[gmx-users] Contact_Angles_Calculation

[HZJ]

Thanks. I have come across this paper. It introduce how to calculate this angle. No code is provided with this
paper. Can they share this code? I use a smooth surface.


Best wishes!





------------------ Original ------------------
From:  "Michael Shirts";<mrshirts at gmail.com>;
Date:  Fri, Jan 22, 2016 11:40 AM
To:  "Discussion list for GROMACS users"<gmx-users at gromacs.org>; 
Cc:  "gromacs.org_gmx-users"<gromacs.org_gmx-users at maillist.sys.kth.se>; 
Subject:  Re: [gmx-users] Contact_Angles_Calculation



See:

http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.5b00842

For a study using GROMACS.  They code can be downloaded (though it
might not be trivial to use).

On Thu, Jan 21, 2016 at 6:32 PM, HZJ <1047334406 at qq.com> wrote:
> 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
> --
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