This repo contains the example files from the molecular dynamics / Langevin analysis of DNA that I started in 2020. The example directory contains code and short sample trajectories to run through this analysis.
This code is written to be run on a Linux machine with the following installed:
- python 3.7+
- GROMACS
- gfortran
- physt (https://github.com/janpipek/physt)
Some additional information on this analysis can be found in the following repository and the citations therein: https://github.com/GuenzaLab/LE4PD