[gmx-users] which type of cysteine residue?

[OZGE ENGIN]

Hi all,

I want to make the cysteine residues of my peptide to make a disulphide bridge with each other. So, what type of cysteine residue should I use? There are 4 possibilities. CYS, CYSH, CYS1, CYS2. The last two seems to be the same in respect of atomic charges, bond types but not parameters for dihedral angles. 

Thanks in advance
Ozge Engin
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Computational Science & Engineering
Koc University