[gmx-users] How can i calculate the (ADF)angular distribution of the angles between water molecule water and surface?

[João Henriques]

Dear Rose,

Spamming is not the answer. There have been quite a few threads about this
subject in the recent past. Searching the mailing list before posting is
usually good practice. If then something remains unclear, please feel free
to ask. I remember having quite long discussions with a Dilip H. N. about
this subject (on and off the mailing list).

A simple query fetched 26 results:
https://www.mail-archive.com/search?l=gromacs.org_gmx-users%40maillist.sys.kth.se&q=dilip+h+n+angle&x=0&y=0

Play with the query a bit and it should get you a lot of info on your
problem.

Best regards,
João





On Mon, Sep 10, 2018 at 10:29 AM rose rahmani <rose.rhmn93 at gmail.com> wrote:

> Hi,
> How can i calculate the angular distribution of the angles between water
> molecule water and surface? surface during molecular dynamics simulation?
>  is it possible by GROMACS? gmx gangle?
>
> would you please help me?
>
> To be clear; i refer you to these plots
>
> https://www.researchgate.net/post/How_can_i_calculate_the_ADFangular_distribution_of_the_angles_between_water_molecule_water_and_surface
>
>
> Best regards
>
> Rose
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