[gmx-users] Potential energy
jalemkul at vt.edu
Sun Feb 21 21:20:15 CET 2016
On 2/21/16 3:15 PM, mohammad r wrote:
> Hi everybody,
> Is it correct to say the potential energy after energyminimization should be negative and in the order of 105-106 ?according to gromacs tutorial:
As a broad generalization, but strictly speaking, that's not always true. A
comparable protein in a similarly sized box will probably have something on that
order, but that is by no means an absolute rule.
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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