Re: AMBER: nscm in simulation annealing

From: David A. Case <>
Date: Fri, 13 Apr 2007 12:48:13 -0700

On Fri, Apr 13, 2007, Hu, Shaowen (JSC-SK)[USRA] wrote:
> There is "RE_POSITION Moving by" messages every nscm step in my output.

This indicates the the coordinates are changed, but the velocities are not
changed. It is still not clear why (or even if) you are seeing differences in
the temperature control depending on what value of nscm you use.


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Received on Sun Apr 15 2007 - 06:07:44 PDT
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