article
Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations
Journal of Computational Physics · 1983 · Vol. 52(1) · pp. 24–34
Hans Christian Andersen✉(Stanford University)
Protein Structure and DynamicsAdvanced Physical and Chemical Molecular InteractionsAdvanced Chemical Physics StudiesVerlet integrationShakeCartesian coordinate systemMolecular dynamicsAlgorithmDynamics (music)Computer scienceConstant (computer programming)Non-equilibrium thermodynamicsClassical mechanics
Citations
3,044
FWCI
0.53
field-weighted impact
References
12
Percentile
60%
vs. same field & year
Citations per year
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References
Singularity free algorithm for molecular dynamics simulation of rigid polyatomics
Molecular Physics · 1977 · 494 citations
A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
The Journal of Chemical Physics · 1982 · 3,939 citations
Algorithms for macromolecular dynamics and constraint dynamics
Molecular Physics · 1977 · 1,734 citations
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Journal of Computational Physics · 1977 · 21,225 citations
Molecular dynamics simulations at constant pressure and/or temperature
The Journal of Chemical Physics · 1980 · 5,653 citations
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Physical Review · 1967 · 9,233 citations
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Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations
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