Sandbox: Exploring RNA systems with espaloma force field (archived)

This repository contains scripts and input files to:

Simulate and analyze nucleosides using vanilla simulation
Run hamiltonian replica-exchange simulation and analyze tetramer systems

Manifest

experiment/ - directories and scripts to run simulations
- minimize-vacuum/
- nucleosides/
- tetramer/
envs/ - conda environment
- create-system-with-espaloma/environment.yaml - environment to create system using espaloma
- environemnt.yaml