Boundary conditions

Dear Lammps Community,

I am dealing with periodic boundary conditions (PBC) and I would like to ask you if it is possible to slightly change them in the following way:

One boundary (1) of the box is obeying periodic boundary condition (example with the molecule A) and the opposite boundary (2) just reflects molecules (example with the molecule B).

(1) (2)

Dear Lammps Community,

I am dealing with periodic boundary conditions (PBC) and I would like to ask
you if it is possible to slightly change them in the following way:

One boundary (1) of the box is obeying periodic boundary condition (example
with the molecule A) and the opposite boundary (2) just reflects molecules
(example with the molecule B).
  (1) (2)
  ___________________
  > >
  > >
  > B-> |
  > B<- |
  ><- A |<- A
  > >
  >__________________|

no, this is not possible. you would create an ambiguity of whether a
particle B is left or right of the reflective wall.
have a look at fix oneway instead. this will give you this kind of
behavior without ambiguities.

axel.

Dear Axel,

Thank you very much for the direction!

Kind Regards,
Evgeniya