Hands-On Molecular Modeling: Learn by Doing in SAMSON

One of the most common frustrations that new users face when starting with molecular modeling platforms is the sheer complexity of tools and workflows. Even with excellent documentation, the transition from reading about a feature to applying it on your…

Custom Index Groups in GROMACS Made Easy with SAMSON

If you use GROMACS for molecular dynamics simulations, you’ve likely encountered the concept of index groups. While GROMACS automatically generates standard groups (like Protein, Solvent, etc.), custom index groups are essential when you need fine control during analysis or for…

Quickly Identify Side Chains by Name, Charge, Size and More

If you’re modeling biomolecular systems, navigating large molecules to find specific side chains with certain characteristics can be time-consuming. Whether you’re optimizing a binding site, running electrostatics calculations, or preparing a molecule for coarse-grained simulations, filtering side chains by their…

Selecting Atoms Like a Pro in SAMSON: An Introduction to NSL

When working with complex molecular systems, selecting atoms for visualization, editing, or analysis can quickly become overwhelming. Whether you’re developing a new molecule, importing data from experimental studies, or running simulations, you’ll often need to isolate parts of a system—like…