRM1.pdb)
SKIP LIG      283 (SANC00564_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    284(SANC00565_minRM1.pdb)
SKIP LIG      284 (SANC00565_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
SKIP LIG      285 (SANC00566_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
SKIP LIG      286 (SANC00567_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
SKIP LIG      287 (SANC00568_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    288(SANC00569_minRM1.pdb)
SKIP LIG      288 (SANC00569_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    289(SANC00570_minRM1.pdb)
SKIP LIG      289 (SANC00570_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    290(SANC00571_minRM1.pdb)
SKIP LIG      290 (SANC00571_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    291(SANC00572_minRM1.pdb)
SKIP LIG      291 (SANC00572_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    292(SANC00573_minRM1.pdb)
SKIP LIG      292 (SANC00573_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    293(SANC00574_minRM1.pdb)
SKIP LIG      293 (SANC00574_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    294(SANC00575_minRM1.pdb)
SKIP LIG      294 (SANC00575_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    295(SANC00576_minRM1.pdb)
SKIP LIG      295 (SANC00576_minRM1.pdb): GRID-ENERGY MIN FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00577_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  4 5 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    296(SANC00577_minRM1.pdb)
SKIP LIG      296 (SANC00577_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    297(SANC00578_minRM1.pdb)
SKIP LIG      297 (SANC00578_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
SKIP LIG      298 (SANC00580_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    299(SANC00588_minRM1.pdb)
SKIP LIG      299 (SANC00588_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    300(SANC00591_minRM1.pdb)
SKIP LIG      300 (SANC00591_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    301(SANC00594_minRM1.pdb)
SKIP LIG      301 (SANC00594_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    302(SANC00598_minRM1.pdb)
SKIP LIG      302 (SANC00598_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    303(SANC00599_minRM1.pdb)
SKIP LIG      303 (SANC00599_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    304(SANC00603_minRM1.pdb)
SKIP LIG      304 (SANC00603_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    305(SANC00604_minRM1.pdb)
SKIP LIG      305 (SANC00604_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    306(SANC00605_minRM1.pdb)
SKIP LIG      306 (SANC00605_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    307(SANC00606_minRM1.pdb)
SKIP LIG      307 (SANC00606_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    308(SANC00607_minRM1.pdb)
SKIP LIG      308 (SANC00607_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    309(SANC00608_minRM1.pdb)
SKIP LIG      309 (SANC00608_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
GlideScore(   -4.19)+Epik State Penalty(    0.00) =    -4.19 kcal/mol
DOCKING RESULTS FOR LIGAND      310 (SANC00609_minRM1.pdb)
Best Emodel=   -11.81 E=   -14.61 Eint=     9.48 GlideScore=    -4.19
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    311(SANC00610_minRM1.pdb)
SKIP LIG      311 (SANC00610_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    312(SANC00611_minRM1.pdb)
SKIP LIG      312 (SANC00611_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    313(SANC00612_minRM1.pdb)
SKIP LIG      313 (SANC00612_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    314(SANC00613_minRM1.pdb)
SKIP LIG      314 (SANC00613_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      315 (SANC00614_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    316(SANC00615_minRM1.pdb)
SKIP LIG      316 (SANC00615_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      317 (SANC00621_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      318 (SANC00622_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      319 (SANC00623_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      320 (SANC00624_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      321 (SANC00625_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      322 (SANC00626_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      323 (SANC00627_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
SKIP LIG      324 (SANC00628_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
SKIP LIG      325 (SANC00629_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    326(SANC00630_minRM1.pdb)
SKIP LIG      326 (SANC00630_minRM1.pdb): GRID-ENERGY MIN FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00633_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  2 3 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    327(SANC00633_minRM1.pdb)
SKIP LIG      327 (SANC00633_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    328(SANC00634_minRM1.pdb)
SKIP LIG      328 (SANC00634_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      329 (SANC00635_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    330(SANC00636_minRM1.pdb)
SKIP LIG      330 (SANC00636_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    331(SANC00637_minRM1.pdb)
SKIP LIG      331 (SANC00637_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    332(SANC00638_minRM1.pdb)
SKIP LIG      332 (SANC00638_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      333 (SANC00639_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      334 (SANC00640_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    335(SANC00641_minRM1.pdb)
SKIP LIG      335 (SANC00641_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    336(SANC00642_minRM1.pdb)
SKIP LIG      336 (SANC00642_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    337(SANC00643_minRM1.pdb)
