Operating-system compatibility issues¶

Solution:¶

We tested gmx_MMPBSA on macOS Big Sur. Problems have been reported on earlier versions; see this thread for details.

Solution:¶

I am using Windows Subsystem for Linux (WSL)

A WSL installation without Linux GUI support cannot run gmx_MMPBSA_ana. Use gmx_MMPBSA with -nogui in that environment.

I am using Debian or Centos as OS

Server-oriented distributions may provide older graphics libraries. gmx_MMPBSA_ana requires graphics libraries compatible with its PyQt version. A desktop-oriented distribution may therefore be easier to configure.

I am running gmx_MMPBSA on HPC

HPC compute nodes commonly lack a graphical display, so applications that require graphics libraries may fail. Add -nogui to the gmx_MMPBSA command to prevent gmx_MMPBSA_ana from opening after the calculation.

I get an error related to Qt plugins

If you get the following or similar error:

qt.qpa.plugin: Could not load the Qt platform plugin "xcb" in "" even though it was found.

Solution:¶

One possible solution is to reinstall the following library:

sudo apt install --reinstall libxcb-xinerama0