In addition to the fixed parameters specified in Section 3.1, the following force field parameters were used: σ S = 1.556, ε S = 3.33, k a = 100/rad 2 , k t = 2.0, θ B,o = 105.5 • , φ B,o = 16.7 • . We chose the torsion force constant of 2.0 on the results of the previous section, in which the heat capacity peak height and width were found to be optimal. As the kinetics of folding for k t = 1.333 are expected to be slower than for k t = 2.0, we chose the stiffer of the two torsion force constants.