[gmx-users] GLY dihedrals in amber03 family force fields
jalemkul at vt.edu
Wed Oct 29 14:07:44 CET 2014
On 10/29/14 8:42 AM, Tomek Wlodarski wrote:
> Thanks Justin.
> Yes I know that GLY does not have CB :) that is why I was perplexed with
> this - especially it is both in amber03 and amber03w files...
Yes, very weird, especially since amber03.ff is included in the Gromacs
distribution. I am surprised that no one has noticed this before. It's also
the only one of the AMBER force fields to explicitly define [dihedrals] in the
.rtp file. I'll file a bug report so this can be fixed. Thanks.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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