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Versatile Object-Oriented Toolkit for Coarse-Graining Applications

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, no. 12 (2009): 3211-3223

Cited by: 288|Views27
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Abstract

Coarse-graining is a systematic way of reducing the number of degrees of freedom representing a system of interest. Several coarse-graining techniques have so far been developed, such as iterative Boltzmann inversion, force-matching, and inverse Monte Carlo. However, there is no unified framework that implements these methods and that all...More

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