Ewald summation techniques in perspective : a survey

  title={Ewald summation techniques in perspective : a survey},
  author={Abdulnour Y. Toukmaji and John A. Board},
The simulation of large macromolecular systems has been and remains a challenging problem. There is a general presumption that simulations carried in periodic boundary conditions (PBC) are often the most appropriate to suppress boundary effects. To this end, Ewald summation has been employed to handle long ranged interactions in PBC. There has been a great deal of research targeted at improving the efficiency of Ewald summation, an O(N 2) algorithm in its traditional tbrmulation, where N is the… CONTINUE READING


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