get rid of openmm warning

calpolyccg · Jun 24, 2024 · 001842e · 001842e
1 parent 6d131e3
commit 001842e
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/mdsapt/repair.py b/mdsapt/repair.py
@@ -22,6 +22,7 @@
 
 from typing import Set, Union
 
+
 import logging
 
 import numpy as np
@@ -33,9 +34,10 @@
 from rdkit import Chem
 
 from pdbfixer import PDBFixer
-from simtk.openmm.app import PDBFile
 
-logger = logging.getLogger('mdsapt.optimizer')
+from openmm.app import PDBFile
+
+logger = logging.getLogger('mdsapt.repair')
 
 
 def get_spin_multiplicity(molecule: Chem.Mol) -> int: