[gmx-users] more than 5 digits of the number of atoms and residue

Yang Ye leafyoung81-group at yahoo.com
Fri Feb 2 07:40:12 CET 2007

The residue or atom number in .gro is merely a label in GROMACS or other 
visualization software. They need to be different between adjacent atom 
or residue. GROMACS uses the atom number on top to know how many atoms 
inside one .gro. You shall know that the residue number and atom number 
in topology files doesn't have the limit.

On 2/2/2007 8:54 AM, Cherry Y. Yates wrote:
> Dear GROMACS users and developers,
> In the .gro files, there are only 5 digits reserved for the atom number and
> residue number. But if I have more than 1 million atoms or residues, may I just
> increase the column number from 5 to 6? I guess not, then how to simulate such
> system?
> Thanks,
> Cherry
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