Hi, I am starting to use Avogadro to build MD model. I want to build a water box with several type of ions (Cu2+,SO42-…) and crystal inside the box. I think this task could divided into these procedures:
- Build a box larger than a supercell of crystal.
- Fill water in the box.
- Add ion into water. Then user energy minimization.
How to do these procedures. Any suggestion is appreciated. Thank you.