Thank You Justin I run a short equilibration on my system and now I get the checkpoint file.
Simon ________________________________________ Von: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> im Auftrag von Justin Lemkul <jalem...@vt.edu> Gesendet: Donnerstag, 6. Oktober 2016 15:33 An: gmx-us...@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 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
