| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN834 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-100830_2_1 | 
      
         | 
    1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1003 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-814104_2_1 | 
      
         | 
    1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN490 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-210246_1_1 | 
      
         | 
    1.9 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN128 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-8e4737f4-1_1 | 
      
         | 
    1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN726 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1702911_2_1 | 
      
         | 
    1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1304 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-23318_1_4 | 
      
         | 
    1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1074 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-212797_1_2 | 
      
         | 
    1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1618 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-172481_2_1 | 
      
         | 
    1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1786 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-265003_2_1 | 
      
         | 
    1.9 ± 0.7 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN472 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-62191_2_2 | 
      
         | 
    2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN118 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-8a69d52e-1_2 | 
      
         | 
    2.0 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN257 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    DAR-DIA-6a508060-5_2 | 
      
         | 
    2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN995 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-821316_2_1 | 
      
         | 
    2.0 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1351 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-114134_4_1 | 
      
         | 
    2.1 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN194 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-SUS-a69c159d-5_2 | 
      
         | 
    2.1 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1337 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-180172_2_2 | 
      
         | 
    2.1 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN190 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-SUS-a69c159d-2_2 | 
      
         | 
    2.1 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1415 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-246248_4_1 | 
      
         | 
    2.1 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1563 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-83353_2_1 | 
      
         | 
    2.1 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN977 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-268198_2_1 | 
      
         | 
    2.1 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN224 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    BEN-BAS-5c03e89e-1_3 | 
      
         | 
    2.2 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN87 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-UNI-f51e3bbc-3_1 | 
      
         | 
    2.2 ± 0.1 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN195 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAK-UNK-8be7dca9-2_2 | 
      
         | 
    2.2 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN889 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1726277_2_2 | 
      
         | 
    2.2 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN203 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    ADA-UCB-dc2b944c-14_1 | 
      
         | 
    2.2 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1417 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-262604_2_1 | 
      
         | 
    2.2 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN379 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-02067_2_2 | 
      
         | 
    2.2 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN146 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    ALP-POS-696356e4-1_2 | 
      
         | 
    2.2 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN567 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-155764_2_1 | 
      
         | 
    2.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN202 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-8a69d52e-5_1 | 
      
         | 
    2.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1593 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-260658_1_1 | 
      
         | 
    2.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN74 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    ALP-UNI-4b8a177c-1_1 | 
      
         | 
    2.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1624 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-126104_2_1 | 
      
         | 
    2.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1600 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-11714_2_1 | 
      
         | 
    2.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN137 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-f7918075-1_2 | 
      
         | 
    2.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN199 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    JOH-SUS-a69c159d-1_2 | 
      
         | 
    2.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN326 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-31845_2_2 | 
      
         | 
    2.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN193 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    BEN-DND-c852c98b-6_2 | 
      
         | 
    2.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN138 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-11b63608-1_2 | 
      
         | 
    2.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1067 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7355477_2_5 | 
      
         | 
    2.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN213 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    BEN-DND-c852c98b-2_2 | 
      
         | 
    2.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN533 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-53433_2_1 | 
      
         | 
    2.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN201 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-8a69d52e-4_4 | 
      
         | 
    2.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN526 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-31994_1_2 | 
      
         | 
    2.5 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN181 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    MAT-POS-8a69d52e-2_1 | 
      
         | 
    2.5 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1123 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-154179_2_1 | 
      
         | 
    2.5 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN701 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-818709_1_1 | 
      
         | 
    2.5 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN985 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-305282_2_2 | 
      
         | 
    2.6 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1121 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-41828_2_1 | 
      
         | 
    2.6 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1730 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-261410_2_1 | 
      
         | 
    2.6 ± 0.7 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||