Recently I came to know that ovito added angle, dihedral, impropers when exporting to lammps data file in their development build. I am working with 2D TMDs but when using VMD topotools it could not guess my bonds properly. So I added bonds using ovito but I also need angles associated. Can anyone tell me how can I export angles using ovito?
Hi, I think you posted the same question in the forum on the OVITO website. Let’s continue the discussion there:
Topology calculation for a complete LAMMPS data file export – Forum – OVITO