AMBER Archive (2004)

Subject: AMBER: A torsion parameter in AMBER2003 force field

From: Scott E. Boesch (sboesch_at_chemdept.chem.ou.edu)
Date: Fri Oct 08 2004 - 11:23:41 CDT

Amber Users,

There are inconsistent data for the torsion N-C-CT-H0 of Glycine in AMBER
2003 force field. In the paper (Duna et al. Vol 24, No. 16 Journal of
Computational Chemistry), parameters are: 0.5607/180 and 0.0110/0. In the
AMBER force field package, parameters are : 1.0607/180 and 0.0110/0. I am
wondering whether 0.5607 or 1.0607 is correct. Many thanks.

Scott E. Boesch Voice: 405-325-5159
Department of Chemistry Fax: 405-325-6111
University of Oklahoma

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