Multilevel Summation for the Fast Evaluation of Forces for the Simulation of Biomolecules

@inproceedings{Hardy2006MultilevelSF,
  title={Multilevel Summation for the Fast Evaluation of Forces for the Simulation of Biomolecules},
  author={David J. Hardy},
  year={2006}
}
The multilevel summation method computes an approximation to the pairwise electrostatic interaction potential and respective forces. The scalar potential is smoothly split into a short-range part computed exactly and a slowly varying long-range part approximated from a hierarchy of grids. Multilevel summation is especially appropriate for the dynamical simulation of biomolecules, because it computes continuous forces that are the gradient of a scalar potential. It provides a unified approach to… CONTINUE READING
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