[gmx-users] pbc in xy only

[David van der Spoel]

Wael Soliman wrote:
> Hello Every one,
> I want to do a simulation with periodic images just in X and Y planes 
> but not in Z direction, but when I write pbc = xy in the mdp fine it 
> always gives me error saying chosse either xyz or no,
> os is it possible to do periodic conditions in just two planes? and if 
> so how to do it? I will appreciate if any body could help me in this 
> problem,
> thanks for your concern
> 
easiest way is to extend the box on Z direction by a factor of three, 
use pbc=xyz and the right pme geometry.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++