AMBER Archive (2008)

Subject: Re: AMBER: about glycam06

From: David A. Case (case_at_scripps.edu)
Date: Sat May 03 2008 - 18:49:27 CDT

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu