[gmx-users] Incomplete ring
zou.you at live.com
Fri Jun 18 15:11:08 CEST 2010
Hi again,Thank you, I added missing atoms with emacs, but my question is this ring doesn't have to be complete and if I add missing atoms with HIS680's name, I change its structure. Is it true?
> Hi Users,
> I have a .pdb file, in this file when I want to use pdb2gmx command
> there is this error massage:
> Fatal error:
> Incomplete ring in HIS680
> this aminoacid is not complete in general, I don't know how can I
> complete this such that I don't add HIS for complete? Please give me a hint.
add the missing atoms with emacs (or another text editor). Then minimize.
> Thank you
Hotmail: Free, trusted and rich email service.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users