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/content/aip/journal/jcp/145/5/10.1063/1.4960187
1.
N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
http://dx.doi.org/10.1063/1.1699114
2.
S. Duane, A. Kennedy, B. J. Pendleton, and D. Roweth, Phys. Lett. B 195, 216 (1987).
http://dx.doi.org/10.1016/0370-2693(87)91197-X
3.
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.
4.
F. Yaşar, N. A. Bernhardt, and U. H. E. Hansmann, J. Chem. Phys. 143, 224102 (2015).
http://dx.doi.org/10.1063/1.4936968
5.
Y. Sugita and Y. Okamoto, Chem. Phys. Lett. 314, 141 (1999).
http://dx.doi.org/10.1016/S0009-2614(99)01123-9
6.
W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996).
http://dx.doi.org/10.1021/ja9621760
7.
G. Bussi, D. Donadio, and M. Parrinello, J. Chem. Phys. 126, 014101 (2007).
http://dx.doi.org/10.1063/1.2408420
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/content/aip/journal/jcp/145/5/10.1063/1.4960187
2016-08-03
2016-12-05

Abstract

In “Replica-exchange-with-tunneling for fast exploration of protein landscapes” [F. Yaşar , J. Chem. Phys. , 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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