By Devasena Inupakutika and Steve Crouch, Software Sustainability Institute, and Richard Bradshaw, University of Southampton.
By Devasena Inupakutika, Steve Crouch and Richard Bradshaw
Computer simulations are a good way to study molecular interactions. There have been striking advances in the application of computer simulation to innovative complex systems that have shed light on phenomena across the breadth of modern chemistry, biology, physics and drug design. ProtoMS (short for Prototype Molecular Simulation) is one such major piece of Monte Carlo biomolecular simulation software. The Software Sustainability Institute is working with ProtoMS developers to review and…