unit cell problem

Rizwan Nabi rizwan... at gmail.com
Tue Jun 16 14:56:17 UTC 2015

Hi all

There is a little problem with unit cell, as my complex is not well within 
the unit cell only a part of it is within cell boundaries while rest of the 
molecule is outside the boundaries. Is there any way to keep molecule in 
the center of the cell so that  whole molecule is within finite 
boundaries(abc) such that I can carry forward periodic boundary condition 
in cp2k.

Here I am attaching snapshot of my system with cell.



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