Parallel Molecular Dynamics Simulations of Biomolecular Systems

Abstract

We describe a general purpose parallel molecular dynamics code, for simulations of arbitrary mixtures of exible molecules in solution. The program allows us to simulate molecular systems described by standard force elds like AMBER, GROMOS or CHARMM, containing terms for short-range interactions of the Lennard-Jones type, electrostatic interactions, covalent… (More)
DOI: 10.1007/BFb0095349

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