RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1 | MAT-POS-8a69d52e-7_1 | JOH-SUS-a69c159d-6_1 | −1.87 ± 0.08 | ||||||||
RUN3 | MAT-POS-8a69d52e-7_1 | JOH-SUS-a69c159d-7_1 | −1.82 ± 0.08 | ||||||||
RUN0 | MAT-POS-8a69d52e-7_1 | JAG-UCB-706446eb-3_1 | 2.4 ± 0.2 |