Turn on monte carlo override to remove pymbar averaging for md engine…

… data
mosdef-hub · Nov 8, 2024 · 2ef09ab · 2ef09ab
1 parent a0b29e4
commit 2ef09ab
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/reproducibility_project/waterspce_nist_subproject/subproject-analysis.py b/reproducibility_project/waterspce_nist_subproject/subproject-analysis.py
@@ -109,7 +109,7 @@ def _determine_sampling_information(
             threshold_fraction=0.75,
             threshold_neff=100,
             strict=strict,
-            monte_carlo_override=False,
+            monte_carlo_override=True,
         )