[Dock-fans] Help: Where is my GB/SA score?

[thirsty]

 I have set the dock.in file as fowllow:

gbsa_hawkins_score_secondary                                 yes
gbsa_hawkins_score_rec_filename                              abcd.mol2
gbsa_hawkins_score_solvent_dielectric                        78.5
gbsa_hawkins_use_salt_screen                                 no
gbsa_hawkins_score_gb_offset                                  0.09
gbsa_hawkins_score_cont_vdw_and_es                           yes
gbsa_hawkins_score_vdw_att_exp                               6
gbsa_hawkins_score_vdw_rep_exp                               12
grid_score_rep_rad_scale                                           1

but I have not receive the GBSA score, the fowllow is my dock.out file:

Initializing Library File Routines...
Initializing Orienting Routines...
Initializing Conformer Generator Routines...
Initializing Grid Score Routines...
 Reading the energy grid from grid.nrg
Initializing Hawkins GB/SA Score Routines...
-----------------------------------
Molecule: inno-406_ligand-ch3.mol2
 Elapsed time for docking: 67311 seconds
 Anchors:  3
 Orientations:  1500
 Conformations:  618
 Primary Score
    Grid Score:          -58.790798
           vdw:          -58.790798
            es:            0.000000

Why not I get the GBSA Score?

Thank you!
GuanXin
2009.03.18
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