Dear Lammps User,
I am actually working on simulation of Discotic molecules using gay
berne model in confinement.
I defined the region of confinement as an infinite cylinder using a 9-3
Lennard Jones potential as wall.
In this case, the computation of the potential applied to the particle
is only dependent of the center of mass distance to the wall and
irrespective of the orientation of the director to the wall surface.
However in a second approach, I would change the surface anchoring of
the molecules.
I did not find any clue in Lammps manual to do this easily and looking
to the fix_wall_lj93.cpp file, it does not seem that a simple way exist.
Is there any trick to force lammps to use a defined pair style as wall
potential ?
Or should I create a new fix_wall_lj93 subroutine to calculate an
orientation dependent wall potential ?
In the latter case, could someone experienced in Lammps and C++ help me
to properly create such wall potential ?
Thanks in advance.