SKIP LIG      337 (SANC00643_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      338 (SANC00644_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
SKIP LIG      339 (SANC00645_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      340 (SANC00646_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    341(SANC00647_minRM1.pdb)
SKIP LIG      341 (SANC00647_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    342(SANC00648_minRM1.pdb)
SKIP LIG      342 (SANC00648_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    343(SANC00649_minRM1.pdb)
SKIP LIG      343 (SANC00649_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    344(SANC00650_minRM1.pdb)
SKIP LIG      344 (SANC00650_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    345(SANC00651_minRM1.pdb)
SKIP LIG      345 (SANC00651_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      346 (SANC00652_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      347 (SANC00653_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      348 (SANC00654_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    349(SANC00655_minRM1.pdb)
SKIP LIG      349 (SANC00655_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    350(SANC00656_minRM1.pdb)
SKIP LIG      350 (SANC00656_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    351(SANC00657_minRM1.pdb)
SKIP LIG      351 (SANC00657_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      352 (SANC00658_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    353(SANC00659_minRM1.pdb)
SKIP LIG      353 (SANC00659_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    354(SANC00660_minRM1.pdb)
SKIP LIG      354 (SANC00660_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
GlideScore(   -3.36)+Epik State Penalty(    0.00) =    -3.36 kcal/mol
DOCKING RESULTS FOR LIGAND      355 (SANC00661_minRM1.pdb)
Best Emodel=    -0.85 E=    -1.54 Eint=     7.94 GlideScore=    -3.36
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    356(SANC00662_minRM1.pdb)
SKIP LIG      356 (SANC00662_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    357(SANC00663_minRM1.pdb)
SKIP LIG      357 (SANC00663_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    358(SANC00673_minRM1.pdb)
SKIP LIG      358 (SANC00673_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    359(SANC00674_minRM1.pdb)
SKIP LIG      359 (SANC00674_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    360(SANC00675_minRM1.pdb)
SKIP LIG      360 (SANC00675_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    361(SANC00676_minRM1.pdb)
SKIP LIG      361 (SANC00676_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    362(SANC00677_minRM1.pdb)
SKIP LIG      362 (SANC00677_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    363(SANC00678_minRM1.pdb)
SKIP LIG      363 (SANC00678_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    364(SANC00679_minRM1.pdb)
SKIP LIG      364 (SANC00679_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    365(SANC00680_minRM1.pdb)
SKIP LIG      365 (SANC00680_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    366(SANC00681_minRM1.pdb)
SKIP LIG      366 (SANC00681_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    367(SANC00682_minRM1.pdb)
SKIP LIG      367 (SANC00682_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    368(SANC00683_minRM1.pdb)
SKIP LIG      368 (SANC00683_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    369(SANC00688_minRM1.pdb)
SKIP LIG      369 (SANC00688_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    370(SANC00689_minRM1.pdb)
SKIP LIG      370 (SANC00689_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    371(SANC00690_minRM1.pdb)
SKIP LIG      371 (SANC00690_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    372(SANC00691_minRM1.pdb)
SKIP LIG      372 (SANC00691_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    373(SANC00696_minRM1.pdb)
SKIP LIG      373 (SANC00696_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    374(SANC00697_minRM1.pdb)
SKIP LIG      374 (SANC00697_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      375 (SANC00698_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    376(SANC00699_minRM1.pdb)
SKIP LIG      376 (SANC00699_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    377(SANC00701_minRM1.pdb)
SKIP LIG      377 (SANC00701_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    378(SANC00702_minRM1.pdb)
SKIP LIG      378 (SANC00702_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    379(SANC00704_minRM1.pdb)
SKIP LIG      379 (SANC00704_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    380(SANC00705_minRM1.pdb)
SKIP LIG      380 (SANC00705_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    381(SANC00708_minRM1.pdb)
SKIP LIG      381 (SANC00708_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      382 (SANC00709_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    383(SANC00710_minRM1.pdb)
SKIP LIG      383 (SANC00710_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      384 (SANC00712_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    385(SANC00713_minRM1.pdb)
SKIP LIG      385 (SANC00713_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
SKIP LIG      386 (SANC00716_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           11
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    387(SANC00719_minRM1.pdb)
SKIP LIG      387 (SANC00719_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    388(SANC00720_minRM1.pdb)
SKIP LIG      388 (SANC00720_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    389(SANC00721_minRM1.pdb)
SKIP LIG      389 (SANC00721_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           11
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    390(SANC00722_minRM1.pdb)
SKIP LIG      390 (SANC00722_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Using templates for ring conformations.
