[gmx-users] mdrun in gromacs 5.0.2

Justin Lemkul jalemkul at vt.edu
Sat Nov 29 19:15:40 CET 2014

On 11/29/14 1:10 PM, marzieh dehghan wrote:
> hi every body
> After installing gromacs 5.0.2, when I write mdrun or gmx pdb2gmx . . . , I
> confronted the following error: command not found but mdrun has been
> installed in /usr/local/gromacs/bin.
> Please let me know how can I correct this error?

You need to configure your environment properly.




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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