Re: [AMBER] Improper torsions in NMA

From: David A Case <case.biomaps.rutgers.edu>
Date: Sat, 20 Dec 2014 09:43:45 -0500

On Fri, Dec 19, 2014, Ganesh Kamath wrote:
>
> My question was when one considers CNCO why not define NCCO too ? Why only
> one improper for the
> 4 atoms to keep in plane. Is one definition of improper enough?

Yes: one is enough. The second would just be the same as the first one. LEaP
has rules (based on atom types) to decide which one to keep.

....dac


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Received on Sat Dec 20 2014 - 07:00:03 PST
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