md-starters provides sample code for preparing and analyzing molecular dynamics simulations, mainly for membrane proteins.
This repo records scripts for preparing and analyzing molecular dynamics simulations, mainly for membrane proteins. It contains setup scripts created from CHARMM-GUI that are compatible with NAMD, a molecular dynamics software. In addition, there are analysis scripts using CPPTRAJ, a MD analysis software and other analysis scripts written in Python. It serves as an initial guide to running membrane protein simulation and running analysis to understand the functions and dynamics. Whether you're new to membrane protein simulation or seeking to deepen your understanding of protein functions and dynamics, this repository offers a resource to guide you through the process.