[gmx-users] Help about 2 D periodic boundary condition

[Anton Feenstra]

> I am a newbie for GROMACS. Could you tell me if it is possible
> to do 2 D periodic boundary condition for
>        Coulomb interaction, and Brownian dynamics
>        in the new version of GROMACS?

IIRC, brownian dynamics was already possible for some time.

As for 2D PBC, it depends on what you want in the third direction.
You can for example make a two 'walls' of frozen atoms above and
below your system, or perhaps simply a vacuum boundary. The system
will still be treated in 3D PBC, but the third dimension will not
be relevant.


-- 
Groetjes,

Anton
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|        | Anton Feenstra                                            |
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