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. Author manuscript; available in PMC: 2009 Dec 8.
Published in final edited form as: J Chem Theory Comput. 2008 Aug 1;4(8):1386–1400. doi: 10.1021/ct800063d

Figure 2.

Figure 2

Temperature distributions between replicas, expressed as average number of replicas at a given temperature. (a) Ala10 with the temperature-dependent force field and (b) 1E0L with the temperature-independent force field, respectively, in the SREM simulation without modification for 10 million steps. The temperature-independent and temperature-dependent runs are placed in the same figure to show that the bias problem that occurred in the old SREM algorithm is caused by the algorithm itself instead of by the assumption that U(Xi+1, Ti) is approximately equal to U(Xi+1, Ti+1)].