npts 40 40 40                        # num.grid points in xyz
parameter_file AD4_parameters.dat         # force field default parm file
gridfld 1pgp_rec.maps.fld            # grid_data_file
spacing 0.375                        # spacing(A)
receptor_types A C HD N NA OA SA S P    # receptor atom types
ligand_types C HD OA P               # ligand atom type
receptor 1pgp_rec.pdbqt              # macromolecule
gridcenter 23.5025 29.4514 39.7838   # xyz-coordinates or auto
# ligand 1pgp_lig.pdbqt                # ligand
smooth 0.5                           # store minimum energy w/in rad(A)
map 1pgp_rec.C.map                   # atom-specific affinity map
map 1pgp_rec.HD.map                  # atom-specific affinity map
map 1pgp_rec.OA.map                  # atom-specific affinity map
map 1pgp_rec.P.map                   # atom-specific affinity map
elecmap 1pgp_rec.e.map               # electrostatic potential map
dsolvmap 1pgp_rec.d.map              # desolvation potential map
dielectric -0.1465                   # <0, distance-dep.diel;>0, constant
