GROMACS version: 2020.2
GROMACS modification: No
Dear GROMACS users,
I want to add kinetic energy (or force) to a small molecule in a certain direction. A graphical representation can be found below.
Is there any built-in tool to do so?
P.S. In the paper that I got the figure from it (https://doi.org/10.1039/C8CP05436C) they used Materials Studio and add kinetic energy to the small molecules to “exfoliate” the graphene sheets. So I want to reproduce their results.