[gmx-users] Writing checkpoint

Justin Lemkul jalemkul at vt.edu
Tue Dec 8 16:21:06 CET 2015

On 12/8/15 10:17 AM, masoud keramati wrote:
> hi to all
> in the mdrun log file i see "Writing checkpoint, step 47840 at Tue Dec
>   8 18:42:52 2015".
> what means of this Writing checkpoint?

mdrun is writing a checkpoint file. You can use it to extend the run, restart 
after a power outage, etc.



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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