[gmx-users] periodic boundary conditions pbc=xyz

[Tsjerk Wassenaar]

Hi Ming,

You have another box in your (infinite) periodic system?

Cheers,

Tsjerk


On Sun, Apr 5, 2015 at 10:32 AM, Ming Tang <m21.tang at qut.edu.au> wrote:

> Dear all,
>
> I did a simulation using periodic boundary conditions pbc=xyz. It turns
> out that the box is defined too small, and some atoms go to another box.
> Does this affect the simulation result? If not, how to display the real
> model (without separation) in VMD?
>
> Thanks in advance,
> Ming
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-- 
Tsjerk A. Wassenaar, Ph.D.