How to include a new force field (potential energy and forces)

[SoDantas8452]

Dear All,
I would like to know: is it possible to include a new force field?
For instance: like a dissipative particle dynamics force field.
There is a road map to include a new force field?
Best regards!
Sócrates

[jgreener64]

Standard molecular mechanics force fields can be used by providing the OpenMM XML files, see for example https://github.com/openmm/openmmforcefields.

Dissipative particle dynamics would probably have to be implemented as a custom simulator, see src/simulators.jl for examples.

[SoDantas8452]

Hello jgreener64,
Thank you! I will look at simulators.jl to figure out how to include a new one.
Best Regards,
Sócrates