[gmx-users] gmx rdf (Angular Dependence)

[Farag, Hossam Mostafa Abdelhamid Mostafa]

Hi,

In the 2020.1 Release of Gromacs Documentation, it is written in page 486 the following:

"With gmx rdf (page 135) it is also possible to calculate an angle dependent rdf g_AB(r, theta), where the angle theta is defined with respect to a certain laboratory axis e, see Fig. 5.50 B"

However, when I go to "gmx rdf" command, I can't find any options to compute the anisotropic distribution.

I only found an option called -xy, which I am not sure how to use if this is the one relevant to what I am looking for.

Looking forward for your help.
Many thanks!
Hossam Farag
Graduate Research Assistant

Beckman Institute for Advanced Science and Technology
University of Illinois at Urbana-Champaign
3614 Beckman Institute
405 N. Mathews Ave.
Urbana, IL 61801
217.418.3196 | hfarag2 at illinois.edu

[cid:e3f6c7fd-050f-4257-b3e1-c9207270e649]