VMD-L Mailing List

From: OZGE ENGIN (OZENGIN_at_KU.EDU.TR)
Date: Fri Feb 29 2008 - 13:30:01 CST

Hi all,

I perform a simulation of a 24-residue peptide at air/water interface. While I am looking at the trajectory, I see that there is an unusual bond (long bond) between the cysteine and arginine residue. However, I have another cysteine residue but it does not make any bond with any other residue.Both residues are charged.

What may be the reason?
Ozge Engin
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Computational Science & Engineering
Koc University