Continuing umbrella sampling simulation

GROMACS version:2018
GROMACS modification: No

Hi guys, I have been trying to continue some umbrella sampling simulations. Due to computational time, some of my simulations are aborted. I am trying to continue the simulation from the checkpoint file using the command: (all my files are named as nvt.xtc, nvt.tpr etc.)

gmx mdrun -v -cpi nvt.cpt -deffnm nvt

but I am receiving an error: saying “2 of the 5 output files are absent nvt_pullf.xvg and nvt_pullx.xvg, or modified or named differently”

However, this is not the case, both of these two files are present in the working directory and have not been renamed or modified.

I am a bit confused as I know that this is the standard way to continue or restart a simulation from cpt files, please let me know if anything else is required to be done

You can either explicitly name all the output files (.xtc, .trr, .xvg, .edr, etc.) instead of using -deffnm or else, you can use the -noappend option. The problem would be that you’ll get discontinuous trajectories, which should be analysed together later on.

Thank you Ali for the suggestion, I think both options you have mentioned are very much viable, thanks