[gmx-users] MD in Vacuum

[Lara Bunte]

Hello

In all my tutorials for md they investigate a molecule in solution. I want to do md simulations in vacuum and I did not find a good tutorial. So I want to ask you what should I do for a md simulation in vaccum?

I take a molecule, optimize the structure, generate a topology with gromacs and what after this? Do I also have to make a box? what is the procedure?

Thanks for help
Greetings, Lara