> Vitaly V. Chaban wrote: >> I think the problem is hidden in your water force field model. > > On what basis? The user hasn't provided any information to suggest it's > other than a poorly-conditioned integration.
On the basis of intuition. Most of the known water models behave incorrectly at such high temperatures. Be sure I guessed. :) -- 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
