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fix in gromosPP

fix in gromosPP #543

Workflow file for this run

name: pre-commit
on:
pull_request:
push:
branches: [main, release3, PyGromosTools_V1]
jobs:
pre-commit:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- uses: actions/setup-python@v2
- uses: pre-commit/action@v3.0.0