Dear all, I just upgraded from Gromacs 4.0.2 to 4.0.5. I wanted to re-run some jobs from the previous version to see if there would be any changes in results. I have systems with Ryckaert-Bellemans (type 3) dihedrals and Fourier (type 5) dihedrals. The jobs with type 3 run without a problem, but with type 5 they crash immediately. In the .log file are data only up until the reference citing recommendations.
What might be the problem? Kind regards, Henri Ervasti -- ----------------------------------- Dr. Henri K. Ervasti Delft University of Technology Process & Energy Laboratory Leeghwaterstraat 44 k. 0.30 2628CA Delft Netherlands e-mail: [email protected] phone: +31 (0)15 27 86662 fax: +31 (0)15 27 82460 -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
