"Enabling grand-canonical Monte Carlo: Extending the flexibility of GROMACS ..."

René Pool et al. (2012)

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DOI: 10.1002/JCC.22947

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type: Journal Article

metadata version: 2020-04-01

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René Pool, Jaap Heringa, Martin Hoefling, Roland Schulz, Jeremy C. Smith, K. Anton Feenstra:
Enabling grand-canonical Monte Carlo: Extending the flexibility of GROMACS through the GromPy python interface module. J. Comput. Chem. 33(12): 1207-1214 (2012)

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