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RedMD


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OS: Linux

License: GPL





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.

It provides 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 parallelized with OpenMP and MPI and available for Linux under the GPL license.

http://bionano.icm.edu.pl/software/redmd



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