[gmx-users] Re: Extend water layer along negative Z-direction

[Anirban Ghosh]

Hi ALL,

Thanks a lot Chris, Justin and Tsjerk for yor replies.
Actually, my problem is not fully resolved. A portion of the protein tail is outside the water box in the Z direction (coordinate in Z is -35). So as suggested by you when I am issuing the command "editconf -f box.gro -o BOX.gro -box 0 0 -3.5", but after that genbox is giving the error:

Fatal error:
Undefined solute box.
Create one with editconf or give explicit -box command line option

Please can you specify the proper command, so that the water box is extended only in the negative Z direction (to solvate the portion of the protein out of the box)

Regards,



 Anirban GhoshGrade Based Engineer
Bioinformatics Team
Centre for Development of Advanced Computing (C-DAC)
Pune, India



      Explore and discover exciting holidays and getaways with Yahoo! India Travel http://in.travel.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090601/0d11523e/attachment.html>