[lammps-users] how to exclude bonded atoms from non-bond interactions

Hello. We are trying to model polymer chains in which there are both bonded and non-bonded potentials. We want the bonded atoms to interact via the bond potential and the non-bonded atoms to interact via LJ. We have not been able to figure out an efficient way to do this. Any suggestions?


Hi Ashlie,

You can use the special bonds command.
special_bonds 0.0 1.0 1.0
which means remove LJ part for bonded atoms.

Please refer to the documentation for further details