[gmx-users] Visualizing non-rectangular boxes

[Ignacio Fernández Galván]

--- chris.neale at utoronto.ca wrote:

> Your trjconv command seems fine. Is config.gro actually a
> dodecahedron?
> $tail -1 config.gro
> 
> Does it look like a dodecahedron?
>     3.02251   3.02251   2.13022   0.00000   0.00000   0.00000    
> 0.00000   1.51125   1.51125
> 
> Or does it look more rectanguar?
>    18.84582  18.63005  22.03044

It is a dodecahedron, as far as I can see. The last line says:

   3.44971   3.44971   2.43931   0.00000   0.00000   0.00000   0.00000 
 1.72486   1.72486


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