Even if all these parameters are right, we do not know how long will it take for the system to assemble into the crystal structure. Experimentally, the self-assembly time is a few minutes to several hours. Clearly, it is not possible to simulate that long using MD simulation. Since we are simulating only a single periodic cell, the assembly time in simulation is expected to be smaller. However, it could still be too long for MD simulations, either CG or all-atom.