Twist and Torque

LAMMPS LAMMPS Mailing List Mirror
1

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.

Rajib

2

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.

Steve