Using the TraPPE force field

How does one use the TraPPE force field in LAMMPS? For polymeric simulations.

Brahm Prakash Mishra

NIT Trichy

Find out which styles you need and assing the parameters. How else?


You will also need to find parameters for the bonds from a different force field. LAMMPS will not shake all the bonds on a chain to keep them at a fixed length.