Dear All…
The Non-bonded electrostatic of my PDMS is a combination of lj and Reaction Field Model. But i am unable to find the correct pair style for the Reaction field model in Lammps. So could you please help me with this problem or which one can be the best replacement for Reaction Field Model. Also suggest me the K Space for the Reaction Field Model. I am using Charged Atoms.
Thanks In advance…
Best Regards
Reddy
Dear All..
The Non-bonded electrostatic of my PDMS is a combination of lj and
Reaction Field Model. But i am unable to find the correct pair style for the
Reaction field model in Lammps. So could you please help me with this
reaction field is outdated and obsolete. is also is a short-range only method.
problem or which one can be the best replacement for Reaction Field Model.
*any* of the available long-range solvers are superior to reaction field.
Also suggest me the K Space for the Reaction Field Model. I am using Charged
Atoms.
it would not make much sense to do long-range electrostatics without
charged atoms...
axel.