SKIP LIG      391 (SANC00723_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    392(SANC00724_minRM1.pdb)
SKIP LIG      392 (SANC00724_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           12
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    393(SANC00728_minRM1.pdb)
SKIP LIG      393 (SANC00728_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      394 (SANC00733_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      395 (SANC00735_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    396(SANC00739_minRM1.pdb)
SKIP LIG      396 (SANC00739_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    397(SANC00740_minRM1.pdb)
SKIP LIG      397 (SANC00740_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    398(SANC00741_minRM1.pdb)
SKIP LIG      398 (SANC00741_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    399(SANC00742_minRM1.pdb)
SKIP LIG      399 (SANC00742_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    400(SANC00745_minRM1.pdb)
SKIP LIG      400 (SANC00745_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    401(SANC00746_minRM1.pdb)
SKIP LIG      401 (SANC00746_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    402(SANC00747_minRM1.pdb)
SKIP LIG      402 (SANC00747_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    403(SANC00748_minRM1.pdb)
SKIP LIG      403 (SANC00748_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    404(SANC00749_minRM1.pdb)
SKIP LIG      404 (SANC00749_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    405(SANC00750_minRM1.pdb)
SKIP LIG      405 (SANC00750_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
SKIP LIG      406 (SANC00752_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
SKIP LIG      407 (SANC00753_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      408 (SANC00754_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    409(SANC00755_minRM1.pdb)
SKIP LIG      409 (SANC00755_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    410(SANC00756_minRM1.pdb)
SKIP LIG      410 (SANC00756_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
SKIP LIG      411 (SANC00757_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    412(SANC00758_minRM1.pdb)
SKIP LIG      412 (SANC00758_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      413 (SANC00759_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      414 (SANC00760_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      415 (SANC00761_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      416 (SANC00762_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           12
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    417(SANC00763_minRM1.pdb)
SKIP LIG      417 (SANC00763_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    418(SANC00764_minRM1.pdb)
SKIP LIG      418 (SANC00764_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    419(SANC00765_minRM1.pdb)
SKIP LIG      419 (SANC00765_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      420 (SANC00767_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    421(SANC00769_minRM1.pdb)
SKIP LIG      421 (SANC00769_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    422(SANC00770_minRM1.pdb)
SKIP LIG      422 (SANC00770_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      423 (SANC00771_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    424(SANC00772_minRM1.pdb)
SKIP LIG      424 (SANC00772_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      425 (SANC00774_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    426(SANC00775_minRM1.pdb)
SKIP LIG      426 (SANC00775_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    427(SANC00776_minRM1.pdb)
SKIP LIG      427 (SANC00776_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
SKIP LIG      428 (SANC00777_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00778_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  17 18 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      429 (SANC00778_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00779_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  18 19 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    430(SANC00779_minRM1.pdb)
SKIP LIG      430 (SANC00779_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      431 (SANC00780_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    432(SANC00784_minRM1.pdb)
SKIP LIG      432 (SANC00784_minRM1.pdb): GRID-ENERGY MIN FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00785_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  7 8 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
SKIP LIG      433 (SANC00785_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00786_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  17 18 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      434 (SANC00786_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      435 (SANC00789_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00790_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  18 19 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      436 (SANC00790_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00791_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  17 18 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      437 (SANC00791_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00792_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  7 8 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      438 (SANC00792_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      439 (SANC00793_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00794_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  17 18 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      440 (SANC00794_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00795_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  20 21 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      441 (SANC00795_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      442 (SANC00796_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      443 (SANC00797_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00798_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  22 23 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      444 (SANC00798_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      445 (SANC00799_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00800_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  18 19 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      446 (SANC00800_minRM1.pdb): ROUGH POSE REFINE FAILED
Glide: WARNING mmlewis warning: Wrong Lewis structure in structure input file
mmlewis warning: with title: SANC00801_minRM1.pdb
mmlewis warning: Problems were identified with the following atoms:
mmlewis warning:  18 19 
mmlewis warning: Now attempting to fix the lewis structure.
