[gmx-users] Rerun error

Christian Wennberg chriwen at kth.se
Fri Jan 24 16:27:19 CET 2014

Try moving the trajectory to a separate folder from the one you are 
running the rerun from and then use --rerun /newfolder/traj.trr.
Mdrun creates a new traj.trr when doing rerun and then tries to read 
this instead of the one you supply from the start if they both are to be 
named traj.trr


On 2014-01-24 15:49, Shima Arasteh wrote:
> Hi,
> I had a large .trr file, tried to do rerun on it. First I used split command and made 10 new .trr files with 2G in size. Then ran rerun on the first 2G.trr, but this does not work for the rest of trr files and I get the error:
> The number of atoms in trajectory (-1) doesn't match the input file.
> Would you please give me any suggestions?
> Thanks in advance
> Sincerely,
> Shima

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