[gmx-users] Regarding Umbrella sampling

Justin Lemkul jalemkul at vt.edu
Thu Mar 9 04:08:28 CET 2017

On 3/8/17 8:43 PM, Amir Zeb wrote:
> Thanks Justin,
> The current version I'm working on is 5.0.6, and I don't have access to
> update this version. Can you please let me know how to get files compatible
> for this version?

You'll either have to translate the appropriate options to the old syntax:


or upgrade to a current version of GROMACS (a much better and more productive idea).



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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