What do you mean by "convergence"? The point at which the molecule finishes adapting to the system conditions and starts exploring the energy landscape? The point at which it has explored the whole conformational space? Or something else?
On 29 October 2012 10:44, Atila Petrosian <[email protected]> wrote: > Dear all > > I want to know what is criterion of the convergence of the simulation in > the gromacs. > > Any help will highly appreciated. > -- > 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 > -- ====================================================================== Thomas Evangelidis PhD student University of Athens Faculty of Pharmacy Department of Pharmaceutical Chemistry Panepistimioupoli-Zografou 157 71 Athens GREECE email: [email protected] [email protected] website: https://sites.google.com/site/thomasevangelidishomepage/ -- 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
