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pablo-arantes authored Mar 23, 2024
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Expand Up @@ -31,6 +31,12 @@ The main goal of this work is to demonstrate how to harness the power of cloud-c

10. **DRUDE** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/pablo-arantes/making-it-rain/blob/main/Drude.ipynb) - `Using inputs from CHARMM-GUI Drude Prepper`

**UPDATE (March 2024)**

11. **Protein-Membrane simulations** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/pablo-arantes/making-it-rain/blob/main/Protein%2BMembranes.ipynb) - `Using OpenFF to generate the topology and build the simulation box for protein-membrane systems with AMBER force fields.`
12. **Martini+cg2all** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/pablo-arantes/making-it-rain/blob/main/Martini%2Bcg2all.ipynb) - `Utilizing Vermouth, the Python library that powers Martinize2, to generate the topology and build the simulation box for protein systems using Martini force fields. Additionally, employing cg2at to predict all-atom trajectories from coarse-grained (CG) representations.`
13. **AMBER Mutations** [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/pablo-arantes/making-it-rain/blob/main/Amber_mutations.ipynb) - `Performing mutations on protein/nucleic acid systems and utilizing AMBER to generate the topology and build the simulation box.`


## Bugs
- If you encounter any bugs, please report the issue [here](https://github.com/pablo-arantes/Making-it-rain/issues).
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