[gmx-users] INTRA-molecular disulphide bridges.

[K.A.Feenstra]

Leonardo Manzoni wrote:
> 
> Hi all,
> 
> I have to simulate a small cyclic peptide with a disulphide bridge in it,
> formed by two residues belonging to the same chain.
> It looks like pdb2gmx can form disulphide bridges only between different
> chains. Is there a way to form the disulphide bridge INTRA-molecularly?

It is exactly the opposite: pdb2gmx can *not* make inter-molecular
(between different chains) bonds. I would guess something else goes
wrong.

-- 
Groetjes,

Anton
 _____________ _____________________________________________________
|             | Anton Feenstra       Dept. of Biophysical Chemistry |
|  _   _  ___,| K.A.Feenstra at chem.rug.nl    University of Groningen |
| / \ / \'| | | Tel +31 50 363 4327                    Nijenborgh 4 |
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| \_/ \_/ | | | http://md.chem.rug.nl/~anton        The Netherlands |
|             | "Why, how now, Claudio ! Whence Comes this Restraint|
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