[gmx-users] NMR restrained MD
jalemkul at vt.edu
Wed Sep 11 00:17:46 CEST 2013
On 9/10/13 6:10 PM, Rama Krishna Koppisetti wrote:
> How to convert normal dihedrals to so-called Ryckaert-Bellemans
> potential dihedrals. Is there any script available for that.
Periodic dihedrals and R-B dihedrals have different functional forms. See the
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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