[gmx-users] orthorhobmic box??

[Tsjerk Wassenaar]

Hi Priyanka,

You also have to set the -angles between the vectors. Otherwise
editconf assumes a rectangular box.

Cheers,

Tsjerk

On 2/27/07, priyanka srivastava <priyankaps4 at yahoo.com> wrote:
> Dear All,
>
>  Is it correct to use the following command for generating an orthorhombic
> box?
>
>  editconf -box x y z -f test.gro -o final.gro
>
>  test.gro has (0 0 0) as box dimension whereas final.gro has (x y z)
>
>  Eagerly waiting for response,
>  Priyanka S.
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
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