[gmx-users] Recreating newer TPRs for old Gromacs
Jernej Zidar
jernej.zidar at gmail.com
Thu Sep 26 05:35:10 CEST 2019
Dear all,
For the purpose of a project I am trying to recreate TPRs so I can use them
with an older version of Gromacs. The TPR files in question are:
- ion channel:
https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseA.tar.gz
- lignocellulose:
https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseB.tar.gz
The two files were prepared in Gromacs 5.1.4 but I would like to use them
with Gromacs 5.0.3. I was able to output the relevant mdp parameters
and the initial structure but I have major issues with the forcefield
parameters. Is there a way to "extract" them from the TPR files or I should
contact the original authors instead?
Thanks in advance,
Jernej Zidar
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