[gmx-users] Replica Exchange MD using Gromacs
Mark.Abraham at anu.edu.au
Wed Dec 5 08:15:25 CET 2007
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
people may wish to review.
More information about the gromacs.org_gmx-users