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The relative potential energy of the 3-backbone torsional bonds in a capped-β-alanine residue, the color codes are blue (Ψ, RMSD=0.36 kcal/mol), green (θ, RMSD=0.30 kcal/mol), cyan (Φ, RMSD=0.25 kcal/mol). The energies from the quantum calculation (points) overlap the energies (curves) from the AMOEBA MINIMIZE program.
