simtk.org

Hello, I have come across the PLUMED plugin for OpenMM on the web and would like to use it in order to avoid Amber. Is there documentation somewhere for using the plugin?

Thank you!

Joe

The installation instructions are at https://github.com/peastman/openmm-plumed. As far as using it, there's very little to say, and the usage is documented in the header file at https://github.com/peastman/openmm-plum ... medForce.h. You create a PlumedForce object, passing the Plumed script to the constructor as a string. That's it.

Peter

Ah, perfect, sorry I missed that. Thanks, Peter!

-Joe

Hi Peter,

Can this be done within a Python script?

Thanks,
Joe