To extract the force as in the title I used the
gmx trjconv command like below.
gmx trjconv -f alad.trr -s alad.tpr -n alad.ndx -pbc mol -novel -force -o alad.gro
However, the force was not extracted in
Of course, I got the coordinates and the force at equal intervals when getting the
Another way, I used
gmx traj command to get force.
gmx traj -f alad.trr -s alad.tpr -n alad.ndx -pbc -mol -ox coordi.xvg -of force.xvg
However, the force obtained from
force.xvg didn't look like the value I wanted.
So, how do I get the force of molecules put in a single periodic box?