Thank you very much all for your consideration and fruitful advices. Regards, Monika
On Wed, 2007-12-05 at 18:15 +1100, Mark Abraham wrote: > Xavier Periole wrote: > > > > Dear Monika, > > > > the setup of a REMD simulation is actually quite straightforward. > > In the following I describe steps that would lead you to have a > > REMD simulation running on a given system. The "success" of the > > simulation will depend entirely on the problem you are addressing > > and the criterion you judge it. Although REMD simulation are > > helping in increasing sampling they do not provide the ultimate > > answer. This should be kept in mind. > > I've added a section on replica-exchange to > http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation which > people may wish to review. > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.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 > _______________________________________________ gmx-users mailing list [email protected] http://www.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
