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Merge pull request #35 from tlhr/patch-1
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Update README.md to use correct state_id parameter
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IAlibay authored Jan 6, 2025
2 parents 1f1999d + cd4f9e0 commit 01d6356
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -15,7 +15,7 @@ from openfe_analysis import FEReader

# a "simulation.nc" file contains multiple replicas, so we must choose which of these we load
# provide either a state (following a single lambda state) or replica (following a particular replica) id (typically 0-10)
u = mda.Universe('hybrid_system.pdb', 'simulation.nc', format=FEReader, state=0)
u = mda.Universe('hybrid_system.pdb', 'simulation.nc', format=FEReader, state_id=0)
```

For example to convert your trajectory to a different format for visualisation:
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