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For those less familiar with pandas it would probably be helpful to give an example of GROMACS analysis where two lambda values are changed simultaneously; right now the docs only give an example with a single lambda variable, which makes the syntax less complex. For two dimensions I ended up with something like mbar.delta_f_.loc[[(0.0, 0.0)], [(1.0, 1.0)]] but figuring out the right placement of brackets and parens was tricky to me (I'm still a pandas newb).
The text was updated successfully, but these errors were encountered:
For those less familiar with
pandas
it would probably be helpful to give an example of GROMACS analysis where two lambda values are changed simultaneously; right now the docs only give an example with a single lambda variable, which makes the syntax less complex. For two dimensions I ended up with something likembar.delta_f_.loc[[(0.0, 0.0)], [(1.0, 1.0)]]
but figuring out the right placement of brackets and parens was tricky to me (I'm still a pandas newb).The text was updated successfully, but these errors were encountered: