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[lammps-users] intramolecular interactions
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[lammps-users] intramolecular interactions

From: jo jo <jojo412202@...24...>
Date: Fri, 30 Jun 2017 14:42:17 -0400


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?