jalemkul at vt.edu
Tue May 5 20:04:49 CEST 2015
On 5/5/15 12:45 PM, Tammy wrote:
> Dear All,
> I am new user of Gromacs and I am facing with a problem during a Tutorial
> that until now It was not solved.
> The following message appear: "The switching range for PME-Switch should be
> 5% or less, energy conservation will be good anyhow, since ewald_rtol =
> I would like to know if someone could help me with some tips about what I
> need to do.
> The .mdp file is attached.
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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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