[gmx-users] Replica Exchange MD using Gromacs

[Mark Abraham]

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.

Mark