How could I turn on/off the smooth potential in AutoDock4? I need to do two docking. The first one is soft docking with smooth potential and the second is re-docking without the smooth potential.
smooth parameter is an optional keyword and command that changes the smoothing potential. If not provided, the default is 0.5 angstroms by default. Try passing 0 with this keyword in the AutoGrid Parameter File to turn off smoothing potential.
See the AutoDock 4.2.5 documentation for more details.