Distributed Replica (DR) sampling is a generalized ensemble simulation algorithm wherein sampling occurs amongst a collection of ensembles that are distributed along a predetermined reaction coordinate. During DR, sampling is generated by multiple replicas that each undergo a random walk along this reaction coordinate, weakly coupled by the Distributed Replica potential energy function (DRPE). For a more complete description of DR sampling, see T. Rodinger, P.L. Howell, and R. Pomès, "Distributed Replica Sampling" J. Chem. Theory Comput., 2:725 (2006).
The Distributed Replica Sampling Software Suite (DRSSS) is an implementation of DR sampling. Please read the documentation (in doc/ folder) for more information on its usage.
Distributed Replica is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
Distributed Replica is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with Distributed Replica. If not, see http://www.gnu.org/licenses/.