The GROMOS96 benchmarks for molecular simulation

DOI10.1016/S0010-4655(99)00540-8zbMath0969.92015OpenAlexW2153165415WikidataQ57829873 ScholiaQ57829873MaRDI QIDQ1578106

Alan E. Mark, Wilfred F. van Gunsteren, Alexandre M. J. J. Bonvin

Publication date: 3 October 2001

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(99)00540-8

zbMATH Keywords

molecular dynamicscut-offsextended pairnon-bonded interaction pairs

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

Sampling of conformation space in torsion angle dynamics calculations

Uses Software

• GROMOS

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