Hi gromacs users: I use gromacs 4.5.6 for energy minimization with steepest descent method for ubiquitin pulling simulation with pulling step for applying displacement. For that simulation, I should repeat pulling and minimization process. I need 10^4 pulling step calculation to get fully unfolded structure, but the calculation stops at 503 pulling step with follow error message.
===== Source code file: futil.c, line: 489 File input/output error: abc.edr For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- Sorry! You were supposed to get help about: mpi-abort But I couldn't open the help file: /usr/local/share/openmpi/help-mpi-api.txt: Too many open files. Sorry! -------------------------------------------------------------------------- ===== I open the futil.c line: 489, and that line is as follows. ===== gmx_file(buf); ===== However, I cannot catch what should I change to that line. If you have any ideas, please let me know. Sincerely, Chan -- 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
