[gmx-users] MDrun append...

Mark Abraham Mark.Abraham at anu.edu.au
Fri Mar 2 07:31:49 CET 2012

On 2/03/2012 3:59 PM, rama david wrote:
> Dear GROMACS Friends,
>  my MD run get crashed , I foollow following command ..
> mdrun -s protein_md.tpr -c protein_md.trr -e protein_md.edr -g 
> protein_md.log -cpi -append -v
>  the system respond in a way..
> Fatal error:
> The original run wrote a file called 'traj.trr' which is larger than 2 
> GB, but mdrun did not support large file offsets. Can not append. Run 
> mdrun with -noappend
> What to do ???

Update whichever of your filesystem or mdrun is outdated, or use 
-noappend and resign yourself to concatenation after the simulation 


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