Glide: WARNING mmlewis warning: A valid lewis structure was successfully generated.
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      447 (SANC00801_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
GlideScore(   -4.18)+Epik State Penalty(    0.00) =    -4.18 kcal/mol
DOCKING RESULTS FOR LIGAND      448 (SANC00802_minRM1.pdb)
Best Emodel=    -7.81 E=    -6.77 Eint=     0.11 GlideScore=    -4.18
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    449(SANC00803_minRM1.pdb)
SKIP LIG      449 (SANC00803_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    450(SANC00804_minRM1.pdb)
SKIP LIG      450 (SANC00804_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    451(SANC00805_minRM1.pdb)
SKIP LIG      451 (SANC00805_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    452(SANC00806_minRM1.pdb)
SKIP LIG      452 (SANC00806_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    453(SANC00808_minRM1.pdb)
SKIP LIG      453 (SANC00808_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      454 (SANC00812_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    455(SANC00815_minRM1.pdb)
SKIP LIG      455 (SANC00815_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    456(SANC00816_minRM1.pdb)
SKIP LIG      456 (SANC00816_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    457(SANC00817_minRM1.pdb)
SKIP LIG      457 (SANC00817_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    458(SANC00818_minRM1.pdb)
SKIP LIG      458 (SANC00818_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      459 (SANC00821_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
SKIP LIG      460 (SANC00822_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    461(SANC00824_minRM1.pdb)
SKIP LIG      461 (SANC00824_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    462(SANC00825_minRM1.pdb)
SKIP LIG      462 (SANC00825_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      463 (SANC00830_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    464(SANC00831_minRM1.pdb)
SKIP LIG      464 (SANC00831_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
GlideScore(10000.00)+Epik State Penalty(    0.00) = 10000.00 kcal/mol
DOCKING RESULTS FOR LIGAND      465 (SANC00845_minRM1.pdb)
(No poses met the energy criterion for evaluating GlideScore.)
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    466(SANC00849_minRM1.pdb)
SKIP LIG      466 (SANC00849_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    467(SANC00852_minRM1.pdb)
SKIP LIG      467 (SANC00852_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           12
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    468(SANC00853_minRM1.pdb)
SKIP LIG      468 (SANC00853_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    469(SANC00855_minRM1.pdb)
SKIP LIG      469 (SANC00855_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    470(SANC00856_minRM1.pdb)
SKIP LIG      470 (SANC00856_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    471(SANC00859_minRM1.pdb)
SKIP LIG      471 (SANC00859_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           10
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    472(SANC00860_minRM1.pdb)
SKIP LIG      472 (SANC00860_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           14
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    473(SANC00861_minRM1.pdb)
SKIP LIG      473 (SANC00861_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           13
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    474(SANC00862_minRM1.pdb)
SKIP LIG      474 (SANC00862_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    475(SANC00863_minRM1.pdb)
SKIP LIG      475 (SANC00863_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    476(SANC00864_minRM1.pdb)
SKIP LIG      476 (SANC00864_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    477(SANC00865_minRM1.pdb)
SKIP LIG      477 (SANC00865_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
GlideScore(   -4.33)+Epik State Penalty(    0.00) =    -4.33 kcal/mol
DOCKING RESULTS FOR LIGAND      478 (SANC00871_minRM1.pdb)
Best Emodel=   -25.71 E=   -20.40 Eint=     0.35 GlideScore=    -4.33
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      479 (SANC00872_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      480 (SANC00873_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
SKIP LIG      481 (SANC00874_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    482(SANC00875_minRM1.pdb)
SKIP LIG      482 (SANC00875_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    483(SANC00876_minRM1.pdb)
SKIP LIG      483 (SANC00876_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      484 (SANC00878_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    485(SANC00881_minRM1.pdb)
SKIP LIG      485 (SANC00881_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    486(SANC00882_minRM1.pdb)
SKIP LIG      486 (SANC00882_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    487(SANC00883_minRM1.pdb)
SKIP LIG      487 (SANC00883_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    488(SANC00884_minRM1.pdb)
