When to Add Custom Index Groups in GROMACS Simulations?

Working with GROMACS simulations often requires a deeper level of system customization—especially when analyzing specific molecular interactions or controlling particular subsets. If you’re looking to pull a specific group of atoms or analyze a charged residue cluster, you probably need…

Clean, Try, Switch: A Better Way to Manage Your SAMSON Extensions

As a molecular modeler, your workflow is often enhanced by specialized tools—automated docking assistants, visual analysis aids, simulation bridges, and more. But managing all these tools—knowing what’s installed, trying new features, dealing with limitations based on your current plan—can sometimes…