> Dear all, > At times during the md run of my peptide, the run crashes and I get the > following error displayed - > > "Wrote pdb files with previous and current coordinates > Wrote pdb files with previous and current coordinates > MPI process rank 0 (n0, p3089) caught a SIGSEGV. > MPI process rank 1 (n0, p3090) caught a SIGSEGV."
We'll need more information from the output to be sure, but I suspect if you look just before this part of the logfile, you'll see LINCS errors, indicating you probably haven't minimized or equilibrated well enough. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
