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Frontiers of Computational Science || On the Treatment of Long-range Electrostatic Interactions in Biomolecular Simulations

✍ Scribed by Kaneda, Yukio; Kawamura, Hiroshi; Sasai, Masaki

Book ID
120476407
Publisher
Springer Berlin Heidelberg
Year
2007
Tongue
German
Weight
517 KB
Category
Article
ISBN
3540463755

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✦ Synopsis

This Book Covers The Wide-ranging Scientific Areas Of Computational Science, From Basic Research Fields Such As Algorithms And Soft-computing To Diverse Applied Fields Targeting Macro, Micro, Nano, Genome And Complex Systems. It Presents The Proceedings Of The International Symposium On Frontiers Of Computational Science 2005, Held In Nagoya In December 2005.

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Molecular dynamics simulations of water with Ewald summation for the long range electrostatic interactions
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The use of a partial charge version of the Ewald sum method to treat long range electrostatic interactions in molecular dynamics simulations of water has been investigated. The orientational structure and energetic properties of the liquid have been studied for several choices of Ewald sum parameter

Observations concerning the treatment of
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