[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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