Gmx_mmpbsa_ana pyqt5/pyqt6 error #557
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Hello, dear friends. I am performing a MMPBSA calculation on a biological simulation system, which is a steered molecular dynamics simulation of molecule transport through a nanotube. When I perform pb via gmx_mmpbsa, I get this error: "could not import pyqt5/pyqt6. gmx_mmpbsa_ana will be disabled until pyqt5/pyqt6 is installed," while it is installed on the system. How can I eliminate this error? |
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Replies: 2 comments 1 reply
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If you are in an HPC environment or you don't want to install the PyQt libraries, you can omit this error by adding the |
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Hello again, |
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Using WSL2, you can habilitate the GUI and use graphical apps. So, you can copy the content of the folder and using gmx_MMPBSA_ana analyze the results |
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If you are in an HPC environment or you don't want to install the PyQt libraries, you can omit this error by adding the
-noguioption to the command line