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Free energy profile as a function of the overlap Q at the folding temperature T = 0.237 (lower panel). The vertical lines mark the boundaries of the Folded (0.78 < Q < 0.90), Transition State (0.53 < Q < 0.61), and Unfolded (0.30 < Q < 0.47) ensembles. The upper panel shows the typical temporal evolution of the overlap in a subinterval of a simulation at folding temperature. The overlap was sampled every 5 × 103 time-steps.
