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AMBER Archive (2001)Subject: Re: [Amber]: Peptide torsions in Parm99.dat
From: Warren DeLano (warren_at_sunesis-pharma.com)
jim caldwell wrote:
> Those are multi term dihedral functions. I.e. the
Quite correct, but you missed my point. Notice that there are two multiterm
The comments may contain the answer: In both parm94.dat and parm96.dat, we
parm94.dat and parm96.dat
CT-CT-N -C 1 0.50 180.0 -4.
parm99.dat:
C -CT-N -C 1 0.50 180.0 -4.
This looks like a TYPE. "CT-CT-N -C " got changed to a "C -CT-N -C " in
- Warren
Warren DeLano wrote:
> I noticed a puzzling set of parameters for amide torsions in the
> phi,psi,parm94
-- mailto:warren_at_sunesis-pharma.com Warren L. DeLano, Ph.D. Informatics Scientist Sunesis Pharmaceuticals, Inc. 3696 Haven Ave., Suite C Redwood City, CA 94063 (650)-562-3106 fax: (650)-556-8824
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