[gmx-users] Rerun error - the file has been replaced or its content has been changed
s.neumann08 at gmail.com
Mon Apr 9 20:50:35 CEST 2012
Dear Gmx Users,
I am running umbrella sampling on the cluster. The wall time is 72 hours so
I have to rerun my simulation every time. After first 72 hours I rerun my
pbsexec mpiexec mdrun -s umbrella0.tpr -cpi umbrella0.cpt -append -deffnm
umbrella0 -pf pullf-umbrella0.xvg -px pullx-umbrella0.xvg
where tpr file is the one used in the initial MD run. Then I got:
Can't read 640794 bytes of 'pullx-umbrella0.xvg' to compute checksum. The
file has been replaced or its contents has been modified.
Do you have any clue?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users