Topologically Directed Simulations Reveal the Impact of Geometric Constraints on Knotted Proteins

This repository contains code and data for the Kremer-Grest polymers and Growing Walk Model topological simulations from the paper "Topologically Directed Simulations Reveal the Impact of Geometric Constraints on Knotted Proteins". Knoto-ID is a crucial dependency for our computations. You can either compile it from source or download a pre-built executable from its GitHub repository