A general-purpose coarse-grained molecular dynamics program

DOI10.1016/S0010-4655(02)00271-0zbMath1002.82502WikidataQ126788836 ScholiaQ126788836MaRDI QIDQ1603275

Masao Doi, Fumio Sawa, Tatsuya Shoji, Hiroo Fukunaga, Takeshi Aoyagi, Jun-ichi Takimoto

Publication date: 11 July 2002

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

zbMATH Keywords

molecular dynamicsmacromoleculesimulation programcoarse-grained molecular dynamics programCOGNAC

Mathematics Subject Classification ID

Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (1)

Molecular dynamics simulation of AFM studies of a single polymer chain

Cites Work

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• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations

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