Scalable molecular dynamics
نویسندگان
چکیده
منابع مشابه
Scalable molecular dynamics with NAMD
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-end parallel platforms, as well as tens of processors on low-cost commodity clusters, and also runs on individual desktop and laptop computers. NAMD works with AMBER and CHARMM potential functions, parameters, and file formats. This art...
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Molecular dynamics simulations allow us to study the behavior of complex biomolecular systems by modeling the pairwise interaction forces between all atoms. Molecular systems are subject to slowly decaying electrostatic potentials, which turn molecular dynamics into an n-body problem. In this paper, we present a parallel and scalable solution to compute long-range molecular forces, based on the...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2005
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/16/1/040