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. Author manuscript; available in PMC: 2016 Oct 1.
Published in final edited form as: J Phys Chem Lett. 2015 Sep 14;6(19):3834–3840. doi: 10.1021/acs.jpclett.5b01771

Figure 1.

Figure 1

An illustration of the RE-SWHAM algorithm. This drawing illustrates two replica exchange cycles of the RE-SWHAM method, and shows only two thermodynamic states with “grey” or “cyan” color. In each cycle one data element is chosen from each thermodynamic state first, then a replica exchange is performed. In the first cycle since the swap is accepted, the data associated with the two replicas is swapped to the other thermodynamic state’s data array. At the end of each cycle, the data associated with replicas are recorded as the output like explicit RE simulations..