Reading tpx file version 119 with version 103 program

GROMACS version: 2020.2

I am following the “KALP-15 in DPPC” tutorial on my computer with GROMACS 2020.2, and I try to run the NPT equilibration in parallel on a cluster of my department, whose GROMACS is version 5.1.2. I submit my job and the output file reads:
Fatal error: reading tpx file (npt.tpr) version 119 with version 103 program

Is this because the tpr file produced by a latter version of GMX cannot be read by an older GMX? If so, how to deal with the problem?


You are precisely correct, the newer file contains some options that the old program does not know about.

Some solutions, in order of difficulty and time spent:

  1. Transfer the input files (.gro/.pdb, .mdp, .top, and anything else needed) to the cluster and run gmx grompp on it
  2. Download Gromacs 5.1.2 and compile it on your local machine (you can compile it without installing it, after running make the gmx executable is in the bin folder)
  3. Compile Gromacs 2020 by yourself on the cluster and use that
  4. Convince your system administrator to install Gromacs 2020 on the cluster


I see. Thank you very much! :D