Optimize groupID

optimize_groupID sets the group of atoms for which the optimization by Velocity Verlet molecular dynamics algorithm will be performed during the simulation.

Summary

Summary for thermostat_groupID keyword

Required/optional	Type	Accepted values	Default	See also
Optional	String	Any valid group ID	all (for all atoms)	optimizethermostat_groupID, eel_groupID, make_group

Example

make_group = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0

optimize_groupID = grp1