[gmx-users] procedure for creating an S-S bridge
OZENGIN at KU.EDU.TR
Sun Mar 2 23:16:15 CET 2008
I want to create an S-S bond within my peptide. So, I used the CYSH type cysteine residue and pdb2gmx with -ss option. However, I saw that the S-S bridge was formed between the ARG-CYS pair but not between the CYS-CYS pair.
So, I think -ss option with pdb2gmx is not enough to make this bond. What additional steps do I follow to construct this bond ?
Thanks in advance
Computational Science & Engineering
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