Compatibility with pymbar 4

choderalab / openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

http://openmmtools.readthedocs.io

MIT License

244 stars 76 forks source link

Open mattwthompson opened 1 year ago

mattwthompson commented 1 year ago

Are there plans to update this to work with the new pymbar? Is this something that I could help out with?

ijpulidos commented 1 year ago

I don't think we have immediate plans for this, but I believe this is something we do want to support. Any help is appreciated! Thanks!