Figure 3.

One-dimensional PMF of Ala₁₀ along the end-to-end distance of the peptide calculated using ABF (top) and US (bottom). Top graph: no additional restraints (thick, solid line), no restraints with 50 000 fullsamples (thick, dashed line), 8 Å-radial confinement (thin, dashed line), 10 Å-radial confinement plus antihairpin restraint (thin, dotted-dashed line). Bottom graph: no additional restraints (thick, solid line), 10 Å-radial confinement (thin, dashed line), 10 Å-radial confinement plus antihairpin restraint (thin, dotted-dashed line).