Topics created by Andrea

Hi Andrea, sorry for the delay. Typization is normally performed automatically (this is a benefit of this SAMSON Element, as described in the paper Artemova, S., Jaillet, L., & Redon, S. (2016). Automatic molecular structure perception for the universal force field. Journal of computational chemistry, 37(13), 1191-1205.). The typization functions are there when you know for sure that you would like to use a different typization, but even then you should refer to the original UFF paper to make sure this is what you want.

Dear @Andrea ,

We have updated the Lennard-Jones Interaction Model SAMSON Element, now you can set the smaller epsilon parameter. The SAMSON Element should be updated automatically once you launch SAMSON with an Internet connection.