If you’re a molecular modeler running simulations locally, you may have encountered situations where the default GROMACS installation doesn’t fully meet your needs. Whether you require a specific version for reproducibility or want to leverage a custom setup installed on…

Stabilizing a molecular system’s temperature is a critical step in molecular dynamics simulations. If you’ve ever struggled with achieving this or felt unsure about how to begin, the NVT Equilibration step in the GROMACS Wizard is designed to simplify this…

Molecular modelers often face the challenge of juggling multiple tools, workflows, and platforms to get their jobs done. The switching between formats or systems can be time-consuming and frustrating. Here is where SAMSON Apps come into play: they streamline workflows,…

Molecular modelers often face the challenge of designing new molecule series to explore substitutions and assess their impact on molecular properties efficiently. How can you streamline this process without leaning on tedious manual edits? Enter positional analogue scanning in SAMSON’s…

Managing complex molecular simulations and predictions can often be a challenging task for molecular modelers. With large datasets, intricate workflows, and the demand for accuracy, keeping everything organized might feel overwhelming. Enter the Job Manager in SAMSON—a tool designed to…

As a molecular modeler, workflow efficiency is critical. Switching between tools, navigating menus, and handling repetitive tasks can slow down your pace and reduce productivity. SAMSON AI offers a solution to this pain point with its versatile /do command, designed…

High-DPI monitors are great for their sharpness and clarity but can cause certain software applications to display interface elements too small, making them hard to navigate. If you’re a molecular modeler using SAMSON on a high-DPI monitor and finding its…

For molecular modelers, working with molecules often involves juggling diverse files, formats, and workflows. How do you effortlessly manage this complexity and focus on your research? Enter SAMSON’s intuitive approach to loading and managing molecular structures. Opening Local Files Made…

For molecular modelers working on dynamic presentations or simulations, accurately capturing atomic trajectories can be a tedious yet crucial task. If you’re using SAMSON, the Record path animation offers a convenient and efficient way to record atomic movements and enhance…