[gmx-users] pdb2gmx

Per Larsson per.larsson at sbc.su.se
Wed Dec 14 13:06:33 CET 2005

Check your pdb-file using a text editor of some sort.
Probably you have the same chainID for some residues with another (or 
possibly none) chain ID in between. All residues belonging to the same 
chain need to have the same chain identifier.


Pradeep Kota wrote:

> hi
> i'm new to gromacs
> pdb2gmx gives an error
> i have a two subunit protein
> pdb2gmx says
> fatal error : use of same chain marker A in non sequential residues
> and it displays the atom number also.
> i checked the pdb file and the two domains are file and i visualised 
> them using rasmol. wat do i do?
> thanks for any help
> tand
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Per Larsson
PhD Student
Stockholm Bioinformatics Center
+46 (0) 8 55378577
+46 (0) 733 461467
per.larsson at sbc.su.se

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