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Add warnings import to openmmdlsetup.py #173

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Merged
talagayev merged 3 commits into from
Jan 18, 2026
Merged

Add warnings import to openmmdlsetup.py #173

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8be605f
Add warnings import to openmmdlsetup.py
NDoering99 Jan 16, 2026
7bebcaf
Update CHANGELOG.md
talagayev Jan 18, 2026
4142261
Update CHANGELOG.md
talagayev Jan 18, 2026
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3 changes: 2 additions & 1 deletion CHANGELOG.md
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Expand Up @@ -18,12 +18,13 @@ The rules for this file:
## Version 1.1.2

### Authors
talagayev
talagayev, NDoering99

### Added
- Addition of `CHARM2024` forcefield (2025-11-03, PR #163)

### Fixed
- Fixed 'warinings' import error for 'openmmdlsetup.py' (2026-01-18, PR #173)
- Adjusted the water selection for `Amber19` (2025-12-08, PR #166)
- Fixes import error in `visualization.ipynb` (2025-10-14, PR #159)
- Fixes numpy error in due current incompatbility with parmed (2025-10-19, PR #160)
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1 change: 1 addition & 0 deletions openmmdl/openmmdl_setup/openmmdlsetup.py
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@@ -1,5 +1,6 @@
import openmm as mm
import openmm.unit as unit
import warnings
from openmm.app import PDBFile, PDBxFile
from pdbfixer.pdbfixer import (
PDBFixer,
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