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(A) A 2D-PMF as a function of and CEC z coordinate for PT through a hydrophobic nanotube. The zero point of the z-axis is set at the middle of the CNT and the mouth of the tube is around 14.8 Å in the z position. The MFEP is shown as a black curve. (B) Representative configurations at the positions A, B, and C denoted on the 2D-PMF. The most probable hydronium oxygen is shown in green. Hydrogens of water outside the tube are not shown for clarity.
