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Re: [lammps-users] intramolecular interactions
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Re: [lammps-users] intramolecular interactions


From: jo jo <jojo412202@...24...>
Date: Fri, 30 Jun 2017 15:00:12 -0400

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

On Fri, Jun 30, 2017 at 2:42 PM, jo jo <jojo412202@...24...> wrote:
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!