Merge pull request #178 from wesbarnett/master

Changed MBAR.computeOverlap to return only O, not the entire tuple. Addi...
choderalab · Apr 2, 2015 · 10b1b14 · 10b1b14
2 parents 8b78017 + 1fe6cd9
commit 10b1b14
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/examples/alchemical-free-energy/alchemical_analysis.py b/examples/alchemical-free-energy/alchemical_analysis.py
@@ -242,7 +242,7 @@ def plotOverlapMatrix(O):
    if regular_estimate:
       if P.overlap: 
          print "The overlap matrix is..."
-         O = MBAR.computeOverlap('matrix')
+         O = MBAR.computeOverlap()[2]
          for k in range(K):
             line = ''
             for l in range(K):