Paper
DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package

https://doi.org/10.1016/S0263-7855(96)00043-4Get rights and content

Abstract

DL_POLY_2.0 is a general-purpose parallel molecular dynamics simulation package developed at Daresbury Laboratory under the auspices of the Council for the Central Laboratory of the Research Councils. Written to support academic research, it has a wide range of applications and is designed to run on a wide range of computers: from single processor workstations to parallel supercomputers. Its structure, functionality, performance, and availability are described.

References (28)

  • W. Smith

    Molecular Graphics

    (1987)
  • W. Smith et al.

    Comput. Phys. Commun.

    (1994)
  • W. Smith et al.

    Comput. Phys. Commun.

    (1994)
  • J.P. Ryckaert et al.

    J. Comput. Phys.

    (1977)
  • B. Vessal

    J. Non-Cryst. Solids.

    (1994)
  • D.J. Evans et al.

    Comput. Phys. Rep.

    (1984)
  • W. Smith

    Comput. Phys. Commun.

    (1991)
  • D. Fincham et al.

    J. Phys. Condens. Matter.

    (1993)
  • W.F. van Gunsteren et al.

    Groningen Molecular Simulation (GROMOS) Library Manual

    (1987)
  • S.J. Weiner et al.

    J. Comput. Chem.

    (1986)
  • J.H.R. Clarke et al.

    J. Chem. Phys.

    (1986)
  • M.P. Allen et al.

    Computer Simulation of Liquids

    (1989)
  • I.G. Tironi et al.

    J. Chem. Phys.

    (1995)
  • B. Vessal et al.

    Mol. Simul.

    (1990)

    • Cited by (0)

    View full text
    Copyright © 1996 Published by Elsevier Inc.