From 541e8dc2bf5f7c6968074d4a577888a0c5c399d4 Mon Sep 17 00:00:00 2001
From: jessicaflowers <108426511+jessicaflowers@users.noreply.github.com>
Date: Tue, 23 Apr 2024 10:09:49 -0700
Subject: [PATCH] add self.sample_b()

---
 src/qfit/qfit.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/qfit/qfit.py b/src/qfit/qfit.py
index c847d705..a214f412 100644
--- 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")