diff --git a/CHANGELOG.md b/CHANGELOG.md index 1339faf7..c043af99 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -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) diff --git a/openmmdl/openmmdl_setup/openmmdlsetup.py b/openmmdl/openmmdl_setup/openmmdlsetup.py index 94d17b39..2bd3d3fe 100644 --- a/openmmdl/openmmdl_setup/openmmdlsetup.py +++ b/openmmdl/openmmdl_setup/openmmdlsetup.py @@ -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,