| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3646 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-249764_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1723 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-113112_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7498 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-97055_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1937 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-153257_3_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8946 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-125409_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5340 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-301925_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4065 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-396748_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN972 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-214800_3_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11110 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1717443_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6639 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-27268_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7102 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-33398_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2820 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-178876_3_2 | 
      
         | 
    −1.9 ± 0.5 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9778 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-154201_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3817 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-30397_1_1 | 
      
         | 
    −1.9 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6315 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6487134_1_1 | 
      
         | 
    −1.9 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3414 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-254121_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3805 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-36690_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7750 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-134855_1_1 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5033 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-5253939_1_2 | 
      
         | 
    −1.9 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1484 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7003350_3_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8298 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1588613_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10268 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1387104_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1919 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-246248_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4195 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-65414_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1134 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1600517_2_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6830 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-33478_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8818 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-83529_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1044 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-246747_3_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN751 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1708882_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN134 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    DAR-DIA-5ff57136-2_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1084 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-195756_3_2 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8118 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7385329_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN975 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6736413_4_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9110 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-07268_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8182 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6494859_1_3 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1907 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-370967_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2001 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-863933_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN612 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7463171_1_1 | 
      
         | 
    −1.8 ± 0.6 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8318 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-66845_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8972 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-261056_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8966 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-35781_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4231 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-307084_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4635 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-129455_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9582 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-101373_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6503 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-253571_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN10612 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-222145_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2604 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-248526_1_2 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1090 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-128463_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7810 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-222620_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN781 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-633533_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN536 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-219330_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11107 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-68203_4_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2681 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-139167_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9109 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-2983332_2_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9644 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-156995_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8830 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1273172_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN322 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-33513_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2402 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-82179_2_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN329 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6482967_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN506 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-44873_1_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3893 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-188356_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN461 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1659582_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5782 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-181492_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN397 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-317555_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6042 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-5253939_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7453 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-249093_2_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1518 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-183231_2_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1244 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1448603_3_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2101 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7436306_2_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9074 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-221156_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4637 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-51244_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3857 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6482296_1_4 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1166 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-20496_2_2 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1173 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-156995_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3945 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-101443_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN703 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-248526_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2812 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-73967_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2316 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-248526_2_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN9810 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1091444_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4610 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-123489_2_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11066 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-657211_3_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7434 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-303519_1_1 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2675 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-139167_1_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN11151 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-185398_4_2 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN330 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-135060_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN6820 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-6729572_3_8 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN4791 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-253462_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN7346 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-305454_1_1 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3398 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1604607_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN1996 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-783124_1_4 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3953 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-18569_1_2 | 
      
         | 
    −1.8 ± 0.2 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN8897 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-00903_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN2490 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-77359_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN3695 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-174668_2_2 | 
      
         | 
    −1.8 ± 0.4 | 
      
         
      
     | 
    
      
         
      
     | 
  ||||
| RUN5488 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-1704404_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN6433 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-90206_1_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN8367 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-28262_2_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN2328 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-5638430_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN10699 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-7463161_4_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
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| RUN8488 | MAT-POS-b3e365b9-1_1 | 
      
         | 
    EN300-748981_3_1 | 
      
         | 
    −1.8 ± 0.3 | 
      
         
      
     | 
    
      
         
      
     | 
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