NAMD is computer software for molecular dynamics simulation, written using the
Charm++ parallel programming model. It is noted for its parallel efficiency and
is often used to simulate large systems (millions of atoms). It has been
developed by the collaboration of the Theoretical and Computational Biophysics
Group (TCB) and the Parallel Programming Laboratory (PPL) at the University of
Illinois at Urbana-Champaign.

WWW: https://www.ks.uiuc.edu/Research/namd/