[gmx-users] numbering after 99999SOL

Nuno Azoia nazoia at gmail.com
Tue May 14 16:22:21 CEST 2013

I'm guessing that you are using .gro file format.
That's a limitation of the file format. See

If you really need different residue number for each residue, use .g96 file
format instead.


Nuno Azoia

On Tue, May 14, 2013 at 3:08 PM, gromacs query <gromacsquery at gmail.com>wrote:

> Dear All,
> I have a huge system and residue number goes beyond 99999. So when I added
> waters then residue number goes till 99999SOL then again it starts from
> 0SOL. I tried genconf -renumber option but it does not help.
> Though it can be done with small scripting, just want to know if it can be
> done with Gromacs.
> regards,
> JIom
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