search

drorlab / combind

Integrated physics-based and ligand-based modeling.
Other
61 stars 13 forks source link

Clarification on --native #4

Closed cmielke-vir closed 2 years ago

cmielke-vir commented 2 years ago

Is it possible to run the code without providing any --native structures?

jpaggi commented 2 years ago

Yes! Not providing any native structures is the standard way to use the method and is what we describe in our paper.

cmielke-vir commented 2 years ago

Roger that - I had some confusion on how the native distribution could be calculated without the provided structures. I'll dig deeper into the paper to better understand this.