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14
move 1ebg_lig.pdbqt # small molecule
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15
about 17.6465 5.4698 20.1237 # small molecule center
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16
tran0 random # initial coordinates/A or random
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18
dihe0 random # initial dihedrals (relative) or random
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19
tstep 2.0 # translation step/A
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20
qstep 50.0 # quaternion step/deg