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A particle swarm optimization approach for hexahedral mesh smoothing

✍ Scribed by A. Egemen Yilmaz; Mustafa Kuzuoglu


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
927 KB
Volume
60
Category
Article
ISSN
0271-2091

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Optimization of parameters for molecular
✍ Mark J. Abraham; Jill E. Gready πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 551 KB

## Abstract Based on our critique of requirements for performing an efficient molecular dynamics simulation with the particle‐mesh Ewald (PME) implementation in GROMACS 4.5, we present a computational tool to enable the discovery of parameters that produce a given accuracy in the PME approximation