GROMACS version:2023.2
GROMACS modification: Yes/No
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?
It’s quite probable that you will find more help from the gmx_MMPBSA experts in their Q&A or their Google Group. A good starting point may be Help - gmx_MMPBSA Documentation.
A quick search found these threads:
- MMPBSA_Error Could not import PyQt5/PyQt6 · Issue #272 · Valdes-Tresanco-MS/gmx_MMPBSA · GitHub
- [Question]: Could not import PyQt5/PyQt6 · Issue #208 · Valdes-Tresanco-MS/gmx_MMPBSA · GitHub
- gmx_MMPBSA_ana error: Could not import PyQt5 · Issue #176 · Valdes-Tresanco-MS/gmx_MMPBSA · GitHub
- Could not import PyQt5 but the package is in conda list · Issue #100 · Valdes-Tresanco-MS/gmx_MMPBSA · GitHub
Perhaps one of them can be of use for you.