Algorithm Incorporation into MD Codes for Dissemination of Results

There is also interest among other groups to incorporate our algorithms into their codes: the NIH Resource for Macromolecular Modeling and Bioinformatics at the University of Illinois, has incorporated a MOLLY method developed by us, and our mutual collaboration will continue. Also, Dr. Godehard Sutmann at the Forschungszentrum Jülich in Germany is interested in incorporating both our integrators and fast electrostatics algorithms to study thermodynamic properties of hydrogen-bonded systems, and hydrodynamic interactions of atomic systems. These problems require very long MD simulations and thus, symplectic multiscale integrators are a good choice. See letters of support.