Numerical Methods for Calculating the Potential of Mean Force

DOI10.1007/3-540-31618-3_13zbMath1207.82028OpenAlexW11518959MaRDI QIDQ5484144

Eric Darve

Publication date: 24 August 2006

Published in: New Algorithms for Macromolecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/3-540-31618-3_13

zbMATH Keywords

thermodynamic integrationfree energymolecular dynamicsadaptive biasing forcepotential of mean forceblue moon

Mathematics Subject Classification ID

Molecular physics (81V55)

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