I am trying to construct an epoxy system consisting of DGEBA monomers and TETA curing agents. I have managed to use the x-link script and also carry out the post-cross-linking equilibrium. The results I obtained seem to be consistent with the literature. However, I have a question now, I used Amorphous Cell calculation to pack the initial monomers and the curing agent inside a cell and then performed the cross-linking procedure. What I have understood from the literature and the manual is that the amorphous cell module by default packs the molecules inside a periodic cell. However, my system doesn't look periodic. Periodicity is ensured by having the image of an atom entering from the other side of the cell when the same atom exists from one side. I have attached the image of my system before cross-linking in original and in-cell display style. the same goes for after cross-linking. Could you please help me understand this?
Many Thanks,
Melika