Re: AMBER: Protein Rotation

From: Bill Ross <>
Date: Tue, 11 Nov 2003 08:06:33 -0800 (PST)

> ... used carnal to determine RMS
> for each residue, but my protein is rotating during the MD, so I have a great
> discrepancy in the values. Is there a way that I could remove the effect of
> the rotation when doing the calculation?

Use FIT with your RMS statement.

Bill Ross

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Received on Tue Nov 11 2003 - 16:53:00 PST
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