International Journal

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Authors

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen

Journal

Journal of Computational Physics

Year Published

1977

Publisher

Elsevier BV

Citations

21348 citations

Type

Article

Language

EN

Topics & Concepts

Cartesian coordinate system (0.74) Holonomic constraints (0.70) Verlet integration (0.62) Equations of motion (0.60) Constraint (computer-aided design) (0.56)

Abstract

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes - Full text available via OpenAlex

Author Details

Jean-Paul Ryckaert

Giovanni Ciccotti

ORCID

Herman J. C. Berendsen

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