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Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD.

Wei JiangJames C. PhillipsLei HuangMikolai FajerYilin MengJames C. GumbartYun LuoKlaus SchultenBenoît Roux
Published in: Comput. Phys. Commun. (2014)
Keyphrases
  • learning algorithm
  • theoretical analysis
  • database