[gmx-users] No velocity and transitional kinetic energy calculated from gmx traj

[Bui, Tai]

Dear Gromacs users,

I want to calculate velocity and transitional kinetic energy of one molecule (CH4 united atom) during the simulation. I tried to use gmx traj, however it gave me 2 output files without any results for the velocity and the energy I wanted. The command I did is:

gmx traj -f out.trr -s input.tpr -ov v.xvg -ekt etrans.xvg

I don't know what I did wrong here. Do you have any suggestion? I appreciate your help!

Thank you,

Tai