Update the null_energy value to match SOMD2. [ci skip]

lohedges · lohedges · commit 377e5c522c3c · 2025-11-07T10:34:29.000Z
diff --git a/src/sire/mol/_dynamics.py b/src/sire/mol/_dynamics.py
@@ -1072,7 +1072,7 @@ def run(
         if null_energy is not None:
             null_energy = u(null_energy)
         else:
-            null_energy = u("10000 kcal/mol")
+            null_energy = u("1e6 kcal/mol")
 
         if num_energy_neighbours is not None:
             try:
