Dear users,
I would like to know if users can give me a couple of suggestions on how to control large temperature swings of a heavy metal ion like Uranium in solution. The temperature of the metal ion fluctuates considerably and hardly stabilizes--even in the long time limit while the solvent temperature stabilizes easily. The gromacs 'what not to do" list strongly discourages against coupling the ion and solvent to separate thermostats. I would like to know if experienced users can give tips on how to alleviate this problem. -- 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
