There are various problems with your input script, but the most important is how the parameters of the GB potential are defined. From the table you posted, I would have used
pair_coeff * * 105.99 11. 0.1167 0.1167 1 0.1167 0.1167 1 125
I have no time to read the papers you suggested, but the first step is to compare the results of new simulations with the published ones.
Could you verify what is the effect of the pressure on the properties of the platelets? I have started a thread on the computation of pressure for atom_style ellipsoid, it would be good to report the outcome of the attached input file, where I have made a few changes for you to review.
test02.in (1.9 KB)
