Multiple time step diffusive Langevin dy
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Peter Eastman; Sebastian Doniach
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Article
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1998
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John Wiley and Sons
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English
β 292 KB
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We present an algorithm for simulating the long time scale dynamics of proteins and other macromolecules. Our method applies the concept of multiple time step integration to the diffusive Langevin equation, in which short time scale dynamics are replaced by friction and noise. The macromolecular for