diff --git a/mdagent/tools/base_tools/analysis_tools/salt_bridge_tool.py b/mdagent/tools/base_tools/analysis_tools/salt_bridge_tool.py index 341b0678..8b42ec7a 100644 --- a/mdagent/tools/base_tools/analysis_tools/salt_bridge_tool.py +++ b/mdagent/tools/base_tools/analysis_tools/salt_bridge_tool.py @@ -65,7 +65,7 @@ def find_salt_bridges( donor_atoms = self.traj.topology.select(f'resname == "{pair[0]}"') acceptor_atoms = self.traj.topology.select(f'resname == "{pair[1]}"') - if not donor_atoms or not acceptor_atoms: + if donor_atoms.size == 0 or acceptor_atoms.size == 0: continue donor_nitrogens = [ # N atoms in the donor residues (e.g. Arg, Lys, His)