Dear Lammps users,
I am doing a poiseille flow of polymers in a rectangular channel.
While equilibrating the initial configuration I have observed some of
the fluid atoms moving out of the walls. The walls atoms are created on a ‘fcc’ lattice.
Since I use the ‘p s s’ boundary condition the fluid atoms are shrink wrapped back into the box.
I have tried to use ‘p f f’ command, but it gives an error ‘Did not assign all atoms correctly’,
the LAMMPS documentation says that this is due to some of the atoms being
out side the non-periodic dimensions. However, the initial coordinates are
well within the box dimensions.
Any comments would be greatly appreciated.