Very interesting. And what FF model did you use for Uranium and how did you generate it?
I think your system is healthy. Vitaly > 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 [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
