diff --git a/src/somd2/config/_config.py b/src/somd2/config/_config.py index 6626168..7733371 100644 --- a/src/somd2/config/_config.py +++ b/src/somd2/config/_config.py @@ -1033,6 +1033,9 @@ def lambda_schedule(self, lambda_schedule): lever="morse_soft", equation=1 - self._lambda_schedule.lam(), ) + self._lambda_schedule.set_equation( + stage="restraints_off", lever="morse_hard", equation=0 + ) self._lambda_schedule.set_equation( stage="restraints_off", lever="bond_k",