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(a) Expansion (thin black) and unzipping (thick gray) trajectories projected onto the RMSD vs. NHB surface with the respective TS regions noted. (b) Probability surfaces for both pathways that were determined from Pfold sampling around the relevant free energy barriers, which verify that both are bimodal in nature. Such sampling is analogous to umbrella sampling confined to the region of configurational space directly surrounding the folded and unfolded regimes.
