Hello, I chose Dreiding force field for my molecular dynamics simulations.
After building models in Materials Studio, I export .mdf and .car files. (I use either Forcite or Discover, or both)
In msi2lmp and the module Discover, I could not select Dreiding, so I have assigned force field parameters manually.
(Assigning force field parameters by hand for one or two models is fine, but the more models I deal with, the more time I must use.)
I have troubles in exporting .mdf file calculated by Dreiding force field and converting the files to lammps input data file.
How can I use msi2lmp and materials studio to generate the input data file and the Dreiding force field parameters?
After building models in Materials Studio, I export .mdf and .car files. (I use either Forcite or Discover, or both)
In msi2lmp and the module Discover, I could not select Dreiding, so I have assigned force field parameters manually.
(Assigning force field parameters by hand for one or two models is fine, but the more models I deal with, the more time I must use.)
I have troubles in exporting .mdf file calculated by Dreiding force field and converting the files to lammps input data file.
How can I use msi2lmp and materials studio to generate the input data file and the Dreiding force field parameters?