AMBER Archive (2005)

Subject: Re: AMBER: least square fit of snapshots in md trajectory to a reference frame

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 01 2005 - 10:51:21 CDT

On Fri, Jul 01, 2005, Ye Mei wrote:
>
> Can anyone tell me how to superimpose snapshots in md trajectory to a
> reference frame with least-square fit method? Is there any software that can
> help to do this?

See the "rms" command in ptraj.

...dac
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