A highly portable parallel implementatio
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James J. Vincent; Kenneth M. Merz Jr.
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Article
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1995
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John Wiley and Sons
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English
⚖ 673 KB
We have implemented a portable parallel version of the macromolecular modeling package AMBER4. The message passing paradigm was used. All message passing constructs are compliant with the Message Passing Interface (MPI) standard. The molecular dynamics/minimization module MINMD and the free-energy p