temperature rescaling and canonical ensemble

From: Jan Lipfert (lipfert_at_stanford.edu)
Date: Thu Sep 30 2004 - 23:27:28 CDT


I have a question regarding NAMD's temperature rescaling:

The options rescaleFreq and rescaleTemp lead to periodic temperature
rescaling, but how is this done exactly?
In the literature (i.e. Allen & Tildesley) different methods run under the
name "temperature rescaling", what exactly is NAMD doing under this

Is there a reference about the method?

And finally: Is this kind of temperature rescaling guaranteed to produce a
canonical ensemble? Is there a reference about this, too?

Thanks a lot for your help,

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