Show Posts

This section allows you to view all posts made by this member. Note that you can only see posts made in areas you currently have access to.

Messages - vindejf

Pages: [1]

I am a new user of both Quantum ATK and molecular dynamics simulation. I noticed that there is a need to add in partial charges, bond potential parameters for different atoms of an organic compound for simulation. It can be found in the atom tags section of the tutorial.

Can I know where do I get those values?

Thank you.

Pages: [1]