Dear all
I`m trying to add Clay-FF into Forcite module to simulate the tobermorite. However, it seems something wrong in result files after the Geometry Optimization. The bond length and angle has been changed to a strange form, then I try to type charge with automatically and manually, the result is same.
In fact, there are many articles which apply the Clay-FF to simulate, and the CSH-FF is the reparameterization of the Clay-FF.
Attachment is the result file of the simulation.
What cause that happen? Anyone meet this situation?
Anyone has suggestions about these problems? Thank you
I`m trying to add Clay-FF into Forcite module to simulate the tobermorite. However, it seems something wrong in result files after the Geometry Optimization. The bond length and angle has been changed to a strange form, then I try to type charge with automatically and manually, the result is same.
In fact, there are many articles which apply the Clay-FF to simulate, and the CSH-FF is the reparameterization of the Clay-FF.
Attachment is the result file of the simulation.
What cause that happen? Anyone meet this situation?
Anyone has suggestions about these problems? Thank you
