Table 2.

Free energy differences ΔA and standard errors of alchemical transformation for systems b1, b2 and b3 by using TI, IT-TI and sesTI methods.

Method	ΔA [kcal mol−1]
	b1	b2	b3
TI-01	−0.04±0.01	0.24±0.01	0.69±0.01
TI-02	−0.04±0.01	0.19±0.01	0.70±0.01
TI-03	0.03±0.01	0.27±0.01	0.67±0.01
TI-04	0.01±0.01	0.40±0.01	0.70±0.01
TI-05	0.00±0.01	0.27±0.01	0.68±0.01
TI-06	0.02±0.01	0.26±0.01	0.71±0.01
TI-07	−0.06±0.01	0.14±0.01	0.71±0.01
TI-08	−0.02±0.01	0.11±0.01	0.69±0.01
TI-09	−0.04±0.01	0.11±0.01	0.70±0.01
TI-10	0.01±0.01	0.24±0.01	0.72±0.01
TI-11	0.03±0.01	0.18±0.01	0.70±0.01
TI-12	0.00±0.01	0.16±0.01	0.69±0.01
IT-TI	−0.01±0.01	0.21±0.02	0.70±0.00
sesTI/Eq. (4)	0.01±0.01	−0.03±0.03	−0.03±0.09
sesTI/Eq. (5)	0.02±0.01	0.05±0.03	0.11±0.23