MD Simulation Data for the protein and RNA-Polymerase-peptide complexes

This dataset contains: 1. Modelled structures of RNA polymerase catalytic domain. 2. The input and output files from MD simulations performed on protein and protein-peptide complexes. Each folder includes: md_0_100.xtc - Trajectory file coordinates structure of protein and docked protein-peptide complexes - initial model protein used for simulation topol.top - Topology parameter