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2 parents f54c41b + 001cd17 commit 75689c3Copy full SHA for 75689c3
1 file changed
docs/getting_started.rst
@@ -296,7 +296,7 @@ Create or edit ``config.yaml`` in your working directory:
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---
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run1:
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- top_traj_file: ["1AKI_prod.tpr", "1AKI_prod.trr"]
+ top_traj_file: ["1AKI_prod_new.tpr", "1AKI_prod_new.trr"]
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selection_string: 'all'
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start: 0
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end: 500
@@ -317,7 +317,7 @@ Run (equivalent CLI):
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.. code-block:: bash
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cd /path/to/lysozyme_example
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- CodeEntropy --top_traj_file 1AKI_prod.tpr 1AKI_prod.trr --temperature 300.0 --selection_string all --start 0 --end 500 --step 1 --verbose
+ CodeEntropy --top_traj_file 1AKI_prod_new.tpr 1AKI_prod_new.trr --temperature 300.0 --selection_string all --start 0 --end 500 --step 1 --verbose
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