[gmx-users] pbc on the "xy" direction

OZGE ENGIN OZENGIN at KU.EDU.TR
Mon Mar 10 08:37:34 CET 2008


Hi all,

I am performing an air/water interface simulation and I want to implement anisotropic pbc condition (pbc on the "xy" direction) to my system. 
I have searched the mailing-list but could not find an appropriate answer. In the manual, two options are given for -pbc ("xyz" and "no") .

How can I implement it to my system? I use Gromacs 3.3.1 version.

Thanks in advance
Ozge Engin
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Computational Science & Engineering
Koc University



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