Conversion of tpr file

User discussions
1

GROMACS version: 2019.4

Hi. I have a tpr file. When I used gmx_mpi mdrun -v -deffnm md, i encountered with

Fatal error:
reading tpx file (md.tpr) version 127 with version 116 program

Is there any way to convert this old version tpr to new version tpr. Unfortunately, I don’t access to gro file related to previous step.

2

The problem is that the tpr file is too new, not too old, for the program version you are using. There is backward compatibility when reading a tpr (a newer program version can read an older version of a tpr file), but not necessarily the other way around.

The tpr file was generated with GROMACS 2022. So, 2022 or later versions should be able to open it.

3

Hi, Thanks Magnus for your answer.

The problem is that I just access to Gromacs 2019.4, now.

How to resolve this issue?

Best,
Lilian

4

I don’t think there is a way to convert a GROMACS 2022 tpr file to be usable in GROMACS 2019, especially not without a GROMACS 2022 installation.

In most cases you can install GROMACS 2022 (or preferably a newer supported version, such as 2024) as a local user without administrator privileges.