GROMACS version: 2019.6
GROMACS modification: No
I have extended my simulation with the following instruction:
- gmx convert-tpr -s md_0_1.tpr -extend 50000 -o md_1_2.tpr
- gmx mdrun -deffnm md_1_2 -cpi md_0_1.cpt -noappend
It generated a bunch of .part0009 files (edr, trr etc etc)
Now, because the machine is not run 24/7, I have tried to stop and continue with the following command:
gmx mdrun -deffnm md_1_2 -s md_1_2.tpr -cpi md_1_2.cpt -append
Which throws the following error:
Output file appending has been requested,
but some output files listed in the checkpoint file md_1_2.cpt
are not present or not named as the output files by the current program:
Expect output files present:
Expected output files not present or named differently:
The files are indeed present in the directory, can anyone help out?
I have tried renaming the part0009 files to just md_1_2 to match -deffnm but still throws an error.
Thanks in advance for the help.