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

Journal of Computational Chemistry

Volumn 13, Issue 8, 1992, Pages 952-962

  Miyamoto, Shuichi ^a   Kollman, Peter A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84986440341     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.540130805     Document Type: Article

References (20)

1. Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared-memory computers
2. Molecular Dynamics Study of Liquid Water
3. Singularity free algorithm for molecular dynamics simulation of rigid polyatomics
4. Algorithms for macromolecular dynamics and constraint dynamics