The interplay between perform_endstate_correction and return_endstate_correction

[xiki-tempula]

Hi, I used to do

r = perform_endstate_correction(fep_protocol)
mean, err = return_endstate_correction(r, direction='forw')

However, I cannot do this anymore as perform_endstate_correction returns AllResults, while return_endstate_correction expects FEPResults or NEQResults.

I wonder if I could have some help on this, please? Thank you.

[wiederm]

Hi @xiki-tempula ,

The signature of the function has changed. Can you please try:
mean, err = return_endstate_correction(r.neq_results, direction='forw')

[xiki-tempula]

@wiederm Great. Thanks.