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

thermostat = "berendsen"
thermostat_group_ID = all
t_beg = 300. # in K
t_end = 300. # in K
tau_t = 100. # in fs