Here is the description of my problem:
Modeled a Smaller sphere say of approximately 3 nm and used fixed rigid for the atoms.
Made this sphere interact with a rectangle using LJ potential between the sphere and the rectangle.
The simulations ran sucessfully and the results make sense.
But when I tried to model a larger sphere say of approximately 10 nm and used fixed rigid for the atoms, during the simulation, it returned an error “BAD PRINCIPAL MOMENTS”. I would like to know what could be done to overcome this error, as I need to run a case of 30 nm sphere in the future.
Thanks in advance,