[gmx-developers] Gromacs contribution

Marija Baljkas mbaljkas2 at gmail.com
Mon Jan 22 23:38:17 CET 2018

I'm quite comfortable with the code in C/C++ and, of course, with some time
put into it I think i can understand quite well how it fits together.

I'm open for everything to work on but free energy calculations would be
interesting since I've used Gromacs for that before. I guess i will go
through the description of how to contribute on Gromacs site and see what
is there on Gerrit for now :)

Thanks for quick help,

Dana 22. sij 2018. 22:50 osoba "Vedran Miletić" <vedran at miletic.net>
napisala je:


how comfortable are you with C/C++ in terms of reading through existing
code and understanding how it fits together, what style is used, and
where it can be extended? I assume you know how to use a debugger and a
version control system, all other auxiliary steps to contribute are

Second, what would you like to work on? There's a ton of things that
could be extended about free energy, e.g. Thomas Ullmann is working on
multiple lambdas and we at HITS are working on extending lambda code for
reactive molecular dynamics. I assume there are more.

Hope this helps.


22.01.2018 u 22:30, Marija Baljkas je napisao/la:
> Hi,
> First, I would like to introduce myself. My name is Marija and I'm 23
> year old from Croatia. I was searching for an open source project to
> work on in my spare time and Gromacs came to my mind first since I used
> it actively on college. I have masters degree in computational physics
> and my master thesis was mostly about calculations of free energy in
> molecular dynamics. Currently I'm working as a software developer in one
> international company. I would like to improve my knowledge of
> programming and also get to know how Gromacs actually works :)
> I mostly work in C/C++ and sometimes in Java but I'm up for challenge.
> If you have some advice on how to start, please do tell :D
> BR,
> Marija

Vedran Miletić
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