[gmx-users] octahedral box

[T.A.Wassenaar]

Hi Phuong,

In gromacs the trunc. octahedron is represented as its 
corresponding triclinic box. Standard methods for 
calculating the minimal distance can be used (there's no 
special method for different boxes). Try g_mindist

Cheers,

Tsjerk

On Wed, 22 Jun 2005 11:36:27 +0200 (MEST)
  Nguyen Hoang Phuong <phuong at theochem.uni-frankfurt.de> 
wrote:
> 
> Dear All,
> 
> I used the octahedral box for simulations. In the data 
>analysis I have to
> calculate the distance between an atom of solute and 
>atoms of water. Does
> anyone know a reference (or code) to deal with the 
>minimum image
> convention for this kind of box?
> 
> Thanks in advance,
> 
> Phuong
> 
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