[gmx-users] atoms over 100,000

Justin Lemkul 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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