Skip to content

Latest commit

 

History

History
13 lines (7 loc) · 1.14 KB

drafts.md

File metadata and controls

13 lines (7 loc) · 1.14 KB

User friendly molecular dynamics simulation combining GROMACS and Google Colab: A complete guide

Flowchart

Notebooks:

[Not working Previous notebooks]

  1. Engelberger et al 2021 Open In Colab Simulation using Engelberger et al 2021

  2. Colab MD Simulation Open In Colab Using GROMACS to perform protein in water simulation. [No more functional; please follow number 04 which is fixed /w gmx 2023x]

  3. Colab MD Analysis Open In Colab Using MDAnalysis and MDtraj to perform MD trajectory Analysis.