Potential energy and kinetic energy

User discussions
1

GROMACS version: 5.1.2
GROMACS modification: No
Hello
Is it possible to obtain the potential energy between pairs of water molecules over time?
Is it possible to obtain the kinetic energy of each water molecule?

2

Hi,

You can use gmx energy for kinetic and potential energy:
https://manual.gromacs.org/current/onlinehelp/gmx-energy.html