Fatal error: reading tpx file (step5_294.tpr) version 122 with version 119 program

User discussions
1

GROMACS version:2021.2/2020.6
GROMACS modification: Yes
Dear Gromacs user,
i have genrated input files using Charm-gui website. I have gromacs version 2021.2 in my local computer. I ran simulation in this computer for 293 steps (293 ns). Later, i transfred the data to hpc which has gromacs version 2020.6. Obviously, there is .tpr version mismatch and i got the above error.
my question is, can i run just step 1 in hpc to generate the .tpr? Then rename it to step5_294.tpr and continue simulation. will it intrupt the progress of simulation at step 294?

Thank you

2

You could regenerate a .tpr file but it is generally strongly discouraged to switch between major versions of the software midway in a simulation. It is a reproducibility issue. Use a consistent version.