[gmx-users] PBC only on x and y in an NPT ensemble

[Chrisostomos Batistakis]

Dear all

I would like to simulate coarse grained thin polymer films supported on a
wall or a substrate (I don't really mind) but with the one interface to be
free. I would like to do this under NPT conditions.

I would expect that this can only be done by putting pbc=xy, as in the to
the following study:

http://pubs.acs.org/doi/abs/10.1021/ma102567s

but this option is not supported in GROMACS without the usage of walls.

Is there any other way to simulated supported films in GROMACS under NPT
conditions?

Thanks in advance, Tommy