gmx_mmpbsa error

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Apr 16, 2023, 1:53:27 PM4/16/23

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Good day,

please help I am having this error TypeError: ChamberParm does not support all potential terms defined in the input Structure I run this command

gmx_MMPBSA -O -i mmpbsa.in -cs md.tpr -ci protein.ndx -cg 1 19 -ct md.xtc -cp 6nfi.top -o FINAL_RESULTS_MMPBSA.dat -eo FINAL_RESULTS_MMPBSA.csv

please find the attached documents.

kind regards

Justice Screenshot 2023-04-16 at 12.19.19 PM.png

gmx_MMPBSA.log

6nfi.top

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Apr 16, 2023, 6:16:46 PM4/16/23

to gmx_MMPBSA

Please, install the latest version of gmx_MMPBSA (v1.6.1) and check if you still get this error
python -m pip install gmx_MMPBSA -U

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Apr 30, 2023, 4:19:45 PM4/30/23

to gmx_MMPBSA

Solved offline... The problem was the ff. gmx_MMPBSA does not support OPLS with additional improper or unified atoms style.

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