SKIP LIG      488 (SANC00884_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    489(SANC00885_minRM1.pdb)
SKIP LIG      489 (SANC00885_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    490(SANC00887_minRM1.pdb)
SKIP LIG      490 (SANC00887_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    491(SANC00888_minRM1.pdb)
SKIP LIG      491 (SANC00888_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    492(SANC00889_minRM1.pdb)
SKIP LIG      492 (SANC00889_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    493(SANC00894_minRM1.pdb)
SKIP LIG      493 (SANC00894_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    494(SANC00895_minRM1.pdb)
SKIP LIG      494 (SANC00895_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    495(SANC00898_minRM1.pdb)
SKIP LIG      495 (SANC00898_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    496(SANC00899_minRM1.pdb)
SKIP LIG      496 (SANC00899_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    497(SANC00900_minRM1.pdb)
SKIP LIG      497 (SANC00900_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    498(SANC00901_minRM1.pdb)
SKIP LIG      498 (SANC00901_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
SKIP LIG      499 (SANC00902_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    500(SANC00903_minRM1.pdb)
SKIP LIG      500 (SANC00903_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    501(SANC00906_minRM1.pdb)
SKIP LIG      501 (SANC00906_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    502(SANC00907_minRM1.pdb)
SKIP LIG      502 (SANC00907_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    503(SANC00909_minRM1.pdb)
SKIP LIG      503 (SANC00909_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    504(SANC00910_minRM1.pdb)
SKIP LIG      504 (SANC00910_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    505(SANC00911_minRM1.pdb)
SKIP LIG      505 (SANC00911_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    506(SANC00912_minRM1.pdb)
SKIP LIG      506 (SANC00912_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    507(SANC00913_minRM1.pdb)
SKIP LIG      507 (SANC00913_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    508(SANC00914_minRM1.pdb)
SKIP LIG      508 (SANC00914_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    509(SANC00916_minRM1.pdb)
SKIP LIG      509 (SANC00916_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    510(SANC00917_minRM1.pdb)
SKIP LIG      510 (SANC00917_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    511(SANC00919_minRM1.pdb)
SKIP LIG      511 (SANC00919_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    512(SANC00920_minRM1.pdb)
SKIP LIG      512 (SANC00920_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    513(SANC00921_minRM1.pdb)
SKIP LIG      513 (SANC00921_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    514(SANC00922_minRM1.pdb)
SKIP LIG      514 (SANC00922_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    515(SANC00923_minRM1.pdb)
SKIP LIG      515 (SANC00923_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    516(SANC00924_minRM1.pdb)
SKIP LIG      516 (SANC00924_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    517(SANC00926_minRM1.pdb)
SKIP LIG      517 (SANC00926_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    518(SANC00927_minRM1.pdb)
SKIP LIG      518 (SANC00927_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    519(SANC00928_minRM1.pdb)
SKIP LIG      519 (SANC00928_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    520(SANC00929_minRM1.pdb)
SKIP LIG      520 (SANC00929_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    521(SANC00930_minRM1.pdb)
SKIP LIG      521 (SANC00930_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    522(SANC00931_minRM1.pdb)
SKIP LIG      522 (SANC00931_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
GlideScore(   -4.44)+Epik State Penalty(    0.00) =    -4.44 kcal/mol
DOCKING RESULTS FOR LIGAND      523 (SANC00932_minRM1.pdb)
Best Emodel=    -5.98 E=    -6.46 Eint=     1.63 GlideScore=    -4.44
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    524(SANC00933_minRM1.pdb)
SKIP LIG      524 (SANC00933_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    525(SANC00934_minRM1.pdb)
SKIP LIG      525 (SANC00934_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    526(SANC00935_minRM1.pdb)
SKIP LIG      526 (SANC00935_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    527(SANC00936_minRM1.pdb)
SKIP LIG      527 (SANC00936_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    528(SANC00937_minRM1.pdb)
SKIP LIG      528 (SANC00937_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
SKIP LIG      529 (SANC00938_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    530(SANC00945_minRM1.pdb)
SKIP LIG      530 (SANC00945_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    531(SANC00946_minRM1.pdb)
SKIP LIG      531 (SANC00946_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    532(SANC00947_minRM1.pdb)
SKIP LIG      532 (SANC00947_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    533(SANC00948_minRM1.pdb)
