One of the most common issues in molecular modeling workflows involving GROMACS is encountering errors at the start of the production molecular dynamics (MD) simulation. These errors often stem from incorrect or incompatible input files — a pain point many…

One common roadblock that molecular modelers face is figuring out the value of software extensions before committing to a purchase. You may have found yourself wondering whether a particular tool in the SAMSON ecosystem will be useful for your modeling…

When working with molecular systems, precision and efficiency are key. Whether you’re preparing a structure for simulation, cleaning up a molecular model, or editing multiple atoms after selection, being able to quickly inspect and modify properties is a recurrent challenge…

In collaborative research environments, showcasing who you are and what you’re working on has become more than just a convenience — it’s a necessity. For molecular modelers using SAMSON Connect, the new public profiles offer more than just a digital…

Editing molecular structures interactively is often a challenge. A small change can provoke a cascade of inconsistencies, especially when bond orders, atom types or valence states must remain chemically realistic. What if your simulation tool helped you maintain chemical plausibility…

Comparing protein structures often requires more than just global alignment. In many molecular modeling projects, only a specific domain or region—such as an active site, a loop, or a conserved helix—is of interest. Aligning full proteins may obscure meaningful local…

Running a production Molecular Dynamics (MD) simulation can be both exciting and daunting, especially after spending valuable time setting up and equilibrating your system. But before pressing that Simulate button in the SAMSON GROMACS Wizard, it’s critical to double-check that…

Zooming into molecular structures is something every modeler does—whether to inspect active sites, focus a presentation on a ligand interaction, or refine an animation. But if you’ve ever been frustrated by a camera that zooms straight into a single point…