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Deep CNS scripts checking and example cleaning #763

Merged
merged 11 commits into from
Dec 22, 2023
Merged

Deep CNS scripts checking and example cleaning #763

merged 11 commits into from
Dec 22, 2023

Commits on Dec 20, 2023

  1. A deep dive into CNS outputs to identify and solve reported error mes… 

    …sages

Removing parameter duplications
Fixing some issues with variables
Cleaning/harmonizing examples config files
    @amjjbonvin
    amjjbonvin committed Dec 20, 2023
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  2. Updated print_coorheader to check for existence of a variable

    @amjjbonvin
    amjjbonvin committed Dec 20, 2023
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  3. Removed unnecessary warning

    @amjjbonvin
    amjjbonvin committed Dec 20, 2023
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  4. Corrected example config files

    @amjjbonvin
    amjjbonvin committed Dec 20, 2023
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Commits on Dec 21, 2023

  1. Merge branch 'main' into deepCNS

    @rvhonorato
    rvhonorato authored Dec 21, 2023
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  2. Updated alascan integration test

    @amjjbonvin
    amjjbonvin committed Dec 21, 2023
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  3. updates alascan integration test

    @amjjbonvin
    amjjbonvin committed Dec 21, 2023
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  4. updates alascan integration test

    @amjjbonvin
    amjjbonvin committed Dec 21, 2023
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  5. consistent verbosity definition for param/topo file

    @amjjbonvin
    amjjbonvin committed Dec 21, 2023
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  6. two more cleaned config files

    @amjjbonvin
    amjjbonvin committed Dec 21, 2023
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Commits on Dec 22, 2023

  1. added seletopclusts to all examples (where possible)

    @amjjbonvin
    amjjbonvin committed Dec 22, 2023
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