Recopilation of different scripts used for my MD analysis
Contains bash scripts with cpptraj commands inside Parameters to be passed are name conventions of my files
Python scripts to analyze MD data. Automatize as well the production of plots.
Inputs for the MD simulations and PBS/Bash scripts to run the jobs in HPC or local machines with GPUs
Starting to use Python scripts to implement MSM analysis on MD data using MSMbuilder/MDtraj
R commands to produce plots from analysis of MD data usually coming from cpptraj analysis.
Dotfiles or other stuff that doesn't fit in any of the categories above