NHC_PERIOD
NHC_NCHAINS = [real]
Default: NHC_NCHAINS = 40
Description: Time scale of the Nosé-Hoover chain in terms of the number of MD steps.
NHC_PERIOD sets the time scale () 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.
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. |
Related tags and articles
POTIM, NHC_NCHAINS, NHC thermostat