Table 1.

Interaction energy between fCNT and the whole iG, its Gq part, and iM part determined from the very last 4 ns of simulations. The energy is expressed in kJ mol⁻¹.

System	a10	a20	n10	n20
iG	−833	−653	−959	−844
Gq	0	−241	−109	−347
iM	−38	−151	−327	−182