[gmx-users] Scaled 1-5 interactions

Borys Szefczyk szefczyk at mml.ch.pwr.wroc.pl
Thu Jun 4 19:31:51 CEST 2009

Dear GROMACS Users,

I would like to use the OPLS force field, but with additional scaling
factor for the Coulomb 1-5 interactions for certain atoms. More precisely,
I want to use the standard 0.5 scaling for Coulomb and LJ 1-4 interactions
and 0.8 scaling factor for Coulomb 1-5 interactions. Is there a way to
do this within the topology file of Gromacs or do I need to modify the code?

Borys Szefczyk

                 REQUIMTE,  &  Molecular Modelling & Quantum Chemistry Group,
  Department of Chemistry,  &  Institute of Physical & Theoretical Chemistry,
       Faculty of Science,  &  Wroclaw University of Technology
       University of Porto  &  http://ichfit.ch.pwr.wroc.pl/people/szefczyk

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