MD Simulation of a Phospholipid Bilayer

Ralf Schmelter and Alfons Geiger
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Ralf Schmelter: Universität Dortmund, Physikalische Chemie
Alfons Geiger: Universität Dortmund, Physikalische Chemie

A chapter in High Performance Computing in Science and Engineering ’99, 2000, pp 212-228 from Springer

Abstract: Abstract We report first results of a molecular dynamics simulation of a fully hydrated dipalmitoyl-sn-glycero-phosphatidylcholin (DPPC) bilayer using the NγT-ensemble. Because of the large size of the simulated system, a parallel version of the simulation package MOSCITO [1] has been developed, which employs a dynamic loadbalancing algorithm to ensure uniform workload among the processors.

Keywords: Molecular Dynamic Simulation; Alkyl Chain; Mean Square Displacement; Phospholipid Bilayer; Additional Communication (search for similar items in EconPapers)
Date: 2000
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59686-5_18

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DOI: 10.1007/978-3-642-59686-5_18

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