Free energy profiles of backbone dihedrals Φ and Ψ
in alanine dipeptide calculated by reweighting five independent 20
ns dihedral-boost aMD simulations using (A, B) exponential average,
(C, D) Maclaurin series expansion to the 10th order, (E, F) cumulant
expansion to the 1st, 2nd, and 3rd orders. The free energy profiles
obtained from a 1000 ns cMD simulation are also plotted for comparison.