[gmx-users] PBC

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Jun 26 16:59:14 CEST 2012

Hey Nilesh,

Distance to where? Just think of your PBC in one dimension as being on a circle.



On Tue, Jun 26, 2012 at 4:26 PM, Nilesh Dhumal <ndhumal at andrew.cmu.edu> wrote:
> Hello,
> I have question about periodic boundary condition. Suppose if one atom is
> going out of the box (x axis distance is more than L/2) and it will come
> inside the box from other side (distance-L).
> Distance before the pbc  should be same or it will be different from center.
> Thanks
> Nilesh
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Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands

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