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Free energy profiles (FEPs) for acetic acid along O=C-O-H torsion angle (ϕ) in the gas phase and in solution for both real (λ=0) and dummy (λ=1) states. a) FEPs computed using pA18. b) FEPs computed using A18*. Torsion angle (ϕ) values of 0° represent cis proton configuration, and 180° represent trans proton configuration.
