Dreiding in "Lammps" and "Mayo"!

Is the dreiding force field given in the Lammps manual ( " hbond/dreiding" styles ) same as the force field given in" Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 (1990)"?

I am trying to use the Dreiding ff but I have no idea how the description given in lammps in the manual is related to the exponential function of Dreiding in the literature.
I appreciate your comments.

I don't know for sure, but the lammps manual certainly indicates this.
"Style hbond/dreiding/lj is the original DREIDING potential of (Mayo)"
and click on the (Mayo) link.
Am I missing something?
(Cool. I've never heard of the dreiding potential before.)

Thanks Andrew, but I am confused why the function for potential in that page of the Lammps manual is very different with the function for potential or ff in the Mayo! I can not define the parameters to use lammps with given parameters in the literatures.


I’m not sure what you’re asking. The Lennard Jones h-bonding potential listed on the LAMMPS website has the same functional form as in the Mayo paper. If you’re asking how to use exponential-6 functions in LAMMPS, see the documentation for the Buckingham potential: the two are related by simple formulas that you can derive or look up in any standard MD textbook.


This is a good question for Tod Pascal, who did the
Dreiding implementation in LAMMPS. I think there
are variants of Dreiding, e.g. with LJ or Morse kernels,
but Tod can clarify.