§00 · BLOG Tutorials, tips
Tutorials, tips
& updates.
Learn how to get the most out of molecular dynamics simulations with Jungular.
Tutorial
Relaxing an MD Structure: Three Techniques Before You Hit Run
Gradient descent, NVE-limit, and a soft-core pushoff — three ways to relax a starting structure so your MD simulation runs, demonstrated live in Jungular.
TutorialHow to Equilibrate a Polymer System: Two Practical Methods
Two practical protocols for equilibrating a polymer melt in molecular dynamics — slow compression and slow cooling — walked through end-to-end and demonstrated on PMMA in Jungular.