Before You Pull a Molecule, Give It Room to Move

A center-of-mass pulling simulation can look straightforward: choose two molecular groups, pick a direction, and apply a pulling coordinate. But there is a less obvious source of trouble: the periodic box. If it is too short along the pulling direction,…

Give Molecular Presentations a Clear Visual Frame

A molecular presentation can be scientifically clear and still be difficult to follow if its background changes abruptly, competes with the structure, or makes a slide image hard to read. Backgrounds are part of the viewing experience: they help set…