[gmx-users] Contact_Angles_Calculation

[HZJ]

Dear GMX users,


Recently, I want to analyze the contact angle of a gas bubble adsorbed on a surface, during the simulation, 
the bubbule can move freely on the surface. I aim to calculate the contact angle for each frame. Did anyone
do such analysis and suggest a simple way to do it? I read some paper, one method is to calculate the 2D density of the bubble, and then to fit the edges of the curve to a function type and then get the angle. It seems this method is simple only for one frame. Thanks!



Best wishes!


Dr. He