Fig. 2.

(A) The five-residue peptide studied in this work. The six dihedral angles are marked. (B) The output of the simulated annealing algorithm run separately for different ${\theta }_0$ values (blue circles). The starting value with the trial choice of CV is marked with a magenta-colored star. (C) The trial (magenta) and optimized (blue) mixing coefficients $\left\{c\right\}$ for the six dihedrals. (D) The spectrum of eigenvalues for dynamics projected on the trial (magenta) and optimized (blue) CVs. A distinct improvement can be seen in the spectral gap. Process index i refers to the ith index in the transition matrix.