[gmx-users] limitation of no. of atoms in the .gro file

[Sikandar Mashayak]

Thanks Mark. Yes, I meant to ask about the width of the atom number field.
After 99999, I am renumbering the atoms starting with 0 and it works now.

Thanks,
Sikandar


On Tue, Jul 15, 2014 at 9:39 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> No, but there is a limit on the width of the atom-number field. Is that the
> question you meant to ask? :-) In practice, in making such a file, you
> should wrap from 999999 or whatever to 0, because GROMACS only ever checks
> to see that the value changes.
>
> Mark
>
>
> On Mon, Jul 14, 2014 at 10:13 PM, Sikandar Mashayak <symashayak at gmail.com>
> wrote:
>
> > Hi
> >
> > Is there a limitation on number of atoms in .gro file?
> >
> > Thanks,
> > Sikandar
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