Hello All,
I have a question regarding introducing the potential to CNT in coarse grain modeling such that although it maintain its cylindrical shape it will have the ability to flex. Previously we fixed its shape as Cylinder and it was a rigid Cylinder.
Suppose I have the positions of my beads and I am using spring method.
I appreciate any guidance,
Regards,
Delaram
How you build those is really up to you. I suggest you survey the available literature for approaches build coarse grain CNT models.
One of the models is available as a package in LAMMPS: 6.2. Package details — LAMMPS documentation
For details on that, you need to study the documentation and the associated publications and contact the authors if you have further questions.