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. Author manuscript; available in PMC: 2019 May 31.
Published in final edited form as: J Phys Chem B. 2018 Mar 9;122(21):5567–5578. doi: 10.1021/acs.jpcb.7b11830

Figure 2.

Figure 2

Cartoon of the two H-bonding models used in the calculations. a) The zipper model has a single reaction coordinate n that describes the number of H-bonds formed. Bonding begins on the left and progresses toward the right. The molecule unbinds when n = 0. b) In the two-dimensional model bonds can be broken at either end of the chain. A configuration is described using two reaction coordinates; x is the number of broken H-bonds on the left, and y is the position of the last formed H-bond on the right. The molecule unbinds when x = y and the fully bound state is when x = 0, y = L.