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. Author manuscript; available in PMC: 2019 Sep 17.
Published in final edited form as: J Chem Theory Comput. 2018 Mar 12;14(4):1853–1864. doi: 10.1021/acs.jctc.7b01226

Figure 4:

Figure 4:

The 2D PMF plot of phi and psi backbone dihedrals of alanine dipeptide. The trajectories at σ0P = 1.0 kcal/mol of three 30-ns rex-GaMD simulations were collected to calculate the PMF using cumulant expansion to the second order. (A) and (B) indicate the results from σ0P and threshold energy rex-GaMD simulations, respectively.