[Openchemistry-developers] Interested in GSoC 2018: Molecular Dynamics

[Geoffrey Hutchison]

> Although I have not worked for any large scale project till date, I would love to contribute to some. I am interested in the GSoC, and would like to contribute to your code. I am particularly interested in the project relating to Molecular Dynamics as I found it quite interesting.
> 
> Please let me know what other stuff do I need to be familiar with for contributing to this project. Also, do let me know about some groundwork that I should do before starting this project.


I'll let Marcus Hanwell comment more. The main goals of the MD project are outlined in the wiki - that there are many MD projects (OpenMM, GROMACS, Amber, CHARMM, LAMMPS) that all have different file formats (sigh). We'd like to add support for visualizing MD calculations, but also handling a timeline (e.g., go to frame 105 = 10.5 ps into the simulation), analysis, etc.

You'll definitely want to build Avogadro2 from source:
http://wiki.openchemistry.org/Build <http://wiki.openchemistry.org/Build>

You'll want to look at the application instructions:
http://wiki.openchemistry.org/Applying_to_GSoC <http://wiki.openchemistry.org/Applying_to_GSoC>

And as part of the application, you'll want to submit a small pull request to AvogadroLibs:
https://github.com/openchemistry/avogadrolibs <https://github.com/openchemistry/avogadrolibs>

Hope that helps,
-Geoff

---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoffh at pitt.edu
twitter: @ghutchis
web: https://hutchison.chem.pitt.edu/
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