Hi all, 

I'm interested in getting a license for Materials Studio to streamline the process of simulations that I typically carry out in the LAMMPS software. I already know that Material Studio outputs can be converted to LAMMPS via the external software's msi2lmp.exe routine. However, I'm interested in being able to use Materials Studio to carry out the process of identifying bond topology (all bonds, bond angles, dihedrals), atom typing and associated force field parameter assignment. In some cases, this may involve me initially importing pre-made structures into Materials Studio, and then adding to them with the molecule drawing capabilities.

I asked a representative at BIOVIA about this, and they have directed me to ask the question here.

Therefore please could somebody clarify whether Materials Studio can be used to carry out all three processes of bond topology detection, atom typing and force field parameter assignment?

Thank all for your guidance in advance.

Ethan