[gmx-users] trjconv and missing chain identifier
una.bjarnadottir at ucd.ie
Fri Mar 2 12:52:56 CET 2007
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
Hope you can help, it will be hightly appreciated.
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