## Abstract We describe two algorithms for the parallel calculation of a CHARMm‐like force field in macromolecules. For a molecule with a given number of atoms, we show that there is an optimal number of processors leading to a minimum computation time. At the optimum, both the number of processors
Parallel algorithm for molecular dynamics integration
✍ Scribed by Roman Trobec; Izidor Jerebic; Dušanka Janežič
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 519 KB
- Volume
- 19
- Category
- Article
- ISSN
- 0167-8191
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