[gmx-users] atoms over 100,000
jalemkul at vt.edu
Thu Oct 9 17:38:52 CEST 2014
On 10/9/14 11:32 AM, Albert wrote:
> thanks a lot for clarification.
> I've got one more question, are the cases the same for plumed.dat file for
> patched PLUMED MD simulation in Gromacs?
Presumably. PLUMED interfaces with Gromacs, so I'd have to assume that
fundamental utilities like index groups have to be used the same way, but having
never used PLUMED, maybe someone else will set me straight if that's not the case.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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