| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN4942 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1703015_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4685 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-783124_3_3 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3942 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-44873_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3353 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-69312_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5589 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6504498_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15204 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-51350_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN860 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1253178_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6313 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-97300_1_3 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1544 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-171766_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2445 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1911992_1_4 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1229 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-52467_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3046 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7441080_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2480 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-08063_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4838 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-817811_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5333 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1265946_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1496 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-79588_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5825 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-144970_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13378 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6745712_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10677 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-247468_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8992 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-85760_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1951 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-139167_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12652 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-318110_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1079 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-71405_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4217 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1932780_3_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4481 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-39278_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13842 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-640503_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8255 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1726277_3_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10365 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-60330_1_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN47 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    VLA-UCB-34f3ed0c-10_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN26 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    DAR-DIA-0d514e7d-6_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1647 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-378343_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4909 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-116234_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9541 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-219496_1_2 | 
      
         | 
    −1.4 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9084 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-188356_3_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN12156 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-122579_1_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3730 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1644723_1_6 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15302 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-366687_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7945 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-341337_2_3 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8773 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-321703_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1401 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-77778_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN64 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    PET-UNK-29afea89-1_1 | 
      
         | 
    −1.41 ± 0.09 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2973 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-332002_3_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN815 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-05512_1_1 | 
      
         | 
    −1.4 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15284 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-42270_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15398 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1653482_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1993 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-21258_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4210 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-101796_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1057 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-128277_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6141 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-107048_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10003 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7493255_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN359 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7457159_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8637 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7355519_1_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6170 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-98099_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2842 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6762327_1_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11548 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-316216_4_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN14718 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-154944_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9907 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-363154_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2540 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-227055_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2198 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1448603_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2786 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1387104_3_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4598 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-35843_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1950 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-269627_1_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9774 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-233951_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11410 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-183001_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2596 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-120920_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10733 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-70489_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13622 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-123489_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5717 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-212795_1_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7723 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1608992_1_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3854 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-169955_1_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN823 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6504697_1_2 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9966 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-97938_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3569 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1700143_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11502 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-44873_4_2 | 
      
         | 
    −1.4 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13168 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-104493_1_1 | 
      
         | 
    −1.4 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6142 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1718836_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9097 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-250120_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11783 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-107892_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN868 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1253178_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4218 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-311920_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9802 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-55498_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2072 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-317082_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6317 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-97300_1_3 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3017 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-248521_1_4 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1345 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-151461_1_2 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15060 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1654606_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN15337 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-201346_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3094 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-1696043_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN13390 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-186943_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5101 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-222145_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2513 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-6736413_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8988 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-72211_3_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9847 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-21813_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6568 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-208959_1_3 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9985 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-141254_1_1 | 
      
         | 
    −1.4 ± 0.3 | 
      
         
      
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| RUN6544 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-7431365_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
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| RUN3278 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-97300_1_4 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN12244 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-227044_1_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN15157 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-06654_3_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN2040 | MAT-POS-8a69d52e-7_1 | 
      
         | 
    EN300-10895_2_1 | 
      
         | 
    −1.4 ± 0.2 | 
      
         
      
     | 
    
      
         
      
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