[gmx-users] Number of atoms limitation

Tandia, Adama TandiaA at Corning.com
Wed Jul 14 18:00:04 CEST 2004

Dear All,
When I read the documentation for the .gro file format, I realized that (I hope I'm wrong!)
There is indeed a limitation on the size of the structure you can consider, which limitation 
Of 99999 atoms is introduced by the file read/write format.
If this is true, is there a way around for simulation of condensed phase structures of hundreds 
of thousands of atoms?
<<www.gromacs.org/documentation/ reference_3.2/online/gro.html >>

Warm regards,

Adama Tandia
Modeling & Simulation
Corning INC
Corning, NY 14831 USA
Tel:  607 248 1036
Fax: 607 974 3405

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