Molecular Modeling & Simulation - Nano Mahidol - Mahidol University
Molecular Modeling & Simulation - Nano Mahidol - Mahidol University
Molecular Modeling & Simulation - Nano Mahidol - Mahidol University
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<strong>Molecular</strong> Dynamics<strong>Molecular</strong> <strong>Modeling</strong>• Time evolution ofsystems• Structural anddynamical properties• Thermodynamicproperties<strong>Molecular</strong> Dynamics<strong>Molecular</strong> <strong>Modeling</strong>A simulation can be dividedinto 4 phases:• Initialization Phase• Equilibration Process•Production Phase• Analysis of the ResultsPicture from Siegfried Fritzsche
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