On 8/7/13 2:09 PM, Golshan Hejazi wrote:
Hello everyone,
I am doing single point energy calculation for a certain configuration of a
molecule using rerun option of gromacs. But in the energy output, there is no
Energy term related to BOND.
Do you know why?
Are you using constraints?
-Justin
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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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