SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies

Journal of Computational Chemistry

Volumn 19, Issue 1, 1998, Pages 102-111

  Forester, Timothy R ^a   Smith, William ^a  

^a DARESBURY LABORATORY   (United Kingdom)

Author keywords

Bond constraints; Molecular dynamics simulations; QSHAKE; Semirigid molecules

Indexed keywords

EID: 5244306345     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19980115)19:1<102::AID-JCC9>3.0.CO;2-T     Document Type: Article

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