[gmx-users] trjconv and missing chain identifier

Una Bjarnadottir una.bjarnadottir at ucd.ie
Fri Mar 2 12:52:56 CET 2007

Dear Users, 

I'm converting trajectory files into .pdb files and when I there is only
one chain in them f.eks. only the  prtotein but not ligand or inhibitor
it does not set any chain identifier to the output .pdb files.  When I
have ligand and inhibitor in them the output will have chains A-B-C.
I tryed whatif but it can't read the big overall file.  

The chain identifier is nessarry in some grafics programs so I really
need this.

Hope you can help, it will be hightly appreciated.

Cheers, Una

Una Bjarnadottir
Conway Institute
Department of Biochemistry
Dublin 4
Phone: +353 (1) 716 6874

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