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### Bug summary
I am getting this error in MMPBSA calculation. , I have attached log file and my topology file also.
Thank you for help.
### Terminal output
```bash
(gmxMMPBSA) dhaval@dhaval-MS-…
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### Bug summary
The error occurs when installing gmx_MMPBSA (`python -m pip install gmx_MMPBSA`) in a conda environment (both stable and development release). All dependencied were installed succesfu…
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### Bug summary
gmx_MMPBSA installs correctly with python 3.9, but running it prints this error. I had already tried with 3.10 but couldn't get through install due to an "unable to build wheels for p…
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### Bug summary
how to analyze the data obtain. Unable to understanding from the videos available.
### Terminal output
```bash
INFO ] Starting gmx_MMPBSA v1.6.3
[INFO ] Command-line
gmx_MM…
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### Bug summary
ImportError: /apps/codes/anaconda3/envs/gmxMMPBSA/lib/python3.10/site-packages/PyQt6/QtGui.abi3.so: undefined symbol: _ZN5QFont11tagToStringEj, version Qt_6
### Terminal output
```b…
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### Bug summary
My system only contains proteins(Chain A, Chain B and Chain C) water and ions. I'm attempting to compute the binding energy of Chain C binding to Chain A-Chain B complex. I utilized…
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### My Question is...
i have completed the calculation by using the command
gmx_MMPBSA -O -i mmpbsa.in -cs md_0_300.tpr -ct md_0_300_center150-300ns.xtc -ci index.ndx -cg 1 13 -cp topol.top -o LIG…
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### Bug summary
gmx_MMPBSA: error: unrecognized arguments
### Terminal output
```bash
Check the gmx_MMPBSA.log file to report the problem.
File "/apps/codes/anaconda3/envs/gmxMMPBSA/bin/gmx_MMPB…
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Hello,
I am trying to install the gmx_MMPBSA tool on a computing cluster for easy use on multiple trajectories and systems already present there. I understand it requires having a GROMACS version, …
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### Documentation Link
https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/gmx_MMPBSA_running/
### Problem
Hi!
The doc I mention states that the input of the `gmxMMPBSA` requires the removal of …