For those interested in classical molecular dynamics (MD) simulation, we've released a new version of LAMMPS, our open-source parallel MD code, which is available for download on the WWW. It has several features which may be of interest to you:
(1) It combines the force fields and features of several of our previous parallel MD codes. Thus it can simulate atomic systems, polymers, metals, proteins or other biomolecules, granular materials, etc.
(2) It's written in C++, and is designed to allow for easy modification and extension, yet preserves the speed and scalability of the earlier F77 & F90 versions.
(3) It's portable to any parallel platform that uses MPI. It also runs on single-processor boxes.
Here are the relevant URLs:
Thanks, Steve Plimpton Sandia National Labs snipped-for-privacy@sandia.gov