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

Sridhar Kumar Kannam srisriphy at gmail.com
Wed Sep 24 03:45:32 CEST 2014

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 ?


Cheers !!!
Sridhar  Kumar Kannam :)

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