RedMD

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RedMD [1] 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. Force fields are based on the elastic network approach and its extensions.

References

  1. ↑ Adam Górecki, Marcin Szypowski, Maciej Dugosz, Joanna Trylska "RedMD - Reduced molecular dynamics package", Journal of Computational Chemistry 30 pp. 2364-2373 (2009)

External links

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