[gmx-users] Lennard Jones and Buckingham potential together in one simulation

[Narjes Khosravian]

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.

Narjes


 Narjes Khosravian
 Postdoc Researcher
 Department of Physics, Materials and Surface Theory
 Chalmers University of Technology
 SE-412 96 Göteborg, Sweden