PINY_MD is a multipurpose, object-oriented
molecular simulation package. PINY_MD is capable
of performing a wide variety of molecular
dynamics, electronic structure, and geometry
optimization calculations. Such capabilities
include force-field based ("classical")
simulations on system ranging in complexity from
simple molecular liquids (e.g., water, ammonia,
liquid alkanes) and crystals (e.g., ice) to large
biomolecular systems such as the HIV-1 protease in
solution.
