compute_grids yes grid_spacing 0.3 output_molecule no contact_score no energy_score yes energy_cutoff_distance 9999 atom_model a attractive_exponent 6 repulsive_exponent 12 distance_dielectric yes dielectric_factor 4 bump_filter yes bump_overlap 0.75 receptor_file ../1_struct/rec_charged.mol2 box_file rec_box.pdb vdw_definition_file ../../../parameters/vdw_AMBER_parm99.defn score_grid_prefix grid