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update doc installation.md
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marioernestovaldes committed Mar 24, 2022
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14 changes: 9 additions & 5 deletions docs/installation.md
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conda create -n gmxMMPBSA python=3.9 -y -q # (1)
conda activate gmxMMPBSA # (2)
conda install -c conda-forge mpi4py=3.1.3 ambertools=21.12 compilers -y -q # (3)
python -m pip install git+https://github.com/ParmEd/ParmEd.git@16fb236 # (4)
python -m pip install git+https://github.com/Valdes-Tresanco-MS/ParmEd.git@v3.4 # (4)
python -m pip install pyqt5 # (5)
# Optional
conda install -c bioconda gromacs==2021.3 -y -q # (6)
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```bash
python -m pip install git+https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA
```

**UPDATE**
```bash
python -m pip install git+https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA -U
```

!!! warning
Install gmx_MMPBSA from the master branch of GitHub repository. This is only recommended
for testing new versions or temporary solutions to reported bugs.
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=== "Rolling/stable release"
**INSTALLATION**
```bash
amber.python -m pip install git+https://github.com/ParmEd/ParmEd.git@16fb236 # (1)
amber.python -m pip install gmx_MMPBSA # (2)

amber.python -m pip install git+https://github.com/Valdes-Tresanco-MS/ParmEd.git@v3.4 # (1)
amber.python -m pip install gmx_MMPBSA # (2)
```

1. Install ParmEd
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=== "development version"
**INSTALLATION**
```bash
amber.python -m pip install git+https://github.com/ParmEd/ParmEd.git@16fb236 # (1)
amber.python -m pip install git+https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA # (2)
amber.python -m pip install git+https://github.com/Valdes-Tresanco-MS/ParmEd.git@v3.4 # (1)
amber.python -m pip install git+https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA # (2)
```
1. Install ParmEd
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```bash
amber.python -m pip install git+https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA -U
```

!!! warning
Install/update gmx_MMPBSA from the master branch of GitHub repository. This version is only recommended
to test a new version or to try temporary solutions to reported bugs.
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