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The CAPDYN environment and its message-passing library implementation

✍ Scribed by Loïc Prylli


Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
937 KB
Volume
23
Category
Article
ISSN
0167-8191

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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