SKIP LIG      533 (SANC00948_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    534(SANC00950_minRM1.pdb)
SKIP LIG      534 (SANC00950_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    535(SANC00951_minRM1.pdb)
SKIP LIG      535 (SANC00951_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    536(SANC00953_minRM1.pdb)
SKIP LIG      536 (SANC00953_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    537(SANC00954_minRM1.pdb)
SKIP LIG      537 (SANC00954_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    538(SANC00955_minRM1.pdb)
SKIP LIG      538 (SANC00955_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    539(SANC00956_minRM1.pdb)
SKIP LIG      539 (SANC00956_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    540(SANC00957_minRM1.pdb)
SKIP LIG      540 (SANC00957_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    541(SANC00958_minRM1.pdb)
SKIP LIG      541 (SANC00958_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    542(SANC00959_minRM1.pdb)
SKIP LIG      542 (SANC00959_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
SKIP LIG      543 (SANC00961_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    544(SANC00962_minRM1.pdb)
SKIP LIG      544 (SANC00962_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    545(SANC00966_minRM1.pdb)
SKIP LIG      545 (SANC00966_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Using templates for ring conformations.
GlideScore(10000.00)+Epik State Penalty(    0.00) = 10000.00 kcal/mol
DOCKING RESULTS FOR LIGAND      546 (SANC00967_minRM1.pdb)
(No poses met the energy criterion for evaluating GlideScore.)
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      547 (SANC00968_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    548(SANC00969_minRM1.pdb)
SKIP LIG      548 (SANC00969_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    549(SANC00970_minRM1.pdb)
SKIP LIG      549 (SANC00970_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    550(SANC00971_minRM1.pdb)
SKIP LIG      550 (SANC00971_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    551(SANC00972_minRM1.pdb)
SKIP LIG      551 (SANC00972_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    552(SANC00973_minRM1.pdb)
SKIP LIG      552 (SANC00973_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    553(SANC00974_minRM1.pdb)
SKIP LIG      553 (SANC00974_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    554(SANC00975_minRM1.pdb)
SKIP LIG      554 (SANC00975_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    555(SANC00976_minRM1.pdb)
SKIP LIG      555 (SANC00976_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    556(SANC00978_minRM1.pdb)
SKIP LIG      556 (SANC00978_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    557(SANC00979_minRM1.pdb)
SKIP LIG      557 (SANC00979_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    558(SANC00980_minRM1.pdb)
SKIP LIG      558 (SANC00980_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    559(SANC00982_minRM1.pdb)
SKIP LIG      559 (SANC00982_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    560(SANC00984_minRM1.pdb)
SKIP LIG      560 (SANC00984_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    561(SANC00985_minRM1.pdb)
SKIP LIG      561 (SANC00985_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      562 (SANC00986_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    563(SANC00987_minRM1.pdb)
SKIP LIG      563 (SANC00987_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    564(SANC00988_minRM1.pdb)
SKIP LIG      564 (SANC00988_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    565(SANC00992_minRM1.pdb)
SKIP LIG      565 (SANC00992_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    566(SANC00994_minRM1.pdb)
SKIP LIG      566 (SANC00994_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    567(SANC00995_minRM1.pdb)
SKIP LIG      567 (SANC00995_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    568(SANC00998_minRM1.pdb)
SKIP LIG      568 (SANC00998_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      569 (SANC00999_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      570 (SANC01000_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    571(SANC01004_minRM1.pdb)
SKIP LIG      571 (SANC01004_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    572(SANC01005_minRM1.pdb)
SKIP LIG      572 (SANC01005_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    573(SANC01009_minRM1.pdb)
SKIP LIG      573 (SANC01009_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    574(SANC01010_minRM1.pdb)
SKIP LIG      574 (SANC01010_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    575(SANC01011_minRM1.pdb)
SKIP LIG      575 (SANC01011_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    576(SANC01012_minRM1.pdb)
SKIP LIG      576 (SANC01012_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    577(SANC01014_minRM1.pdb)
SKIP LIG      577 (SANC01014_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    578(SANC01015_minRM1.pdb)
SKIP LIG      578 (SANC01015_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    579(SANC01016_minRM1.pdb)
