Desmondュータシミュレーションアトランタジョージア
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Desmond is a suite of computer programs for carrying out molecular dynamics simula‐ tions. Such simulations model the motion of a collection of atoms — a chemical system —
Understand and predict key properties of systems with fast, accurate molecular dynamics. Desmond is a GPU-powered high-performance molecular dynamics (MD) engine for simulating biological systems such as small protein, viral capsids, protein-ligand complexes, small molecules in mixed solvents, organic solids, and synthetic macromolecular complexes.
Learn how to convert Desmond MD trajectory to different formats using the trj tool or the trjconv script.
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