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 <[email protected]> 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 [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 -- 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
