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Comment on “Replica-exchange-with-tunneling for fast exploration of protein landscapes” [J. Chem. Phys. 143, 224102 (2015)]
R. M. Neal, in Handbook of Markov Chain Monte Carlo, edited by S. Brooks, A. Gelman, G. Jones, and X.-L. Meng (CRC Press, 2011), Chap. 5.
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In “Replica-exchange-with-tunneling for fast exploration of protein landscapes” [F. Yaşar et al., J. Chem. Phys. 143, 224102 (2015)], a novel sampling algorithm called “Replica Exchange with Tunneling” was proposed. However, due to its violation of the detailed balance, the algorithm fails to sample from the correct canonical ensemble.
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