Dear all,

In the Materials Studio, there are modules about different calculation scales.

For example, the DMol3 module is based on the quantum mechanics unlike the Forcite which based on the molecular mechanics theory.

The convergence tolerance in the DMol3 plays vital role in optimization calculation.

On the other hand, the convergence tolerance in the Forcite seems not that important like DMol3.

Because, in the result file of the Forcite often printed out the message that the structure did not converged finally.

What is the difference between these two for?

Thank you.