[gmx-users] Contact_Angles_Calculation

[Michael Shirts]

I believe the last line of the paper is: "We have made the code used
for this analysis available on the GitHub site:
https://github.com/shirtsgroup/droplet-analysis."

On Thu, Jan 21, 2016 at 10:02 PM, HZJ <1047334406 at qq.com> wrote:
> 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
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.