Dear Gmx Users,<br><br>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 simulation:<br><br>pbsexec mpiexec mdrun -s umbrella0.tpr -cpi umbrella0.cpt -append -deffnm umbrella0 -pf pullf-umbrella0.xvg -px pullx-umbrella0.xvg<br>
<br>where tpr file is the one used in the initial MD run. Then I got:<br><br>Fatal error:<br>Can't read 640794 bytes of 'pullx-umbrella0.xvg' to compute checksum. The file has been replaced or its contents has been modified.<br>
<br><br>Do you have any clue?<br><br>Steven<br>