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update result tree
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rbfe_tutorial/cli_tutorial.md

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@@ -86,7 +86,7 @@ network_setup
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├── rbfe_lig_ejm_31_complex_lig_ejm_50_complex.json
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├── rbfe_lig_ejm_31_solvent_lig_ejm_42_solvent.json
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├── rbfe_lig_ejm_31_solvent_lig_ejm_46_solvent.json
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[continues]
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...
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```
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The `ligand_network.graphml` file describes the atom mappings between the
@@ -284,29 +284,42 @@ openfe
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```text
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results
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├── rbfe_lig_ejm_31_complex_lig_ejm_42_complex
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│   ├── shared_RelativeHybridTopologyProtocolUnit-3ea82011-75f0-4bb6-b415-e7d05bd012f6
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│   │   ├── checkpoint.nc
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│   │   └── simulation.nc
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│   ├── shared_RelativeHybridTopologyProtocolUnit-5262feb6-cb50-4bb2-90a2-359810c2bb9c
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│   │   ├── checkpoint.nc
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│   │   └── simulation.nc
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│   └── shared_RelativeHybridTopologyProtocolUnit-7a6def34-2967-4452-8d47-483bc7219c06
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│   ├── checkpoint.nc
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│   └── simulation.nc
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├── rbfe_lig_ejm_31_complex_lig_ejm_42_complex.json
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├── rbfe_lig_ejm_31_complex_lig_ejm_46_complex
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│   ├── shared_RelativeHybridTopologyProtocolUnit-ad113e55-5636-474e-9be3-ee77fe887e77
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│   │   ├── checkpoint.nc
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│   │   └── simulation.nc
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│   ├── shared_RelativeHybridTopologyProtocolUnit-ca74ad3c-2ac8-4961-be7c-fa802a1ec76b
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│   │   ├── checkpoint.nc
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│   │   └── simulation.nc
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│   └── shared_RelativeHybridTopologyProtocolUnit-f848e671-fdd3-4b8d-8bd2-6eb5140e3ed3
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│   ├── checkpoint.nc
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│   └── simulation.nc
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├── rbfe_lig_ejm_31_complex_lig_ejm_46_complex.json
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[continues]
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├── replicate_0
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│   ├── rbfe_lig_ejm_31_complex_lig_ejm_42_complex
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│   │   ├── shared_RelativeHybridTopologyProtocolUnit-79c279f04ec84218b7935bc0447539a9_attempt_0
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│   │   │   ├── checkpoint.nc
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│   │   │   ├── db.json
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│   │   │   ├── simulation_real_time_analysis.yaml
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│   │   │   └── simulation.nc
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│   │   ├── shared_RelativeHybridTopologyProtocolUnit-a3cef34132aa4e9cbb824fcbcd043b0e_attempt_0
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│   │   │   ├── checkpoint.nc
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│   │   │   ├── db.json
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│   │   │   ├── simulation_real_time_analysis.yaml
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│   │   │   └── simulation.nc
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│   │   └── shared_RelativeHybridTopologyProtocolUnit-abb2b104151c45fc8b0993fa0a7ee0af_attempt_0
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│   │   ├── checkpoint.nc
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│   │   ├── db.json
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│   │   ├── simulation_real_time_analysis.yaml
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│   │   └── simulation.nc
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│   ├── rbfe_lig_ejm_31_complex_lig_ejm_42_complex.json
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│   ├── rbfe_lig_ejm_31_complex_lig_ejm_46_complex
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│   │   ├── shared_RelativeHybridTopologyProtocolUnit-361500fe831c431aa830efd207db0955_attempt_0
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│   │   │   ├── checkpoint.nc
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│   │   │   ├── db.json
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│   │   │   ├── simulation_real_time_analysis.yaml
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│   │   │   └── simulation.nc
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│   │   ├── shared_RelativeHybridTopologyProtocolUnit-5a6176cfbf074f92bc76caac91b1c1bf_attempt_0
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│   │   │   ├── checkpoint.nc
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│   │   │   ├── db.json
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│   │   │   ├── simulation_real_time_analysis.yaml
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│   │   │   └── simulation.nc
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│   │   └── shared_RelativeHybridTopologyProtocolUnit-e16de73f07964e9096f34611e0c874ca_attempt_0
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│   │   ├── checkpoint.nc
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│   │   ├── db.json
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│   │   ├── simulation_real_time_analysis.yaml
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│   │   └── simulation.nc
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│   ├── rbfe_lig_ejm_31_complex_lig_ejm_46_complex.json
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...
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```
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The JSON results file contains not only the calculated $\Delta G$, and

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