Force Evaluation, Integrators, and Propagators1

  title={Force Evaluation, Integrators, and Propagators1},
  author={Robert D. Skeel},
Presented here is a guide to selected algorithms deemed to be useful for a subset of calculations needed for biomolecular simulations. It is beneficial to make a clear distinction between what we want to compute (model) and how we compute it (method). What we compute is the more important consideration, and this is reviewed in Section 2 under the heading… CONTINUE READING