[gmx-users] Grompp error

[Alan Dodd]

I think you need to make sure that groups are
mentioned in the correct order in your .top file.  So
if your Cl ions are all at the end, the Cl should be
the last entry in each field.

--- Farid Sa'adedin <fsaadedi at staffmail.ed.ac.uk>
wrote:

> Dear Users,
> 
> I have added Cl ion to my peptide in water system
> pdb and topology files.
> But I have a problem when I run grompp:
> 
> Fatal Error: Atoms in the .top are not numbered
> consecutively from 1.
> 
> The pdb is numbered correctly and I have added the
> the spc.itp and 
> clion.itp to the topology file.
> 
> Any ideas would be appreciated
> 
> Thank you in advance.
> 
> Farid Sa'adedin
> 
> -- 
> Farid Sa'adedin
> Membrane Biophysics Laboratory
> Department of Veterinary Biomedical Sciences
> College of Medicine & Veterinary Medicine
> Royal (Dick) School of Veterinary Studies
> University of Edinburgh
> Summerhall
> Edinburgh EH9 1QH
> SCOTLAND
> 
> 
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