Switch from u_kln to u_kn in examples

choderalab / pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

http://pymbar.readthedocs.io

MIT License

240 stars 93 forks source link

Switch from u_kln to u_kn in examples #542

Open mrshirts opened 2 months ago

mrshirts commented 2 months ago

We want to be emphasizing the easier to understand / less memory intensive u_kn formatting (while not dropping support for u_kln, so should rewrite examples.

Timeline: next overhaul (hopefully end of 2024)?