GROMACS version:
GROMACS modification: Yes/No
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I’m conducting research using GORMACS on a bilayer with a composition similar to lipid nanoparticles(LNPs)
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 -n index.ndx -o potential.xvg -d z -correct -sl 200
however, I would like to calibrate the data from ‘potential.xvg’ to zeta potential for comparison with the experimental zeta potential results.
Please suggest to me how can I calculate the zeta potential.
Thank you