Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems

Journal of Computational Chemistry

Volumn 20, Issue 8, 1999, Pages 786-798

  Feenstra, K Anton ^a   Hess, Berk ^a   Berendsen, Herman J C ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

Accuracy of integration; Constraints; Large time scale dynamics; Molecular dynamics; Protein simulation; Time step optimization; Water simulation

Indexed keywords

EID: 0001585978     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199906)20:8<786::AID-JCC5>3.0.CO;2-B     Document Type: Article

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