Hi Prithviraj Uttarasili,

I suggest you to don't look the back up files (#filename#), always use the file name which you have used for the final md run. In your case, you can use the prd.cpt and prd.tpr. To check whether you are in right way, after restarting your job you could see the steps and time will be continued where it was stopped.

If your job stops unfortunately due to any kind of technical issues, the system will generate a backup file during each continuous run and these backup files can be used for analyzing the actual problem.

For more queries visit the below link

http://www.gromacs.org/Documentation/How-tos/Doing_Restarts

Good Luck.

For extend a MD 1ns:

- gmx convert-tpr -s md.tpr -extend 1000 -o prod2.tpr

- gmx mdrun -s prod2.tpr -deffnm md2 -cpi md_prev.cpt -append

In this case, you need another .tpr beacause the previous one finished the time specified.

If you wanna to re-start an MD use:

- gmx mdrun -s md.tpr -cpi md_prev.cpt -append -deffnm md2

This is when for a reason you stop your MD and you want to complete it.

As long as your prd.cpt is not damaged, always use prd.cpt to restart your simulation.

I having the same error, 3 of the 3 output files are not present.

L. América Chi Mustafa Tekpinar

Sometimes, cpt file output is not named correctly such as prd1.cpt instead of prd.cpt. When the program looks for prd.cpt and it can't find it, it gives this error. Check cpt file names, please.

Aamir Mehmood I was having the same error then I have used the following command for my SMD simulation and it works ...

gmx mdrun -s pull.tpr -cpi pull.cpt -deffnm pull -pf pullf.xvg -px pullx.xvg -append