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Merge pull request #304 from OpenFreeEnergy/membrane_cli_updates
adding note about membranes in cli tutorial
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rbfe_tutorial/cli_tutorial.md

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@@ -28,8 +28,7 @@ Then when you run `ls`, you should see that your directory has:
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## 1. Set up the campaign
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The CLI makes setting up the simulation very easy - it's just a single CLI
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command.
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The CLI makes setting up the simulation very easy - it's just a single CLI command.
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There are separate commands for relative binding free energy (RBFE) and relative hydration free energy setups (RHFE).
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For RBFE campaigns, the relevant command is `openfe plan-rbfe-network`.
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openfe plan-rbfe-network -M tyk2_ligands.sdf -p tyk2_protein.pdb -o network_setup --n-protocol-repeats 1 -n 4
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```
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This will result in a directory called `network_setup/`, which is structured like this:
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If you are looking to run an RBFE campaign on a system that contains a membrane, you will need to use ``--protein-membrane`` instead of `-p` or ``--protein``.
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Membrane-containing protein systems must be provided as fully built, solvated, and pre-equilibrated systems, including correctly defined box vectors.
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See the [RBFE calculations of a Protein-Membrane System tutorial](https://docs.openfree.energy/en/latest/tutorials/rbfe_membrane_protein.html) for details on how to prepare the input system.
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The `openfe plan-rbfe-network` command will result in a directory called `network_setup/`, which is structured like this:
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<!-- top lines from `tree network_setup` -->
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