[gmx-users] which type of cysteine residue?

Justin A. Lemkul jalemkul at vt.edu
Sat Feb 23 14:52:26 CET 2008

If you use pdb2gmx -ss you can interactively choose whether or not your
cysteines are linked, and pdb2gmx will write the .top file with the correct



> 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
> =================================
> Computational Science & Engineering
> Koc University
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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