Simulating improper interactions

[amruthesht]

Hello All,

I'm trying to simulate the DREIDING force field with its specific improper interaction. Is there an implementation in hoomd that can be translated into this? LAMMPS has one; any version available in hoomd would be of great help; thank you!

Best,
Amruthesh

[joaander]

I welcome pull requests from the community that add widely used methods. Due to licensing, I am not able to accept code that is copied from LAMMPS.

Users are welcome to extend HOOMD-blue with custom components that implement project-specific methods. The hoomd-component-template provides everything you need to get started.