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. 2014 Jun 12;10(7):2719–2728. doi: 10.1021/ct500504g

Figure 2.

Figure 2

(A) Potential energy, U(x,y), of the model system with Hy = 6 in eq 16. (B) The one-dimensional PMF, Inline graphic, calculated from U(x,y) (black) and the results of 120-ns simulation data from USMD (red), WEUSMD (green), and aWEUSMD (blue) with N = 31 windows. Inline graphic from U(x,y) is calculated by eq 1 and those from simulations are calculated by WHAM.