[gmx-users] pdb2gmx not recognizing disulfides

Mark Abraham mark.abraham at anu.edu.au
Sun Jul 1 10:45:58 CEST 2007


> Hello,
>
>     I'm having problems with pdb2gmx not recognizing disulfides in my
> protein. I've tried chaning the residue name and -ss flag but neither
> works.
> I read that this was a known bug on the website. Does anyone have a fix
> for
> this?

Did you use specbond.dat correctly?
http://wiki.gromacs.org/index.php/specbond.dat

Mark




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