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External EN bonds itp#596

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csbrasnett wants to merge 7 commits intomarrink-lab:mastermarrink-lab/vermouth-martinize:masterfrom csbrasnett:external-EN-writecsbrasnett/vermouth-martinize:external-EN-writeCopy head branch name to clipboard

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Commits

Commits on May 8, 2024

• added possibility of writing EN bonds as a separate file

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• Corrected tests

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• added data for integration test

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• fixed integration test for EN written out externally

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Commits on May 23, 2024

• Merge branch 'marrink-lab:master' into external-EN-write

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• changed external bond writing:

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• updated reference files for integration test

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