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
