[gmx-users] MDrun append...

[Mark Abraham]

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Update whichever of your filesystem or mdrun is outdated, or use 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 
completes.

Mark