[Dock-fans] Problems with Grid
00159496 at ufrgs.br
00159496 at ufrgs.br
Wed Dec 17 05:07:41 PST 2008
Hi,
I'm havind some problems with grid
grid -i grid.in
__________________Job_Information_________________
launch_time Wed Dec 17 10:33:32 2008
host_name unknown
memory_limit -1
working_directory /home/carla/teste_dock6
user_name carla
________________General_Parameters________________
compute_grids no
output_molecule no
WARNING get_parameters: No processing requested. Execution terminated.
The parameters in grid.in file are:
compute_grids no
grid_spacing 0.3
output_molecule no
contact_score no
contact_cutoff_distance 4.5
bump_filter no
bump_overlap 0.75
energy_score no
energy_cutoff_distance 10
atom_model u
attractive_exponent 6
repulsive_exponent 12
distance_dielectric yes
dielectric_factor 4.0
receptor_file rec_charged.mol2
box_file rec_box.pdb
vdw_definition_file ../../../parameters/vdw_AMBER_parm99.defn
score_grid_prefix grid
I used the parameters written in tutorial. I don't know what happened.
Thanks,
Carla
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