[lammps-users] Twisting of nanotubes

Dear all,
I want to rotate the upper end of the carbon nanotube while keeping the bottom end fixed so that the CNT will twist in mid. I tried to do with the following input script but I failed to do so. My CNT is not twisting. Please help me.

Attachment: Input script and data file

shearmodulus.in (2.28 KB)

eq.data (148 KB)

Thank you sir. I will go through the paper you suggested and will try the command.

In the paper you have mentioned that “all atoms were constrained radially in the transverse plane to maintain them on the cylindrical surface of a BNNT to simulate the pure twisting condition” under section 2.1.2. How to do that?
And using the command suggested by you, finally, my CNT twist but it’s twisting on the top end and in your video attach with the suggested paper, it’s twisting very nicely. Please help me once again with this. I am attaching my input code.

shearmodulus.in (2.35 KB)