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Potential energy maps (DFT and LMP2) for α and γ torsions. (A) Furanose forced to be in South conformation. (B) Furanose in North conformation. (C) Difference (absolute values in kcal/mol) between LMP2 and classical α/γ potential energy maps (values are displayed for sugars in South puckering). (Left) Parm99. (Right) Parmbsc0. Energy values in kcal/mol, and angles in degrees.
