None
No thermostat applied. This is the default if no Thermostat key is present.
Scale
Applies a scaling of the velocities in agreement to the specified temperature. The following options are required for this thermostat
frequency=NSteps
This parameter is optional. If specified, the thermostat will be applied every NSteps, using that step's ensemble temperature and the specified thermostat temperature to compute the scaling factor. If not specified, the thermostat will be applied at every step, using the mean temperature of the ensemble and the specified thermostat temperature to compute the scaling factor.
temperature=Temp
Specifies the temperature of the thermostat, in kelvin. This parameter is mandatory.
Berendsen
Applies the Berendsen thermostat. The following options are required for this thermostat
tau
Specifies the initial tau parameter for the Berendsen thermostat, in femtoseconds (can be changed via Units key).
apply=local|global
Defines the scope of application of the scaling correction, either per-atom-velocity (option local) or on the molecular system as a whole (option global)
temperature=Temp
Specifies the temperature of the thermostat, in kelvin. This parameter is mandatory.
