Question about modeling using Dreiding Force Field

LAMMPS LAMMPS Mailing List Mirror
1

Hello lammps-users,
I am going to use Lammps to simulate Ploymers with DREIDING force field.I am not familiar with this force field.I want to know if i can use some softerware to model the molecules and convert it into Lammps data file with DREIDING force field automaticlly,just like i used to use Material Studio for modeling with cvff force field and use msi2lmp for converting. what is the name for it and where can i get it ?

yours,sincerely

Kang Jingtian

2

I don’t know of a tool to automatically convert/setup a Dreiding model.

However, Dreiding will have far fewer params than a class 2 (cvff) force
field, so it might not be as hard as you are thinking.

Steve