NHC_PERIOD

NHC_PERIOD = [real]
Default: NHC_PERIOD = 40

Description: Time scale of the Nosé-Hoover chain in terms of the number of MD steps.

NHC_PERIOD sets the time scale ( $\tau$ ) of the Nosé-Hoover–chain thermostat NHC_thermostat. It is expressed in terms of the number of MD steps and must be interpreted in combination with the time step set by POTIM. The setting NHC_PERIOD=0 corresponds will generate the NVE ensemble.

Tip: The value of NHC_PERIOD should correspond to a characteristic time scale in the system. If this is unknown, NHC_PERIOD should be set to a value between 20 and 200.

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