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Faunus: An object oriented framework for molecular simulation

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Figure

Figure 1Graphical class hierarchyGraphical class hierarchy. Schematic representation of class inheritance used for the container class
Figure 4 shows – in 50 lines of code – a complete MC pro-gram for simulating the protonation state of a protein ina salt solution at a given pH value
Figure 3Graphical analysisGraphical analysis. Lysozyme interacting with a fab-fragment – a simulation containing more than 340 amino acid residues as well as salt particles

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