Re: [AMBER] problem in "re-image" and "unwarp"

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 10 Mar 2014 11:52:26 -0400

On Mon, Mar 10, 2014, Thomas Cheatham wrote:

> If I could, I would RMS fit to the first frame the
> anchor, but RMSd rotates the box so this will kill imaging. Ideally, I
> would figure out how much in X,Y, and Z the anchor has moved and then
> translate back or do an RMS fit without rotation (which I do not think is
> possible at present...

There is indeed a "norotate" option to the rmsd command in recent versions
of cpptraj....

...dac


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Received on Mon Mar 10 2014 - 09:00:03 PDT
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