hello everyone,

The total number of molecules in the simulated saline solution system is about 600. We want to get the microstructure of the aqueous solution.

First, use the NVT, NPT and NVE of forcite for optimization.

Then I want to use DMOL3 to perform quantum mechanical calculation on the results obtained by forcite's NVE, but I don't know how to import forcite's NVE results into DMOL3 for calculation,

Can someone help me? Thank you in advance.