[gmx-users] Replica Exchange MD using Gromacs
mon_sharma at research.iiit.ac.in
Wed Dec 5 13:48:20 CET 2007
Thank you very much all for your consideration and fruitful advices.
On Wed, 2007-12-05 at 18:15 +1100, Mark Abraham wrote:
> Xavier Periole wrote:
> > Dear Monika,
> > the setup of a REMD simulation is actually quite straightforward.
> > In the following I describe steps that would lead you to have a
> > REMD simulation running on a given system. The "success" of the
> > simulation will depend entirely on the problem you are addressing
> > and the criterion you judge it. Although REMD simulation are
> > helping in increasing sampling they do not provide the ultimate
> > answer. This should be kept in mind.
> I've added a section on replica-exchange to
> http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation which
> people may wish to review.
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