[gmx-users] .xtc file not portable?

[Erik Lindahl]

Hi Jee,

The xtc files are completely portable, you could even read them on a 
non-IEEE floating-point system.

My best guess would be that you shuffled the trajectory to run in 
parallel on the SGI (this reorders the atoms in the tpr and all output 
files), but on your PC you used a non-shuffled gro file (like the one 
before you ran grompp and shuffled things).

Cheers,

Erik


On Mar 12, 2004, at 8:27 PM, Jee E Rim wrote:

> Hi,
>  
> I am trying to view the trajectory of an mdrun that I did on an SGI 
> Origin. I've moved the .xtc file over to my PC (Windows) to look at it 
> with VMD. Although the .gro files at the beginning and the end of the 
> run looks just fine, in the trajectory frames of the .xtc files, the 
> atoms are all scrambled up in weird positions. The trajectory by the 
> way looks perfectly okay when I view it with ngmx on SGI. Is this an 
> endian issue? But I thought the .xtc file was portable regardless of 
> architecture or endian?
>   
> Any info on this will be greatly appreciated.
>  
> Thanks in advance,
> Jee.
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