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

Erik Lindahl lindahl at cbr.su.se
Fri Feb 2 10:47:54 CET 2007

On Feb 2, 2007, at 8:42 AM, David van der Spoel wrote:

> 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?
> you can use g96 files instead.

...or just restart the numbering of residues or atoms from 1 when you  
hit the column width. This is particularly useful for PDB files, if  
you want to visualize a large system in PyMOL/VMD.



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