The initial configuration of (9,4)-SWCNT wrapped with three (GT)6 chains was taken from previously reported results. The small molecules were built with GaussView software. We use our own tcl script for making six replicas of each analyte and for combining them with the (GT)6-SWCNT system. All the (GT)6-SWCNT systems with six analyte molecules were solvated and neutralized in 0.1 M NaCl aqueous solution with TIP3P water model, using solvate and ionize VMD plugins, respectively.