Twist and Torque

Dear Lammps user,

I am trying to twist a nanotube at one end by using rotate command about z-axis as nanotube is aligned in z-direction in its length.

I like to print the torque due to increasing twist in a particular group of atoms in the nanotube.

Would anyone please advise me how to print the quantity of twist vs. torque for simulation.

Looking forward to your help.


The variable command lets you ask for the torque on a
group of atoms. So you can easily print the torque as
the simulation runs. You are specifying the twist via
the fix move rotate command.