MD simulation trajectories associated to the publication: Multi-eGO: model improvements towards the study of complex self-assembly processes

The three tgz compressed files include the simulations data and resulting trajectories for the three systems discussed in the work. In particular: ab42.tgz includes a random_coil simulation, the multi-eGO simulation of the monomer performed in triplicate and the simulations performed with the original multi-eGO model. ttr.tgz includes the randomcoil simulations for both the intramolecular as well as the intermolecular interactions at the three different concentrations, the simulation of the monomer performed in triplicate, and the aggregation kinetics performed in triplicate at the three reported concentrations protein_g.tgz includes the reference GB1 simulation, a randomcoil simulation and the 200 multi-eGO folding simulations.