Pinned Loading

1. Enhanced-Sampling-in-AMBER-tutorial Enhanced-Sampling-in-AMBER-tutorial Public

   Tutorials on doing AMBER based Metadynamics and Gaussian Accelerated MD (GaMD)

   Python 2 1

2. NEP-GPUMD-tutorial NEP-GPUMD-tutorial Public

   An example of training a NEP potential on Pt@zeolite database and running a GPUMD simulation

   Shell

3. ParGaMD ParGaMD Public

   Parallelizable Gaussian Accelerated Molecular Dynamics

   Shell 3 1

4. Data_Au_Zeo_Diffusion Data_Au_Zeo_Diffusion Public

   Supporting Data for "Stability and Dynamics of Zeolite-confined Gold Nanoclusters"

   Jupyter Notebook

5. ParMetaD ParMetaD Public

   GPU Parallelizable Metadynamics simulations

   Shell

6. AMBER-Tutorial-Alanine-Dipeptide AMBER-Tutorial-Alanine-Dipeptide Public

   Readymade file for the AMBER tutorial on the simulation of Alanine Dipeptide

   Shell