On 9/10/13 6:10 PM, Rama Krishna Koppisetti wrote:
Hi,
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
manual.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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