Thermostat groupID

thermostat_groupID sets the group of atoms for which the thermostat will act during the molecular dynamics 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)	thermostat, t_end, optimize_groupID, make_group

Example

make_group = grp1 block 6 2.0 30.0 2.0 30.0 2.0 30.0
thermostat = "berendsen"
thermostat_groupID = grp1