[gmx-developers] Monte Carlo Simulations

Szilárd Páll szilard.pall at cbr.su.se
Wed Feb 1 01:27:44 CET 2012

On Wed, Feb 1, 2012 at 1:18 AM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> On 1/02/2012 11:00 AM, Jared Thompson wrote:
> Hi All,
> There has been some discussion in the past with regards to developing a
> Monte Carlo integrator for the gromacs platform. I recently downloaded and
> poked through 4.5.5 and I can't find anything in it that looks like a MC
> integrator function (I'm thinking of do_md).
> There's nothing to do with MC in the main branch. I'm not aware of an active
> project elsewhere.

It looks like somebody is working on it, but the information might be
out of date (last edit of the page was in 2010 September):



> Mark
> Does anyone have an update on that or what? Does anyone feel like helping me
> develop a nice MC scheme in Gromacs?
> ~j
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