diff --git a/src/bioemu/sidechain_relax.py b/src/bioemu/sidechain_relax.py index 0480291..d935a16 100644 --- a/src/bioemu/sidechain_relax.py +++ b/src/bioemu/sidechain_relax.py @@ -105,7 +105,7 @@ def reconstruct_sidechains(traj: mdtraj.Trajectory) -> mdtraj.Trajectory: for n, frame in enumerate(reconstructed[1:]): if frame.topology == concatenated.topology: concatenated = mdtraj.join( - concatenated, frame, check_topology=False + [concatenated, frame], check_topology=False ) # already checked else: logger.warning(f"skipping frame {n+1} due to different reconstructed topology")