Comparative performance of coarse-grained IDP models at different resolutions

Files for simulations. Molsim start scripts and final outputs, MARTINI Stark start scripts (including force field files, and some intermediate data). Not all intermediate data available, but all data necessary to reproduce simulations should be included.

MARTINI simulations follow the procedure "Dry energy minimization" -> "Solvation" -> "Salting" -> "Energy minimization" -> "NVT equilibration" -> "NPT equilibration" -> "Production Run", where the output from the previous step is the input into the next step. For some folders, the output from previous step has been copied, but not always. In case of another simulation, but using a bigger box, some files from the simulation with smaller box were re-used. Thus, if a file seems to be missing, check the folder with corresponding simulation using a smaller box.

Some "analysis files" are included, e.g. the radius of gyration for each time step, in order to allow for the reproduction of graphs in upcoming publication, and further exploration.