[gmx-developers] Monte Carlo Simulations

Jared Thompson thompson.jared.79 at gmail.com
Wed Feb 1 01:00:32 CET 2012


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). 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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