[gmx-users] (no subject)

[Justin A. Lemkul]

Sven Benson wrote:
> Hello everybody,
> I was wondering if the gro file format somehow supports systems that are 
> greater than 99999 molecules (not atoms), since the first column is 
> fixed to size 5.
> 
> Anybody know a way around this problem? I've tried working with pdb, but 
> GROMACS seems to ignore all entries with atom numbers larger than 99999 
> atoms in this format as well.
> 

What command is ignoring atoms?  I've never had problems with systems >99,999 
atoms.  At 100,000 the numbers start over from zero, but you can still make 
index files that will then contain proper atom numbers (100,000 and beyond).

-Justin

> Anybody know a way around this problem? I'd appreciate any helpful 
> pointers.
> 
> Cheers
> Sven

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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