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Tests Amber MD setup wf
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gbayarri committed Jan 22, 2025
1 parent 3e56585 commit ab0a68a
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2 changes: 0 additions & 2 deletions biobb_wf_amber_abc_setup/python/workflow.env.yml
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Expand Up @@ -5,5 +5,3 @@ channels:
dependencies:
- biobb_amber>=5.0.2
- biobb_analysis>=5.0.1


3 changes: 2 additions & 1 deletion biobb_wf_amber_md_setup/python/workflow.env.yml
Original file line number Diff line number Diff line change
Expand Up @@ -6,4 +6,5 @@ dependencies:
- biobb_structure_utils>=5.0.0
- biobb_chemistry>=5.0.3
- biobb_amber>=5.0.2
- biobb_analysis>=5.0.1
- biobb_analysis>=5.0.1

4 changes: 1 addition & 3 deletions biobb_wf_amber_md_setup_lig/python/workflow.env.yml
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,4 @@ dependencies:
- biobb_structure_utils>=5.0.0
- biobb_chemistry>=5.0.3
- biobb_amber>=5.0.2
- biobb_analysis>=5.0.1


- biobb_analysis>=5.0.1

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