Currently I use Gromacs to perform molecular dynamics of set cement. I have tried to make it with monoclinic structure of tobermorite 11A, orthorombic structure of tobermorite 11A and monoclinic structure of tobermorite 14A, but none of them have worked. When I try to do the energy minimization, the force is too big and Gromacs just can not minimize my structure.

If anyone has done it, I would be really thankful with your help