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Anil Panwar
Dec 16, 2022, 5:19:22 AM12/16/22
to gmx_MMPBSA
I am trying to install MMPBSA, and I got an error while running the following command: python -m pip install git+https://github.com/Valdes-Tresanco-MS/ParmEd.git@3.4
marioe911116
Dec 16, 2022, 5:07:31 PM12/16/22
to gmx_MMPBSA
could you please copy and paste the error in a text file and send it to us?
thanks in advance
Mario Sergio Valdes
Dec 16, 2022, 7:32:47 PM12/16/22
to gmx_MMPBSA
I have not been able to solve the problem. According to my searches, it is a compatibility problem between the libraries and the file format to be compiled. I will try to solve it as soon as possible
Mario Sergio Valdes
Dec 16, 2022, 9:13:57 PM12/16/22
to gmx_MMPBSA
For some reason, using the installation with the env.yml file works correctly. Please try the installation of that form and let me know if it works for you. It seems to be a problem with the conda libraries.
Mario Sergio Valdes
Feb 10, 2023, 12:08:55 PM2/10/23
to gmx_MMPBSA
I have already fixed the installation instructions in the documentation and installation files. Please, check this section (https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/installation/#installing-gmx_mmpbsa-v15x)
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