Corrupted .xtc file (Magic number error) in a 150 ns simulation

[chandra]

GROMACS version: 2018.3
GROMACS modification: No
Here post your question:

Dear Gmx experts,

I have a completed simulation of 150 ns. Because of a previous HPC breakdown, i had to extend the simulation from 12 ns once. The problem, i am facing is the Magic number error in XTC file after 90 ns.

My question is: Could you please guide me restarting my simulation from suppose 90 ns to 150 ns. I was unable to find any specific guidance. I will be grateful.

warm regards,
Chandra

[cblau]

Hi Chandra,

have a look here, where we discussed a similar scenario:

WARNING: Incomplete energy frame: nr 1390086 time 1042563.750

GROMACS version: 2018.4 GROMACS modification: No I have a problem. I run the membrane simulation. I continue my simulation if it stopped (for example lack of electricity) by using gmx grompp -f eq4.mdp -p system_mgdg.top -c eq2_333temp.tpr -o eq2_333temp.tpr then gmx mdrun -deffnm eq2_333temp -cpi eq2_333temp.cpt -v -append But my .edr file is damaged probably. I have 950000 steps and 1425 ns, not 1042 ns and 650000 steps. I have also information WARNING: Incomplete energy frame: nr 1390…