Hierarchical Order Parameters for Macromolecular Assembly Simulations. 1. Construction and Dynamical Properties of Order Parameters
نویسندگان
چکیده
منابع مشابه
Variational Properties of Unbounded Order Parameters
Order parameters in physical and biological systems can sometimes become unbounded as the size of an underlying system increases. It is proposed that such a quantity be modeled as a minimizer of the energy functional Iε(u) = − ∫ [ ε2 2 |∇u| − 1 2 log(1 + |u|) ] dx, where u is constrained by a side condition, and ε > 0 is a parameter that is inversely proportional to the linear size of the syste...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2012
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct200574x