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I’m conducting research using GROMACS on a bilayer with a composition similar to LNP.
I constructed the system by placing the bilayer at the center of the system along the z-axis and filling above and below with the tip3p water model.
I obtained the potential.xvg file for the system through the following command.
gmx potential -f md.gro -s md.tpr -d z -o potential.xvg -d z -correct -sl 200
However, I would like to calibrate the information from potential.xvg to zeta potential for comparison with the experimental zeta potential results.
Please suggest me to how can I calculate zeta potential.
Thank you.