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SS bonds are not maintaned even with the -cys option

Open andregiuseppecavalli opened this issue 1 year ago • 0 comments

Hi, I encountered a problem with the docking when a disulfide bond is present in the peptide. In many generated poses the bond is broken and the thiol groups are far apart, even when the docking is done specifying the -cys option. Anybody knows how to solve this problem?

Thank you very much

andregiuseppecavalli avatar Apr 17 '24 13:04 andregiuseppecavalli