Re-generate a .tpr file

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1

GROMACS version:
GROMACS modification: Yes/No
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Hi Justin Lemkul

I am using the gromacs 2020 version on ubuntu for MD simulation. then i download the binary form of g_mmpbsa version 5-1-x (https://rashmikumari.github.io/g_mmpbsa/package/GMX51x_extrn_APBS/g_mmpbsa.tar.gz)

my command:
g_mmpbsa -f md_0_10.xtc -s md_0_10.tpr -i em.mdp -mm energy-mm.xvg -pol polar.xvg -apol apolar.xvg -mmcon contrib-mm.dat -b 46610 -e 46611

final error:
:-) g_mmpbsa (-:
Reading file md_0_10.tpr, VERSION 2020.1-Ubuntu-2020.1-1 (single precision)

Program g_mmpbsa, VERSION 5.1.2
Source code file: /home/rajendra/software/gromacs_source/gromacs-5.1.2/src/gromacs/fileio/tpxio.c, line: 3345

Fatal error:
reading tpx file (md_0_10.tpr) version 119 with version 103 program.
As you know the MD simulation is very time consuming and I couldn’t change the gromacs version.

You told me: “The only solution is to re-generate a .tpr file using version 5.1.2. You do not need to re-run the simulations”

Please let me know how I can re-generate a .tpr file using version 5.1.2
Many thanks in advance

2

How do you generate any .tpr file? With grompp, so you need to use grompp from 5.1.2 to get a suitable .tpr file.

3

thanks a lot