SKIP LIG      579 (SANC01016_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    580(SANC01017_minRM1.pdb)
SKIP LIG      580 (SANC01017_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    581(SANC01018_minRM1.pdb)
SKIP LIG      581 (SANC01018_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      582 (SANC01019_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
SKIP LIG      583 (SANC01020_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      584 (SANC01021_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    585(SANC01022_minRM1.pdb)
SKIP LIG      585 (SANC01022_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    586(SANC01023_minRM1.pdb)
SKIP LIG      586 (SANC01023_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
GlideScore(10000.00)+Epik State Penalty(    0.00) = 10000.00 kcal/mol
DOCKING RESULTS FOR LIGAND      587 (SANC01024_minRM1.pdb)
(No poses met the energy criterion for evaluating GlideScore.)
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
GlideScore(   -4.01)+Epik State Penalty(    0.00) =    -4.01 kcal/mol
DOCKING RESULTS FOR LIGAND      588 (SANC01025_minRM1.pdb)
Best Emodel=   -16.93 E=   -13.58 Eint=     0.04 GlideScore=    -4.01
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
GlideScore(   -3.31)+Epik State Penalty(    0.00) =    -3.31 kcal/mol
DOCKING RESULTS FOR LIGAND      589 (SANC01026_minRM1.pdb)
Best Emodel=    -3.47 E=    -3.63 Eint=     3.08 GlideScore=    -3.31
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    590(SANC01028_minRM1.pdb)
SKIP LIG      590 (SANC01028_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      591 (SANC01030_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      592 (SANC01031_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    593(SANC01034_minRM1.pdb)
SKIP LIG      593 (SANC01034_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    594(SANC01035_minRM1.pdb)
SKIP LIG      594 (SANC01035_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    595(SANC01036_minRM1.pdb)
SKIP LIG      595 (SANC01036_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    596(SANC01038_minRM1.pdb)
SKIP LIG      596 (SANC01038_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    597(SANC01039_minRM1.pdb)
SKIP LIG      597 (SANC01039_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    598(SANC01040_minRM1.pdb)
SKIP LIG      598 (SANC01040_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
SKIP LIG      599 (SANC01042_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    600(SANC01043_minRM1.pdb)
SKIP LIG      600 (SANC01043_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    601(SANC01044_minRM1.pdb)
SKIP LIG      601 (SANC01044_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
SKIP LIG      602 (SANC01045_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           12
 Using templates for ring conformations.
SKIP LIG      603 (SANC01047_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
SKIP LIG      604 (SANC01051_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
SKIP LIG      605 (SANC01052_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           13
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    606(SANC01053_minRM1.pdb)
SKIP LIG      606 (SANC01053_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    607(SANC01055_minRM1.pdb)
SKIP LIG      607 (SANC01055_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            1
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    608(SANC01056_minRM1.pdb)
SKIP LIG      608 (SANC01056_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    609(SANC01058_minRM1.pdb)
SKIP LIG      609 (SANC01058_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           15
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    610(SANC01059_minRM1.pdb)
SKIP LIG      610 (SANC01059_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    611(SANC01060_minRM1.pdb)
SKIP LIG      611 (SANC01060_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      612 (SANC01062_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    613(SANC01063_minRM1.pdb)
SKIP LIG      613 (SANC01063_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    614(SANC01064_minRM1.pdb)
SKIP LIG      614 (SANC01064_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    615(SANC01065_minRM1.pdb)
SKIP LIG      615 (SANC01065_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    616(SANC01066_minRM1.pdb)
SKIP LIG      616 (SANC01066_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    617(SANC01075_minRM1.pdb)
SKIP LIG      617 (SANC01075_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      618 (SANC01076_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    619(SANC01077_minRM1.pdb)
SKIP LIG      619 (SANC01077_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    620(SANC01079_minRM1.pdb)
SKIP LIG      620 (SANC01079_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    621(SANC01082_minRM1.pdb)
SKIP LIG      621 (SANC01082_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            9
 Using templates for ring conformations.
