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Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD

Wei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux. Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD. Computer Physics Communications, 185(3):908-916, 2014. [doi]

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