Gromacs tutorial

[pablo-de-andres]

Similar to the SimLammps tutorial.

However, it would probably be better to fix the wrapper to modify data (not just generate an output branch) before.

[yoavnash]

@harrytodorov, will you have to do it before you leave?

[harrytodorov]

Yes, I can take care of it

[harrytodorov]

/cib

[create-issue-branch]

Branch 9-Gromacs_tutorial created!

[harrytodorov]

I was able to partially complete this issue covering some background, the installation of the wrapper as well as some initial notes on how to run a simulation using the GROMACS simulation engine. Due to the fact, that today's my last day, I won't be able to finish the issue completely.

In the simgromacs.ipynb file, I have left some comments to guide the person, who takes on the task (@pablo-de-andres, @kysrpex and @yoavnash ). I am not quite sure in how much detail though, one should cover the detail behind the wrapper.

[pablo-de-andres]

/cib

[create-issue-branch]

Branch already exists