Vector and parallel algorithms for the m
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John E. Mertz; Douglas J. Tobias; Charles L. Brooks III; U. C. Singh
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Article
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1991
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John Wiley and Sons
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English
⚖ 797 KB
## Abstract A detailed description of vector/parallel algorithms for the molecular dynamics (MD) simulation of macromolecular systems on multiple processor, shared‐memory computers is presented. The algorithms encompass three computationally intensive portions of typical MD programs: (__1__) the ev