[gmx-users] change in energy minimization
jalemkul at vt.edu
Mon Nov 10 13:37:03 CET 2014
On 11/10/14 1:17 AM, Indu Kumari wrote:
> Gd morning,
> Check the dt of em.mdp file and vary it accordingly.
dt has no effect in energy minimization, only in dynamics.
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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