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

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 i

[gmx-users] about temperature coupling

Dear gmxusers. I have problems about temperature coupling. Here is my parameter for temperature coupling. ; Berendsen temperature coupling is on in two groups Tcoupl = berendsen tc-grps = System tau_t = 0.1 ref_t = 298 I used "g_traj -f t

Re: [gmx-users] about temperature coupling

Dear Justin and Mark： Thank you for your kind help！I think I figure out the problem Best Regards rtzhang -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search befo