[gmx-users] pdb2gmx

[Uwe Richter]

If it's a crystal structure there might me some residues missing within
one chain. Have you checked this?

Uwe

Pradeep Kota wrote:

> thanks Mr.Larsson..
> but i checked the pdb file for such errors and couldnt find any. there 
> are four chains in my pdb file. and each chain is named separately and 
> all chains are separated by ter tags properly. is there any other 
> possibility of this error?
> thanks again..
> reg.
> tand
>
>  
> On 12/14/05, *Per Larsson* <per.larsson at sbc.su.se 
> <mailto:per.larsson at sbc.su.se>> wrote:
>
>     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.
>
>     Regards
>     /Per
>
>
>     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
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