diff --git a/examples/example_02/input.yaml b/examples/example_02/input.yaml index e994986..407704f 100644 --- a/examples/example_02/input.yaml +++ b/examples/example_02/input.yaml @@ -29,6 +29,7 @@ md: timestep: 0.001 thermostat_damping: 0.1 barostat_damping: 0.1 + equilibration_control: nose_hoover queue: scheduler: local