Temperature rescaling parameters

NAMD allows equilibration of a system by means of temperature rescaling. Using this method, all of the velocities in the system are periodically rescaled so that the entire system is set to the desired temperature. The following parameters specify how often and to what temperature this rescaling is performed.

• rescaleFreq $\langle$ number of timesteps between temperature rescaling $\rangle$
  Acceptable Values: positive integer
  Description: The equilibration feature of NAMD is activated by specifying the number of timesteps between each temperature rescaling. If this value is given, then the rescaleTemp parameter must also be given to specify the target temperature.

• rescaleTemp $\langle$ temperature for equilibration (K) $\rangle$
  Acceptable Values: positive decimal
  Description: The temperature to which all velocities will be rescaled every rescaleFreq timesteps. This parameter is valid only if rescaleFreq has been set.