[gmx-users] Regarding Gromacs compatibilty

Justin Lemkul jalemkul at vt.edu
Fri Dec 4 13:35:32 CET 2015

On 12/3/15 4:42 AM, Subhomoi Borkotoky wrote:
> Hello,
> 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


More information about the gromacs.org_gmx-users mailing list