I would not say that you tube rotates so vigorously to be suspicious... The tube is also very small. What about trying a bigger one, e.g. with about 1 000 atoms? It should be more inert, if you'd like it to be such.
> hope this might be useful: > they are top and sideviews > http://www.youtube.com/watch?v=aMMa4o0CzxU > http://www.youtube.com/watch?v=UVksVaHcw8U > http://www.youtube.com/watch?v=xJu3NSkA3gU > http://www.youtube.com/watch?v=cdcyqnPY7D4 So, now the problem becomes why NVE simulation does not preserve system energy. I did not find above what method you used (MDP file) for the LJ interactions. I believe the problem is someplace around this point. -- Dr. Vitaly Chaban -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
