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I. A Description of
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Classical Macromolecular Simulation
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A Note on Notation
Simulating Biomolecules: The Three Necessary Ingredients
To simulate the dynamics of a macromolecule, we need to specify three things:
Subsections
I. A Description of the Structure
II. Initial Coordinates
III. An Empirical Energy Function: Free Energy vs. Potential Energy
Peter J. Steinbach 2010-11-15