Dear users,
I would like to divide my atomistic system into groups of atoms via chunk/atom command and then compute the RDF of these groups of atoms (not the rdf of the atoms themselves).
I would appreciate your suggestions.
Sincerely,
Melika Vokhshoorikoohi
Dear users,
I would like to divide my atomistic system into groups of atoms via chunk/atom command and then compute the RDF of these groups of atoms (not the rdf of the atoms themselves).
you cannot. compute rdf *requires* to have atom coordinates as input.
also, it is not clear, what would be the coordinate, that would be
used for the g(r) of a chunk. compute chunk/atom merely adds a chunk
id to each atom.
axel.