Skip to main content
. Author manuscript; available in PMC: 2021 Oct 13.
Published in final edited form as: SIAM Rev Soc Ind Appl Math. 2018 Nov 8;60(4):909–938. doi: 10.1137/16M1104329

FIG. 2.

FIG. 2.

Free energy (black curve) of the alanine dipeptide projected onto the ϕ dihedral angle, with sets A and B indicated. The initial positions of X(0) at ϕ = −58.0° (blue) and ϕ = −91.0° (green) are shown as vertical dashed lines. The free energy is computed from the method presented in Section II A as implemented in [27].