/usr/share/autodock/Tests/1pgp_about_auto_simanneal.dpf is in autodock-test 4.2.6-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 | autodock_parameter_version 4.2 # used by autodock to validate parameter set
outlev 1
intelec # calculate internal electrostatics
seed 28641 1106107140 # seeds for random generator
ligand_types P C HD OA # atoms types in ligand
fld 1pgp_rec.maps.fld # grid_data_file
map 1pgp_rec.P.map # atom-specific affinity map
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
elecmap 1pgp_rec.e.map # electrostatics map
desolvmap 1pgp_rec.d.map # desolvation map
move 1pgp_lig.pdbqt # small molecule
#about 23.407 29.2817 39.8079 # small molecule center
rmstol 2.0 # cluster_tolerance/A
extnrg 1000.0 # external grid energy
e0max 10.0 1000 # max initial energy; max number of retries
cycles 2
simanneal 2
analysis # perform a ranked cluster analysis
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