[gmx-users] Lennard Jones and Buckingham potential together in one simulation
narjes.khosravian at chalmers.se
Wed May 3 20:41:18 CEST 2017
Dear gromacs users,
I am trying to use Lennard Jones and Buckingham potential together in one simulation as part of my system is treated by LJ and rest by Buck potential.
My question is that how I can include Lennard Jones parameters in topology file while my [defaults ] was chosen 2 1 to consider Buckingham parameter?
I have created table for buck and LJ.
I greatly appreciate for any guide in this matter.
Department of Physics, Materials and Surface Theory
Chalmers University of Technology
SE-412 96 Göteborg, Sweden
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