[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
Mon Sep 10 10:28:44 CEST 2018


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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