Error in Analysing the data for ABFE

[jjmallen]

Good day everyone

I have completed my ABFE calculation with gromacs and i have obtained my .xvg files. When I am trying to analyse the results using alchemlyb but I am getting the error attached in the picture. Kindly assist on how I can fix this error

[xiki-tempula]

Do you mind share the free energy data, please? Thanks.

[jjmallen]

Good day sir,
any update with the error I am having? kindly assist

[xiki-tempula]

I think there are some xvg files missing from the zip file, where I could only find 23 files out of the 30 lambdas.

[jjmallen]

Good day,

Sorry for taking so long to get back to you. I was fixing the simulation so that I could have all the xvg files. please find below the zip file for the files
complex.zip

[jjmallen]

and i am still getting the same error even with all the xvg files

[xiki-tempula]

I did

from alchemlyb.workflows import ABFE
wf = ABFE(dir='.', T=298)
wf.run()

This seems to run fine. Do you mind give it alchemlyb an update and see if it solves the problem?