Description of work
Adds the option of writing fixed (time independent) partial charges into a trajectory using TrajectoryEditor. Also, TrajectoryEditor will now replace MoleculeFinder.
closes #525
closes #331
Fixes
Added PartialChargesConfigurator to TrajectoryEditor,
Added charge writing to TrajectoryEditor.
Added molecule search to TrajectoryEditor.
To test
Try setting charges in different trajectories. The output trajectory should preserve the original charges and overwrite those that were explicitly set in the inputs.
Description of work Adds the option of writing fixed (time independent) partial charges into a trajectory using TrajectoryEditor. Also, TrajectoryEditor will now replace MoleculeFinder.
closes #525 closes #331
Fixes
To test Try setting charges in different trajectories. The output trajectory should preserve the original charges and overwrite those that were explicitly set in the inputs.