[gmx-users] error in coordinate file

Venky Krishna venky.agas at gmail.com
Sat Feb 23 09:47:54 CET 2008

Carefully check the number of all the molecules listed in your  
topology file [ molecules ] section and verify if that corresponds  
exactly to the number of atoms in your coordinate file. You have added  
some extra atoms/molecules in the topology.

Venky Krishnamani
Dr.Janos K. Lanyi Lab,
D320, Medical Sciences I
University of California, Irvine
Irvine, CA 92697

On Feb 22, 2008, at 11:14 PM, s lal badshah wrote:

> Hi,
> I am new to GROMACS.Currently I am working on a protein.For  
> minimization I prepare file and when I gave the command in the shell  
> the following output comes:
> Fatal error:
> number of coordinates in coordinate file (2a5f_b4ion.pdb, 40183)
>              does not match topology (2a5f.top, 40612)
> Please guide me what path I should follow to correct it.
> Regards,
> lal badshah
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