[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 ?
Sridhar Kumar Kannam :)
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