Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared‐memory computers
- 1 December 1991
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 12 (10), 1270-1277
- https://doi.org/10.1002/jcc.540121016
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Multi-colour algorithms in molecular simulation: vectorisation and parallelisation of internal forces and constraintsComputer Physics Communications, 1991
- Macromolecular dynamics on a shared‐memory multiprocessorJournal of Computational Chemistry, 1991
- Calculations of a list of neighbors in Molecular Dynamics simulationsJournal of Computational Chemistry, 1989
- Parallel Computers and Molecular SimulationMolecular Simulation, 1987
- Structure of Rhodopseudomonas sphaeroides R‐26 reaction centerFEBS Letters, 1986
- A parallel molecular dynamics strategyJournal of Computational Chemistry, 1985
- On searching neighbors in computer simulations of macromolecular systemsJournal of Computational Chemistry, 1984
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones MoleculesPhysical Review B, 1967