Tools for investigating hydrogen bonding

What would be the best tool to investigate local molecular organization in liquid mixtures due to hydrogen bonding?


For example, I might want to look at how water molecules hydrogen bond to [PNIPAM](https://en.wikipedia.org/wiki/Poly(N-isopropylacrylamide)#Chemical_and_Physical_Properties) vs with itself.


Qualitative analysis would be good (does one type of site preferentially hydrogen bond with a specific other site) but quantitative would be even better (enthalpy of h bonds and entropy reduction due to local organization).


What is a good way to look into this?


