Projects / PINY_MD

PINY_MD

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.

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