G_mmpbsa-1.7.1 installation ?

21 May 2024 1 6K Report

I have used g_mmpbsa (rashmi kumari version) for mmpbsa study in my previous simuation. Everything was ok. But i performed three simulations on cluster having gromacs 2021. Now the .xtc and .tpr file are not accepted by g_mmpbsa. I have downloaded the new version g_mmpbsa-1.7.1 but errors are occuring in installation.

Can anyone share executable g_mmpbsa and energy2bfac files so that i can add them directly to bin and g_mmpbsa 1.7.1 can run.

Regards,

Saima Ejaz

Hamed Zahraee

Dear Saima Ejaz,

You can try with the more updated versions of MMPBSA (gmx_MMPBSA) which are compatible with the newer versions of GROMACS (2018.3, 2019.1, 2020.3, and 2021.1).

https://doi.org/10.1021/acs.jctc.1c00645

https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/

Good luck

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