[gmx-users] meta-dynamics in gromacs-4.6

Mark Abraham mark.j.abraham at gmail.com
Wed Jan 16 15:20:25 CET 2013

The GROMACS team has no plans for that. The usual problem here is that
everybody would like every algorithm included, but that developers with
time and experience are scarce :-) It's an open source project though, so
anyone can do whatever they like. We're prepared to consider inclusions to
the main project.

Note that we're doing a major rework of the code base to C++ in the next
year (or more), so people implementing new features may wish to consider
that in their choice to write code :-)


On Tue, Jan 15, 2013 at 2:26 PM, James Starlight <jmsstarlight at gmail.com>wrote:

> Dear Gromacs developers!
> There is well-known plugin plumed which can be used for implementation
> of meta-dynamics simulation if Gromacs-4.5. I wounder to know if it
> possible to include some meta-dynamics options in the new gromacs
> release ( similar to inclusion of essential dynamics sampling in
> previous gromacs versions) ?
> Thanks for attention,
> James
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