On 10/13/15 12:54 PM, thomas knitter wrote:
Hi there,, I also tried to make the simulation picked from it left off. I typed the commands below: gmx convert-tpr -s em.tpr -extend 100 -o tpxout.tpr gmx mdrun -s tpxout.tpr -cpi em.cpt After a short while, it says job is terminated. So what do you suggest I do.
Well, why did the job terminate? What does the .log file tell you? What about stderr/stdout? Nothing here is diagnostic of any GROMACS issue, so it's impossible to provide useful advice.
-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.
