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 <[EMAIL PROTECTED]> 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
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