[gmx-developers] New to Gromacs development

Mark Abraham mark.j.abraham at gmail.com
Wed Mar 4 17:45:53 CET 2015

Hi Noel,

Welcome! We're all glad to see your interest in hacking on GROMACS and
doing good science with it.

For an immediately useful thing that might align with your learning
interests, some feedback on the new documentation organization (currently
at http://jenkins.gromacs.org/job/Documentation_Gerrit_master/javadoc/, but
shortly to be deployed for the 5.1-beta1 release) would be welcome. There's
a bunch of large holes in both user- and developer-level documentation, and
identifying some areas to document that would be immediately useful to you
would be a good start. Then we might see who's best to work on that :-)


Mark Abraham
GROMACS development manager

On Tue, Mar 3, 2015 at 11:52 PM, Noel Carrascal <noelcjr at hotmail.com> wrote:

>  Hi gromacs developers,
> First, I would like to introduce myself. My name is Noel Carrascal, and
> I got a PhD with professor David Green at Stony Brook University in New
> York.
> My PhD is in Applied Math & Statistics to Computational biology, and I
> worked
> mostly with molecular dynamics simulations.
> I am in the list of contributors to the code of DOCK 6.7, and I have some
> experience
> working with Amber and CHARMM. I made modifications for these two suits
> of programs
> for exclusive use of my former labs; that is, this modifications were
> never part
> of an official release.
> I am very happy to have chosen gromacs because in my limited experience
> with gromacs it seems
> easier than DOCK, AMBER or CHARMM to read and compile the code.
> My most immediate goal is to become more familiar with gromacs before I
> can find
> a way to contribute. Any suggestions are appreciated.
> I look forward to being more involved with the development of gromacs in
> the future.
> Noel Carrascal
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