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

Mark Abraham mark.j.abraham at gmail.com
Tue Jul 15 17:39:35 CEST 2014


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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