search

choderalab / pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)
http://pymbar.readthedocs.io
MIT License
235 stars 91 forks source link

Small README fix - no import of MBAR #434

Open atharva-kelkar opened 2 years ago

atharva-kelkar commented 2 years ago

Hi,

In the README, there should be the following line:

>>> from pymbar import testsystems, MBAR

instead of only

>>> from pymbar import testsystems

The MBAR class used in the trial problem but not imported

mikemhenry commented 2 years ago

@atharva-kelkar Thank you for brining this to our attention! Are you interested in making a pull request (PR) to fix this error?

atharva-kelkar commented 2 years ago

Yes, I will do that. Some other typos/outdated things in the README as well - I will also fix those.

mikemhenry commented 2 years ago

Thanks!