[gmx-users] How to extend simulation?

Justin Lemkul jalemkul at vt.edu
Tue Apr 4 14:54:56 CEST 2017

On 4/3/17 2:20 PM, ZHANG Cheng wrote:
> Thank you. So if the below is correct, and it will run for 100 ns?
> convert-tpr -s previous.tpr -extend 100000 -o next.tpr
> gmx mdrun -deffnm next -cpi previous.cpt

Have you tried it?



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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