[gmx-users] Fatal error!!!!!!!!!!!!!!!!!!!!!

[David van der Spoel]

Marcelo Fabricio Masman wrote:
> Hello,
> I am Marcelo and I am a new user of Gromacs. When I use the programme 
> pdb2gmx the following  fatal error happens:
>  
> *Fatal error: Chain identifier 'S' was used in two non-sequential blocks 
> (residue 7, atom 101)*
> ** 
> The thing is that I am not using "chain indentifiers.
> Could someone help me, please?
look up which residues have chain identifier S

>  
> Thanks a lot
>  
> Marcelo
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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