Re: [AMBER] Trajectory Smoothing

From: Bill Ross <>
Date: Thu, 15 Apr 2010 07:47:22 -0700 (PDT)

> I find that smoothing all the residues results in
> unwanted geometric distortions

If you energy minimize each frame of the smoothed trajectory,
this should clean it up.

> So I am looking at smoothing selected residues.

I doubt that is possible with current software.


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Received on Thu Apr 15 2010 - 08:00:02 PDT
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