# Add kinetic energy (or force) to a small molecule **URL:** \ **Category:** User discussions\ **Created:** [October 4, 2020, 3:26am UTC](https://gromacs.bioexcel.eu/t/add-kinetic-energy-or-force-to-a-small-molecule/903 "2020-10-04T03:26:11Z")\ **Posts on this page:** 2\ **Page:** 1
**Author:** ![ehsan](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ehsan/32/1345_2.png) [@ehsan](https://gromacs.bioexcel.eu/u/ehsan)\ **Post date:** [October 4, 2020, 3:26am UTC](https://gromacs.bioexcel.eu/t/add-kinetic-energy-or-force-to-a-small-molecule/903/1 "2020-10-04T03:26:11Z")
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? Kind regards, Ehsan ![Screenshot 2020-10-03 212351](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/1X/93d03046f6596718c827c113589ef14135fb2472.jpeg) P.S. In the paper that I got the figure from it ([https://doi.org/10.1039/C8CP05436C](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. ---
**Author:** ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)\ **Post date:** [October 5, 2020, 9:33am UTC](https://gromacs.bioexcel.eu/t/add-kinetic-energy-or-force-to-a-small-molecule/903/2 "2020-10-05T09:33:28Z")
Hi, you can look at the following option in mdp file [http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html#non-equilibrium-mda](http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html#non-equilibrium-mda) Maybe there is something fitting to your case. Best regards Alessandra