intramolecular interactions

Hello,

I would like to turn on 1-4 interactions in a polarizable (drude oscillator) co2 model in lammps. I read in the lammps manual that using the Thole damping function turns on intramolecular interactions regardless of what is written in special bonds, is my understanding correct in this? Are all intramolecular interactions (1-2, 1-3, 1-4, etc) turned on by the Thole damping function? Or only certain ones?

Thanks!

Additionally, how does the ‘delete_bonds atoms multi’ command affect the ‘special_neighbors’ command? Does it also turn off intramolecular interactions?

Hi.

You can easily test this by looking at the thermo output

thermo_style custom step epair

Arun