[gmx-users] What if the atom number exceed 99999 for Gromacs file?

[Tsjerk Wassenaar]

Hi,

Atom numbers in structure files are not used. Atoms read from a file
are given fresh numbers from 1 through N, where N is the total number
of atoms.

Best,

Tsjerk

On 11/9/06, Viswanadham Sridhara <muta.mestri at gmail.com> wrote:
> I believe, It does not matter.
>
>
> On 11/8/06, WU Yanbin <ywu27 at uiuc.edu> wrote:
> >
> > Hi,
> >      I built up a box of polymer with box size 20x20x20 and then solvate
> the box with water using Genbox. Thus the total atom number exceeds 99999
> and I found that the atom number starts from zero when it exceeds 99999.
> Does it matter for the ongoing command "grompp" and "mdrun"? Thanks.
> >
>                       Yours Sincerely,
> >
>                                    WU
> Yanbin
> >
> > --
> >
> -----------------------------------------------------------------------------------------------------------------------
> > WU Yanbin
> > Department of Mechanical Science and Engineering        Email:
> ywu27 at uiuc.edu
> > 3323 Beckman Institute
>              Phone: (217)819-9064
> > University of Illinois at Urbana-Champaign
> > 405 N. Mathews Avenue
> > Urbana, IL 61801
> >
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>
> --
> Viswanadham Sridhara,
> Research Assistant,
> Old Dominion University,
> Norfolk, Va-23529.
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-- 
Tsjerk A. Wassenaar, Ph.D.
post-doc
NMR, Utrecht University,
Padualaan 8,
3584 CH Utrecht, the Netherlands
P: +31-30-2539931
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