• Corpus ID: 14841540

Point-centered domain decomposition for parallel molecular dynamics simulation

@inproceedings{Koradia2000PointcenteredDD,
  title={Point-centered domain decomposition for parallel molecular dynamics simulation},
  author={R. Koradia and M. Billeterb and P. G{\"u}ntertc},
  year={2000}
}
A new algorithm for molecular dynamics simulations of biological macromolecules on parallel computers, point-centered domain decomposition, is introduced. The molecular system is divided into clusters that are assigned to individual processors. Each cluster is characterized by a center point and comprises all atoms that are closer to its center point than to the center point of any other cluster. The point-centered domain decomposition algorithm is implemented in the new program O PALp using a… 

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