Author: OneAngstrom

For molecular modelers, setting up GROMACS can often be a lengthy and complex process involving multiple dependencies, manual compilation, and configuration. If you’ve ever struggled with installing GROMACS or spent hours resolving compatibility issues, you’re not alone 🎯. Fortunately, SAMSON…

When working with biomolecular simulations, especially in large and complex systems, index groups are essential. They define subsets of atoms in your system and can be used during simulation setup, analysis, or when applying constraints or forces. GROMACS automatically creates…

When designing molecular animations, it’s often not enough to just make things move — you want to be able to capture that motion for playback, export, or deeper analysis. If you’ve ever struggled to precisely reconstruct an animation sequence or…

When presenting molecular simulations or designing compelling molecular animations, controlling the visibility of specific molecular components becomes essential. Whether you’re showcasing the stepwise assembly of a macromolecular complex or highlighting a structural subunit midway through a simulation, managing how and…

One of the persistent challenges in molecular modeling and computational chemistry is staying organized. When molecular projects involve not only structures but also scripts, papers, datasets, and other types of files, managing and sharing all of these assets can become…

If you’ve ever struggled to make your molecular models look more three-dimensional, you’re not alone. Many molecular modelers face the same issue: molecules that should pop visually instead appear flat and lifeless. The culprit? Often, it’s the lack of ambient…

For molecular modelers and nanoscientists, building custom carbon nanotube (CNT) systems often involves complex steps and scripting. Whether you’re exploring nanoelectromechanical systems or modeling drug delivery channels, getting the right geometry can seem like a slow start. If you’ve ever…