From 85642be997cea857633f21deca47bf9139e0845f Mon Sep 17 00:00:00 2001 From: Audrius Kalpokas Date: Tue, 31 Mar 2026 09:46:07 +0100 Subject: [PATCH] Fix missing restraints lever equation from ring_break_morph schedule --- src/somd2/config/_config.py | 3 +++ 1 file changed, 3 insertions(+) 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",