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### Bug summary
Under a gmxMMPBSA conda env with a successfull gmx_MMPBSA_test running, gmx_MMPBSA_ana execution renders the error.
### Terminal output
```bash
ERROR:root:MMPBSA_Error
Could not…
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### Bug summary
I was calculating MMPBSA using my gromacs result and ended up with error.
### Terminal output
```bash
combine_snap.sh _GMXMMPBSA_COM_FIXED.pdb _GMXMMPBSA_leap.in gmx_mmpbsa.lo…
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### Bug summary
I encountered an error when operating gmx_MMPBSA_ana in the folder after the calculation was completed, even though PyQt5 is correctly installed in the virtual environment. How can I …
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### Bug summary
Unable to install using amber.python command. return issue associated with mpi4py. mpich and open mpi installed in my system
### Terminal output
```bash
(base) sneha@sneha:~/Deskto…
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### Bug summary
i am running multi trajectory mmpbsa calculations using gmx_MMPBSA. i keep getting this error
### Terminal output
```bash
$ gmx_MMPBSA -O -i mmpbsa.in -cs mmpbsa.tpr -ci index_c.ndx…
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### Bug summary
i havn't used this in a while and i have the following error: gmx_MMPBSA does not support water/ions molecules in any structure, but we found 127 molecules in the complex.
any idea …
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### My Question is...
I am trying to install the gmxMMPBSA in the HPC. I follow the https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/installation/#installing-gmx_mmpbsa-v15x step by step. Then I…
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### My Question is...
Helloo.. I have run a simulation for a protein-ligand complex using amber99SB force field(amber 99 for protein,acpype for ligand) in GROMACS and when I tried to run gmx_MMPBSA…
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### Documentation Link
_No response_
### Problem
Hello everyone
I am currently running a MD and I am calculating the energy from the trajectory using MMPBSA and it works normally, but now that …
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### Bug summary
Hi! I have been encountering this issue recently with the calculation. I have before hand removed pbc conditions and generated no pbc file for the execution of mmpbsa calculation but …