Dear Users: I have a 500 ns trajectory of 65 GB that gives a floating point exception when I run it through gmxcheck or trjcat (generated and analyzed with gromacs 4.5.5). Has anybody encountered this? I ran mdrun with -append so this is the xtc resulting from months of simulation of a 1,000,000 atom system. If I run trjconv -f md.xtc -b 200000, where the floating point exception occurred around t=180000 ps in gmxcheck, then I can extract the readable frames and repair around the damaged section. Still, I'd rather not lose any data and I had thought that the new default -append option to mdrun checked for these types of problems at runtime.
Thank you, Chris.
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists