I'm doing a molecular dynamics simulation of polymer melts and I want to include the effect of a good/bad solvent on the melt. How can this be done?
My simulation models polymers using a bead-spring model and the interactions forces are Lennard-Jones for pair interactions and FENE for bonding forces.
FENE stands for Finite Extensible Nonlinear Elastic. It's a log based elastic force. The potential function used, Lennard Jones + FENE is described here (http://lammps.sandia.gov/doc/bond_fene.html)