[gmx-users] pbc=z, applying pbc only along the z-direction

[Sridhar Kumar Kannam]

Hi Gromacs users,

I have a confined system in both x and y directions. Gromacs offer 3
options for pbc=xyz or no or xy. Is there a way we can implement the pbc
only along the z direction ?

As I am using cutoff methods for electrostatistics one way to do this is to
put some empty space (larger than the biggest interaction cutoff) and apply
pbc in all 3 directions. But this would hamper the efficiency due to the
way the domain decomposition is done.

Any better alternatives ?


Thanks.




-- 
Cheers !!!
Sridhar  Kumar Kannam :)