EGO VIII
EGO VIII [1] was developed for the simulation of large molecular systems on parallel computers (under PVM, MPI or PARIX). EGO uses a multiple time step algorithm combined with a structure adapted fast multipole method for the description of long range electrostatics. The method has been demonstrated to scale linearly with the number of atoms in the range of about 40,000 atoms.
References[edit]
- ↑ Markus Eichinger, Helmut Heller, and Helmut Grubmüller "EGO - An efficient molecular dynamics program and its application to protein dynamics simulations", In Rüdiger Esser, Peter Grassberger, Johannes Grotendorst, and Marius Lewerenz (editors) "Workshop on Molecular Dynamics on Parallel Computers" pp. 154-174 World Scientific (2000) ISBN 978-981-02-4232-9