[gmx-users] Triclinic box output error

[Tsjerk Wassenaar]

Hi Michail,

Can you post the box line (last line from .gro) before and after the
simulation?

Cheers,

Tsjerk

On Thu, Mar 5, 2015 at 12:46 PM, Sevasteiadis, Michail <
michail.sevasteiadis.14 at ucl.ac.uk> wrote:

> Hello,
>
> I run a short-time simulation of a liquid on a crystal surface using
> triclinic box PBC but when it finishes it returns the Y side of the crystal
> in right angle(like cutting it in right angle) while it retains the X and Z
> angles. When checking the pbc box in VMD it's not changed and shows half of
> the Y side out of the box. Any ideas?
>
> Thank you,
> Michail
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-- 
Tsjerk A. Wassenaar, Ph.D.