On 5/6/14, 4:32 PM, Natalia Alveal F. wrote:
Dear Gromacs users, I am run a dynamics NPT, and this suddenly stops and generates multiples pdb files such as: step3206c_n67.pdb step3206c_n99.pdb this error means?
It crashed. Those are .pdb files that mdrun dumps out as it aborts that you can use to try to sort out what's going on, but FWIW I've never found them terribly useful.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 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.
