Figure 3.

(Top) Prior (potential) energy landscape chart. (Bottom) Posterior energy landscape chart at β = 1, for a nested sampling simulation of protein G using K = 20,000 and m = 15,000. (Left axis) The energy is shown in units of RT, and the width of the chart is proportional to the sum of the prior (top) and posterior (bottom) weights of the nested sampling points below the given energy level (shown on the right axis). The prior energy landscape chart shows the potential energy surface and the posterior energy landscape chart shows, for a given temperature, the probabilities of finding conformations from the different basins. At β = 1 (room temperature), only funnel 1 is accessible. The scaling function used for the prior energy landscape chart is exp(−fE) (with f being 0.1, 0.4, and 0.7 on the top, middle, and bottom panels of the prior energy landscape chart, respectively). Example conformers from the main basins, at various energy levels, are shown on the charts.