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René Pool, Jaap Heringa, Martin Hoefling, Roland Schulz, Jeremy C. Smith and K. Anton Feenstra Enabling grand-canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module Journal of Computational Chemistry 33

Version of Record online: 28 FEB 2012 | DOI: 10.1002/jcc.22947

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