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. 2014 Nov 5;141(17):174902. doi: 10.1063/1.4900657

Table I.

Comparison of free energies obtained for different reference conformations.

Conformationa βF(λ = 0)b βF0(λ = 200) βΔFTI(λ = 0 → 200)
a 308.36(0.16)c 1077.85 769.49(0.16)
b 307.94(0.08) 1076.71 768.77(0.08)
c 308.54(0.07) 1076.45 767.91(0.07)
d 308.10(0.14) 1078.62 770.52(0.14)
a

Cf. Fig. 7.

b

β = (kBT)−1.

c

Values in parentheses represent error (SEM, 5 trials, η = 5 × 105 in each trial).