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Adiabatic energy surface in degrees for alanine dipeptide in vacuum calculated with the polar hydrogen representation. The locations and the energies of the two significant minima are: (φc7eq,ψc7eq) = (−77°,87°), Ec7eq = −43.30 kcal/mol; (φc7ax,ψc7ax) = (60°,−70°), Ec7ax = −41.31 kcal/mol. The area between the dashed lines defines the macrostate Ωc7ax (see text).
