[lammps-users] Force shifted LJ potential

Hi, Steve and all users,

I am using lammps to simulating polymer chains, and I have a question
about the force field. Thanks in advance!

In lammps, the command “pair-modify shift yes” can be used to shift LJ potential
to 0.0 at its cutoff, however, sometimes force shifted LJ potential is necessary, so
my question is that whether lammps implemented force shifted LJ potential. BTW,
the LJ part of FENE potential should also be changed.

Best regards!

I think your question was answered yesterday ... someone posted a sample
force-shifting routine. For FENE, the LJ portion of the bond potential
is cutoff at 2^(1/6) so both the energy and force are already going
to 0 at that distance.