[gmx-users] pdb2gmx problem

[Justin A. Lemkul]

abhijit kayal wrote:
> Hello everyone
> I am going to analysis the PDB file  3GJN.pdb.After giving the pdb2gmx 
> it shows the fatal error
> 
> "chain identifier 'B' was used in two non-sequential blocks (residue 
> 404, atom 3227)".So what is the solution for this.
>                  

The error message is quite clear, even telling you where the problem is!

Make sure chain identifiers are continuous.  Have you inserted or deleted 
anything?  Dealing with ligands or co-solvents that might be arranged oddly?

-Justin

>                    Thank you
>                                                                          
>                    Abhijit
> 
> 
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-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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