Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Miyamoto, Shuichi; Kollman, Peter A.

doi:10.1002/jcc.540130805

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Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Author(s): Shuichi Miyamoto , Peter A. Kollman

Publication date Created: October 1992

Publication date (Print): October 1992

Journal: Journal of Computational Chemistry

Publisher: Wiley-Blackwell

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Title: Journal of Computational Chemistry

Abbreviated Title: J. Comput. Chem.

Publisher: Wiley-Blackwell

ISSN (Print): 0192-8651

ISSN (Electronic): 1096-987X

Publication date Created: October 1992

Publication date (Print): October 1992

Volume: 13

Issue: 8

Pages: 952-962

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DOI: 10.1002/jcc.540130805

SO-VID: 2125f983-f2e3-4fa9-939e-408c48bf10dc

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