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

From: "Sridhar,S Arun Srikant" <ss3763@...1685...>
Date: Fri, 30 Jun 2017 20:31:41 +0000


You can easily test this by looking at the thermo output 

thermo_style custom step epair


From: jo jo <jojo412202@...24...>
Sent: Friday, June 30, 2017 1:42:17 PM
Subject: [lammps-users] intramolecular interactions

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?