crudockcl.pdbq #macromolecule crudockcl_maps.fld #grid_data_file 120 120 120 0.5 -1 #numxyzpoints,spacing/A,centering_flag 0.000 0.000 0.000 center_of_gridmap CNOH #atom_type_names crudockcl_C.map #atomic_affinity_map 1272653.000 1127.684 12 6 #C-C_non_bond_parameters/Cn,Cm,n,m 610155.100 783.345 12 6 #C-N_non_bond_parameters/Cn,Cm,n,m 588883.800 633.754 12 6 #C-O_non_bond_parameters/Cn,Cm,n,m 1569268.000 1476.364 12 6 #C-S_non_bond_parameters/Cn,Cm,n,m 88604.240 226.910 12 6 #C-H_non_bond_parameters/Cn,Cm,n,m 438950.663 470.175 12 6 #C-Cl_non_bond_parameters/Cn,Cm,n,m 88604.240 226.910 12 6 #C-H_non_bond_parameters/Cn,Cm,n,m crudockcl_N.map #atomic_affinity_map 610155.100 783.345 12 6 #N-C_non_bond_parameters/Cn,Cm,n,m 266862.200 546.765 12 6 #N-N_non_bond_parameters/Cn,Cm,n,m 249961.400 445.918 12 6 #N-O_non_bond_parameters/Cn,Cm,n,m 721128.600 1036.932 12 6 #N-S_non_bond_parameters/Cn,Cm,n,m 75570.000 23850.000 12 10 #N-H_non_bond_parameters/Cn,Cm,n,m 469549.757 491.524 12 10 #N-Cl_non_bond_parameters/Cn,Cm,n,m 75570.000 23850.000 12 10 #N-H_non_bond_parameters/Cn,Cm,n,m crudockcl_O.map #atomic_affinity_map 588883.800 633.754 12 6 #O-C_non_bond_parameters/Cn,Cm,n,m 249961.400 445.918 12 6 #O-N_non_bond_parameters/Cn,Cm,n,m 230584.400 368.677 12 6 #O-O_non_bond_parameters/Cn,Cm,n,m 675844.100 854.687 12 6 #O-S_non_bond_parameters/Cn,Cm,n,m 75570.000 23850.000 12 10 #O-H_non_bond_parameters/Cn,Cm,n,m 162916.727 312.960 12 10 #O-Cl_non_bond_parameters/Cn,Cm,n,m 75570.000 23850.000 12 10 #O-H_non_bond_parameters/Cn,Cm,n,m crudockcl_H.map #atomic_affinity_map 88604.240 226.910 12 6 #H-C_non_bond_parameters/Cn,Cm,n,m 75570.000 23850.000 12 10 #H-N_non_bond_parameters/Cn,Cm,n,m 75570.000 23850.000 12 10 #H-O_non_bond_parameters/Cn,Cm,n,m 2657200.000 354290.000 12 10 #H-S_non_bond_parameters/Cn,Cm,n,m 1908.578 46.738 12 6 #H-H_non_bond_parameters/Cn,Cm,n,m 26293.961 80.3331 12 6 #H-Cl_non_bond_parameters/Cn,Cm,n,m 1908.578 46.738 12 6 #H-H_non_bond_parameters/Cn,Cm,n,m crudockcl_Cl.map 438950.663 470.175 12 6 #Cl-C_non_bond_parameters/Cn,Cm,n,m 469549.757 491.524 12 10 #Cl-N_non_bond_parameters/Cn,Cm,n,m 162916.727 312.960 12 10 #Cl-O_non_bond_parameters/Cn,Cm,n,m 186948.844 221.897 12 10 #Cl-S_non_bond_parameters/Cn,Cm,n,m 1908.578 46.738 12 6 #Cl-H_non_bond_parameters/Cn,Cm,n,m 320959.394 325.036 12 6 #Cl-Cl_non_bond_parameters/Cn,Cm,n,m 1908.578 46.738 12 6 #Cl-H_non_bond_parameters/Cn,Cm,n,m crudockcl_e.map -1. #electrostatic_PE_map crudockcl_f.map #floating_grid