AMBER Archive (2007)

Subject: Re: AMBER: nscm in simulation annealing

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 13 2007 - 14:48:13 CDT

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.

....dac

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