diff --git a/Extras/parallel_assign/lib/remote.py b/Extras/parallel_assign/lib/remote.py index 3e6eb5c7..43e2b361 100644 --- a/Extras/parallel_assign/lib/remote.py +++ b/Extras/parallel_assign/lib/remote.py @@ -23,7 +23,14 @@ def load_gens(gens_fn, conf_fn, metric): METRIC = metric CONF = Trajectory.load_trajectory_file(conf_fn) gens = Trajectory.load_trajectory_file(gens_fn) + # Make sure the atom indices are not used when processing the generators. (There has to be a less ugly way to do this...) + # Create a copy of atomindices. + atom_indices = metric.atomindices + # Then set atomindices attribute temporarily to None when computing PGENS + metric.atomindices = None PGENS = metric.prepare_trajectory(gens) + # Restore atomindices after PGENS is created. + metric.atomindices = atom_indices PREPARED = True