[gmx-users] Writing checkpoint
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
More information about the gromacs.org_gmx-users