[gmx-users] numbering after 99999SOL

[Nuno Azoia]

I'm guessing that you are using .gro file format.
That's a limitation of the file format. See
http://manual.gromacs.org/online/gro.html

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

Cheers

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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Nuno Gonçalo Azoia Lopes

Rua Nascente, nº 25
4705-473 Escudeiros

Tel: 253 683 198
Móvel: 965 382 487