Use the MDAnalysis hydrogen bond module to calculate the bonds #90
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| name: Greetings | |
| on: [pull_request, issues] | |
| jobs: | |
| greeting: | |
| runs-on: ubuntu-latest | |
| permissions: | |
| issues: write | |
| pull-requests: write | |
| steps: | |
| - uses: actions/first-interaction@v1 | |
| with: | |
| repo-token: ${{ secrets.GITHUB_TOKEN }} | |
| issue-message: 'Congras on the first issue!' | |
| pr-message: 'Thank you for creating your first pull request!' |