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. Author manuscript; available in PMC: 2014 Jan 24.
Published in final edited form as: J Phys Chem B. 2013 Jan 10;117(3):750–762. doi: 10.1021/jp3080578

Table 3.

Comparison of the approximations to E¯+loge-βE¯/β for the alanine dipeptide (units of kcal/mol).

Ωc7eq Ωc7ax ΔΩc7ax→Ωc7eq
Exact 2.34 2.27 0.07
Direct 2.96 2.97 −0.01
Cumulant 4.80 4.72 0.08