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Abstract: Molecular dynamics programs simulate the behavior of biomolecular systems, leading to insights and understanding of their functions. However, the computational complexity of such simulations is enormous. Parallel machines provide the potential to meet this computational challenge. To harness this potential, it is necessary to develop a scalable program. It is also necessary that the program be easily modified by application-domain programmers. (Update)
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BibTeX entry: (Update)
L. V. Kale, R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten. NAMD2 : Greater scalability for parallel molecular dynamics. Journal of Computational Physics, 1998. http://citeseer.ist.psu.edu/kozlowski02quantum.html More
@misc{ kale98namd,
author = "L. Kale and R. Skeel and M. Bhandarkar and R. Brunner and A. Gursoy and
N. Krawetz and J. Phillips and A. Shinozaki and K. Varadarajan and K. Schulten",
title = "NAMD2 : Greater scalability for parallel molecular dynamics",
text = "L. V. Kale, R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz,
J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten. NAMD2 : Greater
scalability for parallel molecular dynamics. Journal of Computational Physics,
1998.",
year = "1998",
url = "citeseer.ist.psu.edu/kozlowski02quantum.html" }
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