gmx_MMPBSA XCB Error

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Aiman Parvez

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Apr 5, 2023, 9:29:06 PM4/5/23

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hello,

I am using MMPBSA for energy calculation of protein ligand simulation and its have been 3 days when I run the command, I am waiting for result file but its still same from 3 days, can you please help me .

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Mario Sergio Valdes

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Apr 5, 2023, 9:33:10 PM4/5/23

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This problem is related to the driver and the Qt framework... The calculation is already finished... Please, attach the gmx_MMPBSA.log file.

Mario Sergio Valdes

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Apr 6, 2023, 1:00:06 AM4/6/23

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As I see it, you are using a fairly old Linux-based OS (kernel 4.15). Qt libraries are probably incompatible with this system. You can try this solution (https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA/issues/208#issuecomment-1082037051).
Note that you can do the analysis on your PC by copying the working directory or the COMPACT_MMXSA_RESULT.mmxsa file and running gmx_MMPBSA_ana

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