pi-pi interaction | iMechanica

Implementation of p-p Interactions in Molecular Dynamics Simulation

Submitted by Azadeh Sheidaei on Wed, 02/22/2012 - 04:26

Dear All,

I want to simulate polymer system that have pi-pi interaction between

chains and reinforcements. I know there is no implemention of pi-pi

interaction in lammps.

So, Is there another method to consider pi-pi interaction in lammps? or

I can't simulate these system by lammps.

Regards,

Azadeh