Figure 8.

Results for alanine dipeptide in vacuum at 300 K. Weight-tempered random sampling as a landmark selection scheme for a WT-MetaD simulation (γ = 5) biasing (Φ, Ψ). (a) In the first two panels, we show the reference FES in the (Φ, Ψ) space and the points sampled during the simulations. In the subsequent panels, we present the 4000 landmarks selected for different values of the α parameter. (b) In the bottom row, we show the results projected on Φ, where the reference FES is shown in light blue. The projections (black) are calculated as a negative logarithm of the histogram of the selected landmarks.