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added value error if pka not provided for acidic or basic particles #24

Merged
merged 11 commits into from
Apr 22, 2024
Merged

added value error if pka not provided for acidic or basic particles #24

merged 11 commits into from
Apr 22, 2024

Commits on Mar 13, 2024

  1. added value error if pka not provided for acidic or basic particles

    @mariusaarsten
    mariusaarsten committed Mar 13, 2024
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  2. remove acidity from peptide parameters, add marius as contributor, im… 

    …prove value error messages
    @pm-blanco
    pm-blanco committed Mar 13, 2024
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Commits on Apr 18, 2024

  1. added acidity test

    @mariusaarsten
    mariusaarsten committed Apr 18, 2024
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Commits on Apr 19, 2024

  1. Merge branch 'main' into fixing_set_particle_acidity

    @mariusaarsten
    mariusaarsten authored Apr 19, 2024
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Commits on Apr 21, 2024

  1. adjusted the parameter files to not having acidity

    @mariusaarsten
    mariusaarsten committed Apr 21, 2024
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  2. Merge branch 'origin/fixing_set_particle_acidity' into fixing_set_par… 

    …ticle_acidity
    @mariusaarsten
    mariusaarsten committed Apr 21, 2024
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  3. Merge branch 'main' into fixing_set_particle_acidity

    @mariusaarsten
    mariusaarsten authored Apr 21, 2024
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  4. removed all acididty in params

    @mariusaarsten
    mariusaarsten committed Apr 21, 2024
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Commits on Apr 22, 2024

  1. changed diameter to sigma

    @mariusaarsten
    mariusaarsten committed Apr 22, 2024
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  2. Add aditional unit tests, remove tests from samples instruction in Ma… 

    …kefile
    @pm-blanco
    pm-blanco committed Apr 22, 2024
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  3. Add missing test to the CI

    @pm-blanco
    pm-blanco committed Apr 22, 2024
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