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Original Articles

A Leap-frog Algorithm for Stochastic Dynamics

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Pages 173-185 | Received 01 Apr 1987, Accepted 01 Jul 1987, Published online: 03 Jan 2007

References

  • Cicotti , G. and Hoover , W. G. , eds. Molecular Dynamics Simulation of Statistical Mechanical Systems . Proceedings of the International School of Physics “Enrico Fermi” . Amsterdam : North-Holland . course 97
  • Kubo , R. 1966 . The fluctuation–dissipation theorem . Rep. Progr. Phys. , 29 : 255
  • Ciccotti , G. and Ryckaert , J. P. 1981 . On the derivation of the generalized Langevin equation for interacting Brownian particles . J. Statist. Phys. , 26 : 73
  • Bossis , G. , Quentrec , B. and Boon , J. P. 1982 . Brownian dynamics and the fluctuation–dissipation theorem . Sfoiec. Phys. , 45 : 191
  • van Gunsteren , W. F. and Berendsen , H. J. C. 1982 . On the fluctuation–dissipation theorem for interacting brownian particles . Molec. Phys. , 47 : 721
  • van Gunsteren , W. F. and Berendsen , H. J. C. 1977 . Algorithms for macromolecular dynamics and constraint dynamics . Molec. Phys. , 34 : 1311
  • Berendsen , H. J. C. and van Gunsteren , W. F. Practical algorithms for dynamic simulations 43 – 65 . in [1]
  • Verlet , L. 1967 . Computer -experiments' on classical fluids. I. Thermodynamical properties of Lennard- Jones molecules . Phys. Rev. , 159 : 98
  • Hockney , R. W. and Eastwood , J. W. 1981 . Computer Simulation Using Particles , New York : McGraw-Hill .
  • Beeman , D. 1976 . Some multistep methods for use in molecular dynamics calculations . J. Comput. Phys. , 20 : 130
  • van Gunsteren , W. F. and Berendsen , H. J. C. 1982 . Algorithms for Brownian dynamics . Molec. Phys. , 45 : 637
  • Allen , M. P. 1982 . Algorithms for Brownian dynamics . Molec. Phys. , 47 : 599
  • Åqvist , J. , van Gunsteren , W. F. , Leijonmarck , M. and Tapia , O. 1985 . A molecular dynamics study of the C-terminal fragment of the L7/L12 ribosomal protein: secondary structure motion in a 150 ps trajectory . J. Molec. Biol. , 183 : 461
  • Ermak , D. L. and Buckholz , H. 1980 . Numerical integration of the Langevin equation: Monte-Carlo simulation . J. Comput. Phys. , 35 : 169
  • Allen , M. P. 1980 . Brownian dynamics simulation of a chemical reaction in solution . Molec. Phys. , 40 : 1073
  • Papoulis , A. 1965 . Probability, Random Variables and Stochastic Processes , New York : McGraw-Hill .
  • Van Gunsteren , W. F. , Berendsen , H. J. C. and Rullmann , J. A. C. 1981 . Stochastic dynamics for molecules with constraints: Brownian dynamics of n-alkanes . Molec. Phys. , 44 : 69
  • Ryckaert , J. P. , Ciccotti , G. and Berendsen , H. J. C. 1977 . Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes . J. Comput. Phys. , 23 : 327
  • Berendsen , H. J. C. and van Gunsteren , W. F. 1984 . “ Molecular dynamics simulations: techniques and approaches ” . In Molecular Liquids-Dynamics and Interactions , NATO ASI Series C135 Edited by: Barnes , A. J. 475 – 500 . Reidel
  • Vesely , F. J. 1984 . Algorithms for Mori chain dynamics: a unified treatment . Molec. Phys. , 53 : 505
  • Ciccotti , G. , Ferrario , M. and Ryckaert , J. P. 1982 . Computer simulation of the generalized Brownian motion II. An argon particle in argon fluid . Molec. Phys. , 46 : 875

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