Re: [AMBER] j-restrained peptide

From: case <case.biomaps.rutgers.edu>
Date: Fri, 17 Dec 2010 14:40:14 -0500

On Wed, Dec 15, 2010, Rossella Noschese wrote:

> Do you think it's possible that the rjcoeff I calculated (that really worked
> well for VAL and that are directly related to the torsional angle from the j
> value without need of passing through +60) give a torsional value that is
> incoherent with the force field?

These are backbone (HN..HA) torsions, so what works for VAL should also work
for ILE, as far as I can see.

....dac


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Received on Fri Dec 17 2010 - 12:00:06 PST
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