MDynaMix
General purpose molecular dynamics simulation package for molecular liquids, solutions, and interfaces. Supports NVE, NVT, and NPT ensembles with periodic and slab boundary conditions.
Citation
Lyubartsev, A.P.; Laaksonen, A. MDynaMix - a scalable portable parallel MD simulation package. Computer Physics Communications 128, 565-589 (2000). DOI:10.1016/S0010-4655(99)00529-9