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### My Question is...
I am astonished about the power of gmx_MMPBSA_ana. However, it doesn't work on my Linux , for the lack of graphical processing interface. So I want to know how to download gmx_…
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### Bug summary
I get an error when calculating energy of system with glycans. I prepared the system with CHARMM-GUI, but due to nature of gromacs the pdb file with separate chains for the dimer and …
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### My Question is...
[INFO ] Starting gmx_MMPBSA v1.6.2 [INFO ] Command-line gmx_MMPBSA -O -i mmpbsa_2b.in -cs md.tpr -ci index.ndx -cg 1 14 -ct md.xtc -cp complex.top -o FINAL_RESULTS_MMPBS…
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### Bug summary
I want to calculate the energy using the .gro extension for -cs option, but it doesn't work even though it should if I understand the documentation.
### Terminal output
```bash
[INF…
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`gmx_MMPBSA -O -i mmpbsa_gb.in -cs full_md.tpr -ct full_md_center.xtc -cp topol.top -lp c_24.top -ci index.ndx -cg 1 13 -o FINAL_RESULTS_MMPBSA.dat -eo FINAL_RESULTS_MMPBSA.csv`
I run this code t…
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### Bug summary
When I run gmx_mmpbsa, some error occurs.
### Terminal output
```bash
File "/lustre/user/lulab/lulabrotation/miniconda3/envs/gromacs/bin/gmx_MMPBSA", line 8, in
sys.exit(gm…
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Previously, I have installed Gromacs and gmx_MMPBSA on my Ubuntu system. Then, when I will install uni-GBSA by conda, what are the issues I need to be aware of?
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### Bug summary
Now there is a topology file with 6719 atoms, but gmxMMPBSA recognizes only 6718 (the 6687 atom is skipped), so that the index value cannot correspond to the topology file one by one,…
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### Bug summary
gmx_MMPBSA -i mmpbsa.in -cs trj.pdb -ci index.ndx -ct top.pdb -cp topol.top -cg 18 2 -nogui
[Uploading data.tar.gz…]()
### Terminal output
```bash
MMPBSA_Error:
The number of…
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### Bug summary
I have successfullly run the PB calculation for my membrane protein system based on the Gromacs MD results,but what confused me is that the calculation results for ΔEPB in my outfil…