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Two-dimensional free energy profiles of backbone dihedrals (Φ, Ψ) in alanine dipeptide calculated from (A) 1000 ns cMD simulation and reweighting of 1000 ns dual-boost aMD simulation using (B) Maclaurin series to the 10th order and (C) cumulant expansion to the 2nd order. (D) The distribution anharmonicity of ΔV of frames found in each bin of (Φ, Ψ) in the 1000 ns dual-boost aMD simulation.
