Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems

Josh Fass, David A. Sivak, Gavin E. Crooks, Kyle Beauchamp, Benedict J. Leimkuhler, John D. Chodera. Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems. Entropy, 20(5):318, 2018. [doi]

Abstract

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