Solving the Input Headache before NVT Equilibration

Before running a molecular dynamics simulation, equilibration is a critical step to prepare your system properly. But here’s the catch: many users—whether beginners or advanced—often spend unnecessary time managing input files and parameters for NVT equilibration. If you’re using the…

Drawing Carbon Nanotubes with a Mouse? Yes, It’s That Simple.

For molecular modelers exploring nanostructures, building carbon nanotube (CNT) models can often feel like a tedious and highly technical process. Whether you’re designing drug delivery systems, studying electronic properties, or simulating mechanical behavior at the nanoscale, getting the structure right…