msi2lammps

Hello Dear Prof. Axell
i want to know if i use msi2lammps tools available in lammps directory, does it generate full version of lammps data file (that is, all the Atoms, Bonds, Angles, … and also Force Field Parameters)? or i need to assign Force Field parameters myself.
i think msi2lammps tools is very helpful for generating lammps data file for supermolecules such clay materials where definition of Angles and Dihedrals is very difficult ang needs special attentions.
your advice will be greatly appreciated
mohammadhasan

Hello Dear Prof. Axell
i want to know if i use msi2lammps tools available in lammps
directory, does it generate full version of lammps data file (that is,
all the Atoms, Bonds, Angles, ... and also Force Field Parameters)? or
i need to assign Force Field parameters myself.

why don't you just try and see for yourself.
you are (or want to be) a researcher, right?
this is how research is done! and rather
than waiting many hours for a reply, you
would have an answer in minutes.

i think msi2lammps tools is very helpful for generating lammps data
file for supermolecules such clay materials where definition of Angles
and Dihedrals is very difficult ang needs special attentions.
your advice will be greatly appreciated

i am not a great fan of commercial software.
i don't like to have to use something where
i cannot see how it is done or adjust or add
to my liking and needs.

there are alternate ways to do this and those
don't require to pay hefty license fees, but
rather requires some creativity and thinking.

axel.