[gmx-users] Regarding Gromacs compatibilty
jalemkul at vt.edu
Fri Dec 4 13:35:32 CET 2015
On 12/3/15 4:42 AM, Subhomoi Borkotoky wrote:
> I would like to know whether it is possible extend a simulation ran with
> gromacs 4.6 in gromacs 5. If it is possible, what is the procedure?
The same as it's been for many years. The commands in 4.6 and 5.0 are the same.
The bigger question is why is such a large difference in version necessary to
simply extend a run?
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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