Keywords
Cartesian coordinate systemHolonomic constraintsVerlet integrationEquations of motionConstraint (computer-aided design)Numerical integrationClassical mechanicsMolecular dynamicsMotion (physics)Generalized coordinatesDegrees of freedom (physics and chemistry)Dynamics (music)TrajectoryCoordinate systemMathematicsPhysicsMathematical analysisGeometryThermodynamics
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Publication Info
- Year
- 1977
- Type
- article
- Volume
- 23
- Issue
- 3
- Pages
- 327-341
- Citations
- 20895
- Access
- Closed
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Cite This
Jean-Paul Ryckaert,
Giovanni Ciccotti,
Herman J. C. Berendsen
(1977).
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes.
Journal of Computational Physics
, 23
(3)
, 327-341.
https://doi.org/10.1016/0021-9991(77)90098-5
Identifiers
- DOI
- 10.1016/0021-9991(77)90098-5