Dear Axel
I recently began to study graphene oxide in which I had epoxy groups (O bonded to two adjacent C). When I export data files for lammps, I noticed topotools gives O-C-C-O and C-O-O-C dihedrals with the same id for 1st and last species. I was using topo1.7.
Kind regards,
Movaffaq
Dear Axel I recently began to study graphene oxide in which I had epoxy groups (O bonded to two adjacent C). When I export data files for lammps, I noticed topotools gives O-C-C-O and C-O-O-C dihedrals with the same id for 1st and last species. I was using topo1.7. Kind regards, Movaffaq