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The Implementation of Slab Geometry for Membrane-Channel Molecular Dynamics Simulations

✍ Scribed by Bostick, David; Berkowitz, Max L.

Book ID
118515214
Publisher
Biophysical Society
Year
2003
Tongue
English
Weight
824 KB
Volume
85
Category
Article
ISSN
0006-3495

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πŸ“œ SIMILAR VOLUMES

Parallel molecular dynamics simulation:
Parallel molecular dynamics simulation: Implementation of PVM for a lipid membrane
✍ Zhiwu Fang; A.D.J. Haymet; Wataru Shinoda; Susumu Okazaki πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 English βš– 892 KB

This paper describes a parallel algorithm for Molecular Dynamics simulation of a lipid membrane using the isothermalisobaric ensemble. A message-passing paradigm is adopted for interprocessor communications using PVM3 (Parallel Virtual Machine). A data decomposition technique is employed for the par