[gmx-users] mdrun don't write a checkpoint file

[Menig, Simon]

Thank You Justin
I run a short equilibration on my system and now I get the checkpoint file.

Simon
________________________________________
Von: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> im Auftrag von Justin Lemkul <jalemkul at vt.edu>
Gesendet: Donnerstag, 6. Oktober 2016 15:33
An: gmx-users at gromacs.org
Betreff: Re: [gmx-users] mdrun don't write a checkpoint file




You're doing energy minimization.  There is no checkpointing in EM.

As an aside, you also did not provide accurate information in your previous
message.  You said you were using 5.1 but your .log indicates you are using
2016, and your command line was different.  While it didn't matter here, please
*always* provide accurate information to reach a resolution as quickly as
possible.  Had there been some problem, we would have tried to reproduce it with
5.1, which would have been entirely unproductive.

-Justin

--
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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