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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
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Technical report, Center for Research on Parallel Comutation, Rice Unlversity, P.O. Box 1892, Houston, TX 77251-1892, November
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Terry W. Clark, Reinhard v. Hanxleden, J. Andrew McCammon, and L. Ridgeway Scott. Parallelizing molecular dynamics using spatial decomposition. Technical report, Center for Research on Parallel Comutation, Rice Unlversity, P.O. Box 1892, Houston, TX 77251-1892, November 1993.
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A case study in multilingual parallel programming
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L. V. Kalé, Milind Bhandarkar, Robert Brunner, Neal Krawetz, James Phillips, and Aritomo Shinozaki. A case study in multilingual parallel programming. In 10th International Workshop on Languages and Compilers for Parallel Computing, Minneapolis, Minnesota, June 1997.
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Converse: An Interoperable Framework for Parallel Programming
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Honolulu, Hawaii, April
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L. V. Kalé, Milind Bhandarkar, Narain Jagathesan, Sanjeev Krishnan, and Joshua Yelon. Converse: An Interoperable Framework for Parallel Programming. In Proceedings of the 10th International Parallel Processing Symposium, pages 212-217, Honolulu, Hawaii, April 1996.
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NAMD - A parallel, object-oriented molecular dynamics program
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Mark Nelson, William Humphrey, Attila Gursoy, Andrew Dalke, Laxmikant Kalé, Robert D. Skeel, and Klaus Schulten. NAMD - A parallel, object-oriented molecular dynamics program. Intl. J. Supercomput. Applics. High Performance Computing, 10(4):251-268, Winter 1996.
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A portable distributed implementation of the parallel multipole tree algorithm
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AMBER: Assisted model building with energy refinement, a general program for modeling molecules and their interactions
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P. K. Weiner and P. A. Kollman. AMBER: Assisted model building with energy refinement, a general program for modeling molecules and their interactions. Journal of Computational Chemistry, 2:287, 1981.
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Weiner, P.K.1
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