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

RuiTing Zhang rtzhang at mail.ustc.edu.cn
Tue Oct 18 10:17:04 CEST 2011

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!~

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