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

Viswanadham Sridhara muta.mestri at gmail.com
Thu Nov 9 01:16:10 CET 2006


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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