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richardjgowers merged 1 commit into from
Mar 25, 2024
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Update README.md #72

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15 changes: 3 additions & 12 deletions README.md
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Expand Up @@ -16,22 +16,13 @@ These can be ran in the browser via the Binder links.
## Running these notebooks locally

To run these notebooks locally you will need to install the `openfe` package,
this is best done using [miniconda](https://docs.conda.io/en/latest/miniconda.html)

Once miniconda is installed, from a terminal run:

- `conda create -n openfe -c conda-forge openfe jupyter MDAnalysis nglview`
- `conda activate openfe`
this is best done using [the instuctions here](https://docs.openfree.energy/en/stable/installation.html)

Then you can download a copy of the notebooks:

- https://github.com/OpenFreeEnergy/ExampleNotebooks/archive/refs/tags/nov-2022.tar.gz

Or via the command line as:

- `wget -O OpenFEExampleNotebooks.tar.gz https://github.com/OpenFreeEnergy/ExampleNotebooks/tarball/master`
- `wget -O OpenFEExampleNotebooks.tar.gz https://github.com/OpenFreeEnergy/ExampleNotebooks/tarball/main`
- or (depending on your platform)
- `curl -L -k -o OpenFEEXampleNotebooks.tar.gz https://github.com/OpenFreeEnergy/ExampleNotebooks/tarball/master`
- `curl -L -k -o OpenFEEXampleNotebooks.tar.gz https://github.com/OpenFreeEnergy/ExampleNotebooks/tarball/main`

Unpack, then navigate to the downloaded notebooks:

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