Default to perturbable_constraint="bonds_not_heavy_perturbed".

OpenBioSim · Mar 13, 2024 · 35513b2 · 35513b2
1 parent c913c7d
commit 35513b2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/somd2/config/_config.py b/src/somd2/config/_config.py
@@ -86,7 +86,7 @@ def __init__(
         coulomb_power=0.0,
         shift_delta="2A",
         constraint="h_bonds",
-        perturbable_constraint="h_bonds_not_perturbed",
+        perturbable_constraint="bonds_not_heavy_perturbed",
         include_constrained_energies=False,
         dynamic_constraints=True,
         com_reset_frequency=10,