Hi Paul,
Thank you for your reply. In fact, there is the GMXPBSA tool but I still
have errors with that too when I run it on the examples provided in the
installation folder. I tried to seek some help but the developers aren't
responding.
Thank you anyway!
- Mariem
Le ven. 10 avr. 2020 à
Hello,
there is no real supported way of doing this. You would need to
re-create the TPR in the version you want to use it in.
Can you use an external tool instead of g_mmpbsa that supports reading
the newer file format?
Cheers
Paul
On 09/04/2020 17:24, Mariem Ghoula wrote:
Hi,
I would
Hi,
I would like to use g_mmpbsa on my protein-protein complex simulation.
However, after a few errors with the module due to tpr files version
mismatch and after reading some posts with the same issue, I came to the
conclusion that I need to convert my tpr file to an older version. Can you
