[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
--
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
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Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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