Hi gromacs users: I' am trying to run a MD simulation of PlmII+Inhibitor system in cubic box (59002 atoms) with gromacs 4.0.5 on 8 processors, but my simulation crashes. In attach are files.tgz which contains the log (PlmII+PepstatinA_free.log) and error files (BSA.err.%j). However, I can run the simulation without problems in 2 processors (PlmII +PepstatinA_equilibration.log). Can I fix this error setting domain decomposition parameters of mdrun. I going to appreciate any suggestions, -- MC Pedro Alberto Valiente Flores Centro de Estudios de Proteínas Facultad de Biología Universidad de La Habana
files.tgz
Description: application/compressed-tar
-- 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/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/mailing_lists/users.php
