Replica Exchange Molecular Dynamics

REXMD - is a Replica Exchange Molecular Dynamics program for molecular systems simulations at atomistic level written in C++ using Swarm Particle Intelligence to enhance conformation sampling.


  1. H. Kamberaj, Faster Protein Folding Using Enhanced Conformational Sampling of Molecular Dynamics Simulation, Physical Review E, Under Review, 2017.
  2. H. Kamberaj, Conformational Sampling Enhancement of Replica Exchange Molecular Dynamics Simulations Using Swarm Particle Intelligence, The Journal of Chemical Physics, 143, 124105, 2015.

Screenshot of list of C++ files and their dependencies

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