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?
Regards,
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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