hi,
I will try to address this issue this week.
> - If not, I don’t mind adding it. I would just appreciate a little
guidance to get started so that I can find the few modules I need to modify
and follow as best the code’s philosophy.
For the future development, you can read the (outdated) developer guide
here: https://amber-md.github.io/pytraj/latest/developer_guide.html
But you can always open a new issue about "HOW" question in here:
https://github.com/Amber-MD/pytraj/issues
cheers.
Hai
On Mon, Feb 25, 2019 at 10:54 AM Antoine MARION <amarion.metu.edu.tr> wrote:
> Dear Amber Community,
>
> I finally decided to port some of my scripts to pytraj (v2.0.3) and
> judging from my early trials I feel like it is going to be very powerful.
> However, I faced a first little issue when calculating distances with
> PBCs: i.e., minimum image is not applied and the “image” option seems to be
> ignored.
>
> A quick look in the code lead me to a TODO regarding this feature, so here
> are my questions:
>
> - I am sure that you are all very busy, but is there any chance that this
> feature will be added in the near future?
>
> - If not, I don’t mind adding it. I would just appreciate a little
> guidance to get started so that I can find the few modules I need to modify
> and follow as best the code’s philosophy.
>
> Thanks in advance.
>
> All the best,
> Antoine
>
> ____________________________
> -- Dr. Antoine MARION
> Assistant Professor
> Doktor Öğretim Üyesi
>
> Department of Chemistry
> Middle East Technical University
> 06800, Ankara, Turkey
>
> Office: O-310
> Email: amarion.metu.edu.tr <mailto:amarion.metu.edu.tr>
> Phone: +90 312 210 51 44
>
> _______________________________________________
> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Feb 25 2019 - 09:00:03 PST
