Hi Lammps Users,
For example, while computing RDF for ethyl benzene, carbons in benzene is different from the carbon atoms in the aliphatic chain.
How to get the RDF of carbon atoms in aliphatic chain?
Subashini.K
Hi Lammps Users,
For example, while computing RDF for ethyl benzene, carbons in benzene is different from the carbon atoms in the aliphatic chain.
How to get the RDF of carbon atoms in aliphatic chain?
Subashini.K
Hi Lammps Users,
For example, while computing RDF for ethyl benzene, carbons in benzene is
different from the carbon atoms in the aliphatic chain.How to get the RDF of carbon atoms in aliphatic chain?
with a normal force field, those atoms will have different atom types.
-> it will work automatically.
...and if you are using a reactive/many-body force field (e.g. AIREBO,
ReaxxFF) where the parameters are the same, you can *still* define
those as different atom types in LAMMPS, and then map those to the
same element in the force field in the pair_coeff settings.
axel.