Syntax:
fix ID group-ID nvt Tstart Tstop Tdamp
Examples:
fix 1 all nvt 300.0 300.0 100.0
Description:
Perform constant NVT integration each timestep using a Nose/Hoover temperature thermostat. V is volume; T is temperature. This creates a system trajectory consistent with the canonical ensemble.
The desired temperature at each timestep is a ramped value during the run from Tstart to Tstop. The Tdamp parameter is specified in time units and determines how rapidly the temperature is relaxed. For example, a value of 100.0 means to relax the temperature in a timespan of (roughly) 100 time units (tau or fmsec or psec - see the units command).
The way that temperature is computed by this fix can be changed by using the fix_modify command.
Restrictions: none
Related commands:
fix nve, fix npt, fix temp/rescale, fix langevin, fix_modify
Default: none