Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

This publication has 11 references indexed in Scilit:

• 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
• Constrained impulsive molecular dynamics
  Molecular Physics, 1981
• Lennard-Jones triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics
  Physical Review A, 1980
• Molecular dynamics simulations at constant pressure and/or temperature
  The Journal of Chemical Physics, 1980
• Algorithms for macromolecular dynamics and constraint dynamics
  Molecular Physics, 1977
• Singularity free algorithm for molecular dynamics simulation of rigid polyatomics
  Molecular Physics, 1977
• Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
  Journal of Computational Physics, 1977
• Study of a central force model for liquid water by molecular dynamics
  The Journal of Chemical Physics, 1975
• Time-Correlation Functions, Memory Functions, and Molecular Dynamics
  Physical Review A, 1970
• Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
  Physical Review B, 1967