I would like to use lammps to perform QMMM calculations using our
own QM-MM interface.
In order to do that, we need lammps to handle external charges. This means
that at each MD step, the forces on the QM atoms due to the MM point charges
are calculated, as well as the forces on the MM charges due to
interaction with the QM atoms.
Does lammps allows to calculate forces on point charges?
If yes, which is the command to do that?
Thank you all for your willingness,