[gmx-users] change in energy minimization

Justin Lemkul 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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