Re: AMBER: about glycam06

From: David A. Case <case.scripps.edu>
Date: Sat, 3 May 2008 16:49:27 -0700

On Sat, May 03, 2008, WANG,YING wrote:

> Some of the specific dihedral interactions have various values,
> like
> CK-CG-CG-N
> , there are three values. Could anybody tell me the difference
> between them? Which one I should use?

You (or rather programs) use all three: this single torsion has three
components (of different periodicities) -- the actual potential is the sum
of all three terms.

...dac

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Received on Sun May 04 2008 - 06:08:02 PDT
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