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.
________________________________
Be a PS3 game guru.
Get your game face on with the latest PS3 news and previews at Yahoo! Games.
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read
http://www.gromacs.org/mailing_lists/users.php
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
