[gmx-users] How to create S-S bond

kinshuk at chem.iitb.ac.in kinshuk at chem.iitb.ac.in
Thu May 8 12:44:55 CEST 2008


Dear sir,
  I want to create S-S bond between two cys in a peptide chain
irrespective of
 the conformation of the peptide. I tried this using an option -ss as flag
in pdb2gmx but it failed to create S-S bond. since, S-S ditance was more
in free cysSH cysSH, but i want to bring them together to form S-S bond.
Plz tell me so that i could  solve my problem?





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