Accelerated entropy estimates with accelerated dynamics

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Abstract

Accelerated dynamics is applied to entropy calculations on a set of toy and molecular systems and is found to enhance the rate of convergence. © 2007 American Institute of Physics.

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APA

Minh, D. D. L., Hamelberg, D., & McCammon, J. A. (2007). Accelerated entropy estimates with accelerated dynamics. Journal of Chemical Physics, 127(15). https://doi.org/10.1063/1.2794754

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