How to Define the Right Box Size for COM Pulling Simulations

When preparing a molecular dynamics simulation involving center-of-mass (COM) pulling, one challenge that often arises is correctly sizing the simulation box. Too small, and you risk violating periodic boundary conditions; too large, and computational resources are unnecessarily wasted. This blog…

When Atoms Appear: A Gentle Way to Build Molecular Stories

When working with molecular systems, storytelling isn’t just helpful—it’s essential. Whether you’re trying to communicate a complex biochemical process or guide someone through your model step by step, the way you present atoms and interactions makes all the difference. One…

Taking Control of Measurement Labels in SAMSON

If you’re working in molecular modeling, managing vast amounts of spatial and chemical information becomes second nature. But presenting this data clearly, especially in shared research files or publications, isn’t always easy. One recurring challenge is how to make measurements…

Running GROMACS Simulations in the Cloud Without Leaving SAMSON

For many molecular modelers, the challenge of running large-scale simulations often starts after system preparation. While GROMACS is a powerful molecular dynamics package, deploying simulations on the cloud or HPC infrastructure can be time-consuming and complex—especially for users without experience…

Keeping Your Camera Still While Animating in SAMSON

When creating molecular animations in SAMSON, many users face a recurring issue: the camera suddenly shifts view between frames, disrupting the flow and clarity of their animations. This often happens when camera settings are not explicitly defined across the timeline,…