Table 1. Composition of the Systems.

	ref (8)	pure IL	pure IL	pure IL	ions	neutral	small	large
box	50 Å	50 Å	50 Å	50 Å	50 Å	50 Å	40 Å	70 Å
replicas	5	6	3	3	3	3	3	6
period	50 ns	50 ns	50 ns	50 ns	50 ns	50 ns	50 ns	50 ns
ensemble	nVT	nVT	nVT	npT	npT	npT	nVT	nVT
pxr variation	no	no	no	no	no	no	yes	no
pxi variation	no	no	no	no	no	no	yes	no
probability correction	yes	yes	yes	no	no	no	yes	yes
c variation	no	no	yes	no	no	no	no	no
species
Im1H+	150	150	150	150	500	0	26	147
OAc–	150	150	150	150	500	0	17	93
Im1	350	350	350	350	0	500	40	217
HOAc	350	350	350	350	0	500	40	217
HPTSH3–	0	0	0	0	0	0	3	18
MeOH	0	0	0	0	0	0	702	3765