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- conformer_search_type flex
- write_fragment_libraries no
- user_specified_anchor no
- limit_max_anchors no
- min_anchor_size 5
- pruning_use_clustering yes
- pruning_max_orients 1000
- pruning_clustering_cutoff 100
- pruning_conformer_score_cutoff 100.0
- pruning_conformer_score_scaling_factor 1.0
- use_clash_overlap no
- write_growth_tree no
- use_internal_energy no
- ligand_atom_file LIG
- limit_max_ligands no
- skip_molecule no
- read_mol_solvation no
- calculate_rmsd no
- use_database_filter no
- orient_ligand no
- bump_filter no
- score_molecules yes
- contact_score_primary no
- contact_score_secondary no
- grid_score_primary no
- grid_score_secondary no
- multigrid_score_primary no
- multigrid_score_secondary no
- dock3.5_score_primary no
- dock3.5_score_secondary no
- continuous_score_primary no
- continuous_score_secondary no
- footprint_similarity_score_primary no
- footprint_similarity_score_secondary no
- pharmacophore_score_primary no
- pharmacophore_score_secondary no
- descriptor_score_primary no
- descriptor_score_secondary no
- gbsa_zou_score_primary no
- gbsa_zou_score_secondary no
- gbsa_hawkins_score_primary yes
- gbsa_hawkins_score_secondary yes
- gbsa_hawkins_score_rec_filename REC
- gbsa_hawkins_score_solvent_dielectric 78.5
- gbsa_hawkins_use_salt_screen yes
- gbsa_hawkins_score_salt_conc(M) 0.15
- 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 9
- grid_score_rep_rad_scale 1
- minimize_ligand no
- atom_model all
- vdw_defn_file /path_to/dock6/parameters/vdw_AMBER_parm99.defn
- flex_defn_file /path_to/dock6/parameters/flex.defn
- flex_drive_file /path_to/dock6/parameters/flex_drive.tbl
- ligand_outfile_prefix RESULTSPREFIX
- write_orientations no
- num_primary_scored_conformers_rescored 1
- num_secondary_scored_conformers 1
- rank_primary_ligands no
- rank_secondary_ligands no
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