[gmx-users] some questions about calculation of dipole ACF

[RuiTing Zhang]

I have been performing MD simulation on electrolyte solution recently. And I want to calculate the dipoles between cation-anion pairs. But I have no clue how to achieve this by gromacs. I also want to know the algorithm for command "g_dipole" about how to cheat a system with both molecules and ions separately. Your advisements will be quite helpful
Thank you very much!~