[gmx-users] Disulphide bonds

[Cesar Araujo]

Hi,

Anybody knows if there is some way to tell pdb2gmx to recognize automatically S-S bonds and not through the modification of specbond.dat file and -ss option???

Regards,
César.-

-----------------------------------------------------------
Cesar Araujo, Lic. of Chemistry
Department of Molecular Endocrynology
Oulu University Hospital
FIN-90029 OYS, FINLAND

phone: +358 8 3155632
e-mail: cesar.araujo at oulu.fi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.gromacs.org/pipermail/gmx-users/attachments/20060731/dd0843cf/attachment.html