[gmx-users] s-s bond recognition

Hamid Mahdiuni mahdiuni at gmail.com
Sun Nov 23 14:26:26 CET 2014

Hi everyone
I’m going to run -pdb2gmx on my protein with PDB code of 2O6X. This protein
has three S-S bonds within its crystal structure, but, after running of
-pdb2gmx, only 2 of them recognized as S-S bond. I think that the distance
between S atom of Cys253 and its counterpart of Cys302 is too long to form
S-S bond. What can I do? Can I force these residues to form S-S bond in
.gro file?

Thanks in Advance

Hamid Mahdiuni
Dept. of Biology, Faculty of Science
Razi University
P.O.Box 6714967346
Tel:  +98 831 4274545
Fax: +98 831 4274545
E-mail : mahdiuni at ibb.ut.ac.ir
            mahdiuni at gmail.com

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