Raw data for a coarse-grained simulation of the association of selected tri-heptapeptides in UNRES

This set contains data fr the related article.It contains files xy_aggregation.dat (e.g., kffd_aggregation.dat), with the temperature in the first column and the fraction of monomer, dimer, ..., 320-mer in the subsequent columns [f_m of Equation (2)]and the PDB files of all 5 clusters for each system obtained at temperatures 270, 290, and 310 K in UNRES representation. The oligopeptide sequence and temperature at which clustering was carried out are parts of filenames, e.g., kffd_wham_last_T290K_ave.pdb.See readme.txt for details.