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

rose rahmani rose.rhmn93 at gmail.com
Wed Sep 12 10:09:34 CEST 2018


On Mon, 10 Sep 2018, 12:58 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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