RedMD is a an open source software to perform molecular dynamics simulations for coarse-grained models of proteins, nucleic acids and their complexes. Simulations can be carried out in the microcanonical ensemble, with Berendsen and Langevin thermostats, as well as with Brownian dynamics. We provide tools to generate initial configuration and topology from the PDB or PDB XML file formats. Force fields are based on the elastic network approach and its extensions. The code is written in C/C++ languages and the structure/topology of a molecule is based on an XML format.  The software is OpenMP parallelized and available for Linux under the GPL license.

Manual (4.9MB) is available here.

To download the software go to the registration page.

See Changelog for updates and bug fixes.

All questions and suggestions are welcomed at redmd@icm.edu.pl

If you find our RedMD software useful please acknowledge its use by citing:

"Adam Gorecki, Marcin Szypowski, Maciej Dlugosz, Joanna Trylska, RedMD - reduced molecular dynamics package, J. Comput. Chem., 30:2364-2373, 2009"