Free energy calculations analysis

GROMACS version: 2021
GROMACS modification: Yes/No

Hi, I’m using gromacs to do free energy calculation, here is my result analysed by alchemical-analysis :

I’ve tried use more lambda window, but the overlap value seems not ideal enough.

Could someone give some suggestions to improve my result? Thanks!

I’ve found some clues here. Hope it helps someone encountered the same problem. Overlap matrix issues · Issue #101 · MobleyLab/alchemical-analysis · GitHub