MOLECULAR-DYNAMICS SIMULATION ON AN I860 BASED RING ARCHITECTURE
Henk Bekker, Ej Dijkstra, Hjc Berendsen · University of Groningen research database (University of Groningen / Centre for Information Technology) · 1993
Molecular Dynamics (M.D.) simulation is a widely used computational technique to study the properties of many-body (atom) systems. Because the number or particles in these simulations is large, and many time steps are required to cover the minimal time span on which biomolecular processes take place, M.D. simulations or these systems are notoriously CPU time consuming. For this reason, we designed and constructed a parallel computer suited for M.D. simulations. In this article we give an overview of the architecture, the software and new M.D. techniques used.