From: David A. Case <>
Date: Sun, 2 Jan 2005 14:35:54 -0800

On Wed, Dec 29, 2004, Alberto p wrote:

> i.) Would it be wise to continue the simulation removing the CM translation
> every 100 ps?


> ii.) How does sander do the recalculation of velocities? Does it remove the
> COM velocity and then rescale according to the temperature or does it do
> something different?

It removes the COM velocities, but does no other rescaling; other aspects of
temperature regulation depend on the value you choose for ntt.


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Received on Sun Jan 02 2005 - 22:53:00 PST
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