SKIP LIG      622 (SANC01091_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            7
 Using templates for ring conformations.
SKIP LIG      623 (SANC01092_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      624 (SANC01094_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      625 (SANC01095_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds           11
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    626(SANC01097_minRM1.pdb)
SKIP LIG      626 (SANC01097_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    627(SANC01100_minRM1.pdb)
SKIP LIG      627 (SANC01100_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      628 (SANC01101_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    629(SANC01102_minRM1.pdb)
SKIP LIG      629 (SANC01102_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    630(SANC01103_minRM1.pdb)
SKIP LIG      630 (SANC01103_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    631(SANC01104_minRM1.pdb)
SKIP LIG      631 (SANC01104_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    632(SANC01109_minRM1.pdb)
SKIP LIG      632 (SANC01109_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            8
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    633(SANC01112_minRM1.pdb)
SKIP LIG      633 (SANC01112_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
SKIP LIG      634 (SANC01113_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      635 (SANC01114_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
SKIP LIG      636 (SANC01117_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            4
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    637(SANC01118_minRM1.pdb)
SKIP LIG      637 (SANC01118_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    638(SANC01120_minRM1.pdb)
SKIP LIG      638 (SANC01120_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    639(SANC01122_minRM1.pdb)
SKIP LIG      639 (SANC01122_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            2
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    640(SANC01126_minRM1.pdb)
SKIP LIG      640 (SANC01126_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    641(SANC01127_minRM1.pdb)
SKIP LIG      641 (SANC01127_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            0
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
SKIP LIG      642 (SANC01130_minRM1.pdb): ROUGH POSE REFINE FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            6
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    643(SANC01131_minRM1.pdb)
SKIP LIG      643 (SANC01131_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            3
 Using templates for ring conformations.
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    644(SANC01133_minRM1.pdb)
SKIP LIG      644 (SANC01133_minRM1.pdb): GRID-ENERGY MIN FAILED
Calling OPLS_2005 atomtyping ...
Finished parameter assignment
 Number of rotatable bonds            5
 Failed to generate ring conformations.
 Will use conformations from input structure.
 set bad on ringconf
  DO  NOTRINGCONF
NO VALID POSES AFTER MINIMIZATION: SKIPPING.
Ligand #    645(SANC01134_minRM1.pdb)
SKIP LIG      645 (SANC01134_minRM1.pdb): GRID-ENERGY MIN FAILED

Glide is executing the glide_sort command.
Command used is:
  C":\Program Files\Schrodinger2023-4\utilities\glide_sort" -n 645 -o "vsw_6-DOCK_HTVS_1-001_lib.maegz"  -norecep -hbond_cut 0.00 -cvdw_cut 0.00 -metal_cut 10.00 -gscore_cut 100.00 -dscore_cut 100.00 "vsw_6-DOCK_HTVS_1-001_raw.maegz"
                                  Glide Sort                                  
------------------------------------------------------------------------------
REPORT OF BEST 18 POSES

The sorted ligand structures were written to the file:
    vsw_6-DOCK_HTVS_1-001_lib.maegz

Final rankings based on original docking score.

4 poses were rejected by the energy filters,
    Coul+vdw Energy    <=     0.0
    Hbond Interaction  <=     0.0
    Metal Interaction  <=    10.0
    GlideScore         <=   100.0
    Docking Score      <=   100.0
(If any of the above properties is not defined for a given pose,
 the corresponding filter is not applied to that pose.)

[running at reduced cpu priority]

glide_sort command succeeded.  Pose file vsw_6-DOCK_HTVS_1-001_lib.maegz was written.

Exiting Glide
Date: Thursday, January 16 2025, at 11:46:29 Pakistan Standard Time
CPU time (s): 41.0 user, 3.8 system, 48.5 real
Total elapsed time = 48 seconds
[running at reduced cpu priority]
