On the convergence of the SHAKE algorithm
- 1 March 1991
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 62 (2-3) , 336-351
- https://doi.org/10.1016/0010-4655(91)90105-t
Abstract
No abstract availableKeywords
This publication has 8 references indexed in Scilit:
- Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculationsPublished by Elsevier ,2004
- Disorder in the pseudohexagonal rotator phase ofn-alkanes: molecular-dynamics calculations for tricosaneMolecular Physics, 1989
- Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithmThe Journal of Chemical Physics, 1986
- Special geometrical constraints in the molecular dynamics of chain moleculesMolecular Physics, 1985
- Molecular dynamics of rigid systems in cartesian coordinates A general formulationMolecular Physics, 1982
- Algorithms for macromolecular dynamics and constraint dynamicsMolecular Physics, 1977
- Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesJournal of Computational Physics, 1977
- Nonbonded Potential Parameters Derived from Crystalline HydrocarbonsThe Journal of Chemical Physics, 1967