Input Files for Molecular Dynamics of E. coli Ribosome Stalled by SecM(Ms)

This repository contains the input files to run the MD simulations for "Single-residue effects on the behavior of a nascent polypeptide chain inside the ribosome exit tunnel" The main simulations described in the manuscript are available in the "ModelsBasedOn3JBU" folder. For each system (G, K, N, and Control), there is a folder containing the input files. The input files for the test system, built based on 8qoa, but using the SecM(Ms) sequence, can be found in the "ModelsBasedOn8QOA" folder.