Parallel atomistic simulations

DOI10.1016/S0010-4655(00)00050-3zbMath1006.81566OpenAlexW1973687577MaRDI QIDQ1578151

Grant S. Heffelfinger

Publication date: 16 March 2003

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(00)00050-3

zbMATH Keywords

protein structuregrand canonicalbonded as well as non-bonded (and charged) interactionsGibbs ensemble Monte Carlomodified Markov chain

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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