| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3050 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-91315_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5112 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-125143_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4557 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-87536_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4377 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-367383_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4905 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-116234_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3817 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-31562_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4834 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-817811_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7080 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-14437_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14838 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-261859_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5357 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-19762_1_1 | 
      
         | 
    −1.3 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14852 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-96159_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2163 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6736413_1_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1263 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1425608_1_3 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15017 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-149013_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2061 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-104029_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4330 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-60837_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1577 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6503811_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13536 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-783124_3_4 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN627 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-2924757_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2856 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-243828_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4966 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-359842_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15307 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1589101_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14754 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-196160_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5813 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-144970_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9552 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-69107_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15274 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-90142_3_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4549 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-90142_3_4 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3281 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1710153_1_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15378 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-51350_3_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2594 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-92031_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4405 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6735568_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN319 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-37195_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9128 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-95094_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6720 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-365017_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN995 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1715993_2_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2079 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-88656_1_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8083 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-99391_3_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN756 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-52467_2_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3922 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-246992_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4773 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-695831_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9501 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-259849_1_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7184 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6792206_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9688 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7385329_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13053 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7353672_2_4 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13222 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-42195_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2046 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1706036_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN78 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    DAR-DIA-0d514e7d-8_1 | 
      
         | 
    −1.31 ± 0.07 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11977 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7430501_4_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3273 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-37102_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2982 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-195590_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4769 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-148421_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1728 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-77092_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6288 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-115760_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4327 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-122656_2_2 | 
      
         | 
    −1.3 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1778 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1600517_2_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4938 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-188377_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11719 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-383891_1_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10483 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6478434_1_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8684 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-783124_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN268 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-861925_2_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9666 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-203118_1_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8657 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-14437_1_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5657 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1725529_1_1 | 
      
         | 
    −1.3 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3621 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-59478_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN452 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1911992_2_4 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9760 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-83280_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15133 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6482296_3_4 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9657 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-10747_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7191 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-13489_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8399 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-100765_1_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15059 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1654606_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5189 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-210553_1_2 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11267 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-77520_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6217 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6486793_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15359 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-269453_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2671 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7457160_2_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5105 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1273016_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12802 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-60330_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11691 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-11934_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2933 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-169955_3_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13796 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1605226_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1927 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-195756_3_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15505 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-246486_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1354 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-139167_2_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN521 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-248521_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6503 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-657211_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4789 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-135238_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1184 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1968342_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12921 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1644723_4_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12769 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-97300_4_3 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11196 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1452069_3_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4785 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-697519_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7204 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-201346_1_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8240 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-246992_1_2 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN76 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    MAT-POS-8a69d52e-4_2 | 
      
         | 
    −1.27 ± 0.06 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN244 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6494158_2_3 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15384 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-109827_1_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1360 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-195756_3_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4555 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-261210_2_1 | 
      
         | 
    −1.3 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7120 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-254121_1_1 | 
      
         | 
    −1.3 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||