Polymer with different bead sizes

Hi all,

I want to simulate a polymer chain with two different bead sizes. I have used atom_style hybrid, but gives me an ERROR: Incorrect atom format in data file (…/atom.cpp:822).
I can’t figure out the error in my data file. Please help me.

This are my input script & data file:

Your data file is consistent with atom style bond, but not with hybrid bond sphere. The documentation for read_data explains in great detail how to correctly enter the Atoms section for hybrid styles. There is no point in repeating it here.

That said, your setting of the diameter property is not going to have any effect, since you are not using any potential that includes that property. The Lennard-Jones potential treats all particles at point particles and the effective size of these particles is represented in the potential parameters directly (see a text book on the properties on that potential).


Thank you for the clarification.