[gmx-developers] Gromacs contribution

Vedran Miletić vedran at miletic.net
Mon Jan 22 22:49:03 CET 2018


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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