[gmx-users] Spatial Orientational Correlation Function g(r)

ayşe K akafali84 at hotmail.com
Mon Jan 11 20:49:27 CET 2016


Dear GMX users,

I need to calculate the spatial orientational correlation function (g(r)) of a system (not orientational time correlation function).
Here, r is the distance between the dipole moments. I did some trials by using g_dipoles but I could not obtain this function.
I want to learn if there is an easy way to obtain this function by using the programs of gromacs or not. If there is,
I'm so pleased if you can share the command line.

Thanks,

Ayse.




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