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Harsh Rajan
Sep 13, 2024, 8:32:48 AM9/13/24
to gmx_MMPBSA
Hi
I am new to gmxMMPBSA, as previously been using the g_mmpbsa in gromacs and after installation of newer version OF GROMACS 2024, they do not support anymore, so had to shift to gmxMMPBSA.
The error lies in mpi4y not supporting and also the gmxMMPBSA not being to able to recognize.
The screenshot is attached below.
can you all help me solve this error here?
Many thanks for considering my request.
Regards
The error lies in mpi4y not supporting and also the gmxMMPBSA not being to able to recognize.
The screenshot is attached below.
can you all help me solve this error here?
Many thanks for considering my request.
Regards
Harsh Rajan
Sep 13, 2024, 9:16:42 AM9/13/24
to gmx_MMPBSA
The solution to this is:
All you have to do is enter the name of the program in the terminal and press the tab key twice:
gmx_MMPBSA <tab> <tab>
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