Multibody molecular dynamics - #7
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This will resolve #6 |
If there are no bonds specified in the data file and you want to add bonds in the input file you need to tell LAMMPS that. That's done by adding kwargs to read_data command.
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Enables setting up multibody topology meaning all wheels and chassis are grouped as rigid bodies and the wheels are bonded to the chassis. The surface atoms are also grouped as a rigid body.
This required a lot of workarounds to figure out which atom belongs to which group. Also, the nanocar building should follow a particular procedure in order to group atoms correctly. This is a temporary solution before Avogadro plug-in architecture is improved. The limitations are listed in usage information.
Still working on setting up a physically meaningful simulation.