[gmx-users] Fatal error:Chain identifier

[Mark Abraham]

On 29/12/2010 10:12 PM, ahmet yıldırım wrote:
> Dear users,
>
> ab at ubuntu:~/Desktop/3O87$ pdb2gmx -f 3O87.pdb -water tip3p
>
> Select the Force Field:
> 5: OPLS-AA/L all-atom force field (2001 aminoacid dihedrals)
>
> Fatal error:
> Chain identifier 'A' was used in two non-sequential blocks (residue 
> 710, atom 54 49)
>
> What should I do to correct this error?

Look at the entries whose chain identifier is A, and see why they are 
non-sequential, and take suitable action to remedy. You may need to 
Google for the PDB file format if you don't already understand it.

Mark

>
> Thanks in advance
>
> -- 
> Ahmet YILDIRIM