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# test numeric outlev settings 
intelec                              # calculate internal electrostatic energy

# low to high:
outlev -2
outlev -1
outlev 0
outlev 1
outlev 2
outlev 3
outlev 4
outlev 5
outlev 6
outlev 7
outlev 8
outlev 9

outlev 0

ligand_types C HD OA P               # ligand atom type na
fld 1pgp_rec.maps.fld                # grid_data_file
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               # electrostatics map
desolvmap 1pgp_rec.d.map             # desolvation map

move 1pgp_lig.pdbqt                  # small molecule
about 22.894 28.598 40.259           # small molecule center
tran0 22.894 28.598 40.259           # small molecule center

epdb                                 # compute energy of PDBQT specified by 'move'