add self.sample_b()

ExcitedStates · Apr 23, 2024 · 541e8dc · 541e8dc
1 parent 6bd862e
commit 541e8dc
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/qfit/qfit.py b/src/qfit/qfit.py
@@ -1623,6 +1623,7 @@ def run(self):
 
         # MIQP score conformer occupancy
         logger.info("Solving MIQP within run.")
+        self.sample_b()
         self._convert()
         if self.options.ligand_bic:
             print("BIC IS ON")