AutoDock Vina v1.2.5
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# If you used AutoDock Vina in your work, please cite:          #
#                                                               #
# J. Eberhardt, D. Santos-Martins, A. F. Tillack, and S. Forli  #
# AutoDock Vina 1.2.0: New Docking Methods, Expanded Force      #
# Field, and Python Bindings, J. Chem. Inf. Model. (2021)       #
# DOI 10.1021/acs.jcim.1c00203                                  #
#                                                               #
# O. Trott, A. J. Olson,                                        #
# AutoDock Vina: improving the speed and accuracy of docking    #
# with a new scoring function, efficient optimization and       #
# multithreading, J. Comp. Chem. (2010)                         #
# DOI 10.1002/jcc.21334                                         #
#                                                               #
# Please see https://github.com/ccsb-scripps/AutoDock-Vina for  #
# more information.                                             #
#################################################################

Scoring function : vina
Rigid receptor: receptor\KRAS-9S84.pdbqt
Ligand: ligand\GPT.pdbqt
Grid center: X 17.549 Y -5.213 Z 11.533
Grid size  : X 20 Y 20 Z 20
Grid space : 0.375
Exhaustiveness: 25
CPU: 0
Verbosity: 1

Computing Vina grid ... done.
Performing docking (random seed: -884315937) ... 
0%   10   20   30   40   50   60   70   80   90   100%
|----|----|----|----|----|----|----|----|----|----|
***************************************************

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1       -8.387          0          0
   2       -8.015     0.9707      1.404
   3       -7.683      1.633      2.066
   4        -7.23      2.128       3.99
   5        -6.81       1.75      3.995
   6       -6.704      2.521      4.616
   7       -6.694      1.833      3.166
   8       -6.639       3.62       5.72
   9       -6.608       4.71      8.515
