| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3602 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-755161_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5021 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-152913_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1338 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-264744_3_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7486 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-137191_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3066 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-219531_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6347 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-206646_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3456 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-211779_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7646 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-103638_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6571 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-52193_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN829 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1241327_3_1 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10532 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-60033_3_2 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7678 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6734171_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2798 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-72730_3_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN417 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1705754_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5249 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-128715_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1026 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1258964_3_2 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1447 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-331828_4_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10085 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-138676_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1424 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1715993_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN696 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-364992_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3997 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-114805_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7980 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1724086_1_4 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2906 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-248178_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2284 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1655797_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN343 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-95639_1_2 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN827 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-303908_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6287 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-83558_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3720 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-233678_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8734 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-85853_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9063 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-210552_3_1 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1212 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-246747_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6507 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1718194_1_1 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6267 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-304135_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2854 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-146174_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7466 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7465954_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7698 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1073533_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11002 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-215799_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10082 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-19542_4_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10029 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-77359_3_2 | 
      
         | 
    −1.9 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8202 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-182758_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4037 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7549555_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3785 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-128463_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3512 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-307084_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1228 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1600517_3_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9161 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-872798_3_1 | 
      
         | 
    −1.9 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN292 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-171766_4_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2100 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-82179_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7904 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-211203_3_2 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7756 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-19515_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1420 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-221518_3_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6379 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-207959_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN965 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-77006_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN439 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-74089_3_1 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4441 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1605566_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1066 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-10170_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4665 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-731622_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN682 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7456499_2_1 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5251 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-300217_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||