Hi >Monte Carlo methods in GROMACS 5.0.
Thats cool, when will GROMACS 5.0 be released? Greetings Lara ----- Ursprüngliche Message ----- Von: Michael Shirts <mrshi...@gmail.com> An: Discussion list for GROMACS users <gmx-users@gromacs.org> CC: Gesendet: 18:24 Freitag, 1.Juni 2012 Betreff: Re: [gmx-users] Configurational bias Monte Carlo There's a fair amount of interest for more general support for Monte Carlo methods in GROMACS 5.0. However, there is no any current support for configuration bias Monte Carlo (or any other kind of MC) currently in the code. On Fri, Jun 1, 2012 at 12:10 PM, Benjamin Haley <bha...@purdue.edu> wrote: > Hello, > > I have found the excellent documentation for creating polymer > chains in GROMACS. I want to create several chains and pack > them into a volume, adjusting torsion angles to minimize > interactions with other chains (and self-interaction within a chain). > One method for doing this is the configurational bias Monte Carlo > sampling. Can this (or something similar) be done in GROMACS? > > Thank you! > Ben Haley > Purdue University > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
