Code

WIP:Pymaketop#239

Code

Merged

MTLehner merged 11 commits intorelease3rinikerlab/PyGromosTools:release3from pymaketoprinikerlab/PyGromosTools:pymaketopCopy head branch name to clipboardMar 22, 2022

+638-397

Commits

Commits on Mar 10, 2022

• added generic ff

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  8810912

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• off reimplementation

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  4c02384

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• gromosff

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  7b758e2

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Commits on Mar 16, 2022

• Merge branch 'release3' into pymaketop

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  dc2acad

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Commits on Mar 18, 2022

• ff restructering

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  a58de3f

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• adding in_mol2 to amber

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  51c602e

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• kwargs prep for ff

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  a1c0d05

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• bug fix

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  9d12abf

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• adapt ff tests

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  52af850

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• type change

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  cdb9e06

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• adapt tests

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  842bcd1

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