[gmx-users] disulphide bonds

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Jun 27 07:36:48 CEST 2008


The only thing I can think of is that you've run pdb2gmx already and
added the termini (adding H1 H2 and H3 for the terminus, which causes
the complaints). Now, you're running pdb2gmx for the second time
(right?) to merge the chains. Next to -ignh you can also try to simply
remove these N-terminal protons pdb2gmx is complaining about.



Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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