This repository contains parameter and configuration files needed to reproduce the results of the following manuscript: “cpSRP43 is both highly flexible and stable: Structural insights using a combined experimental and computational approach”, Mitchell Benton, Mercede Furr, Vivek Govind Kumar, Adithya Polasa, Feng Gao, Colin David Heyes, Thallapuranam Krishnaswamy Suresh Kumar, Mahmoud Moradi bioRxiv 2022.01.11.475959; doi: https://doi.org/10.1101/2022.01.11.475959

cpSRP43 folder contains the initial pdb and psf files as well as NAMD configuration file used to start the equilibrium simulations of cpSRP43 protein.

cpSRP43w54 folder contains the initial pdb and psf files as well as NAMD configuration file used to start the equilibrium simulations of cpSRP43 protein with a small segment of cpSRP54 bound to it.

SMD folder contains NAMD and colvars configuration files for the 4 consecutive SMD simulations as expalined in the method section of manuscript.