On 6/20/15 11:04 AM, Zhang, Cheng wrote:
Dear GROMACS expert, (Relevant files can be found at https://copy.com/7DMkn6OxJBqEZtqh) I still encountered error of "Floating point exception(core dumped)" when running "g_rms -s md_0_1.tpr -f md_0_1.xtc" on my Ubuntu. In the prompt, it stopped and showed the error when it came to 20 ns: ... ... Reading frame 1700 time 17000.000 Reading frame 1800 time 18000.000 Reading frame 1900 time 19000.000 Reading frame 2000 time 20000.000 However, in my another repeat simulation, it could successfully run "g_rms -s md_0_1.tpr -f md_0_1.xtc" based on another md_0_1.xtc file. So I think there is something wrong with this .xtc file. Could someone please help me identify the problem?
What does gmx check tell you about the contents of the problematic .xtc file? It's probably corrupted.
-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.
