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

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1

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?

Thanks,
Ashlie

2

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

Jan-Michael