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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Biomolecular NMR, Bijvoet Center
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