Description of a Molecular Dynamics Simulation System - AA Scale -

Frédéric Boussinot (1) , Bernard Monasse (1)

1 SET

A Molecular Dynamics system is presented which is based on Java. A reactive programming framework is used for expressing logical parallelism. The way to de ne and implement atoms and molecules is described, with some results of simulations showing the stability of the resolution method.

Mots clés: molecular dynamics; force field; java; OPLS

Domaines: Mécanique statistique [cond-mat.stat-mech]

Frédéric Boussinot, Bernard Monasse. Description of a Molecular Dynamics Simulation System - AA Scale -. 2013. ⟨hal-00773174⟩