| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1752 | MAT-POS-8a69d52e-7_1 |
|
EN300-5638430_3_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN3143 | MAT-POS-8a69d52e-7_1 |
|
EN300-658865_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN8525 | MAT-POS-8a69d52e-7_1 |
|
EN300-6479181_2_3 |
|
0.3 ± 0.3 |
|
|
||||
| RUN1739 | MAT-POS-8a69d52e-7_1 |
|
EN300-7457159_4_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN5919 | MAT-POS-8a69d52e-7_1 |
|
EN300-1723663_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN9917 | MAT-POS-8a69d52e-7_1 |
|
EN300-6760278_2_7 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13452 | MAT-POS-8a69d52e-7_1 |
|
EN300-1071940_3_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN5740 | MAT-POS-8a69d52e-7_1 |
|
EN300-7562761_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN4025 | MAT-POS-8a69d52e-7_1 |
|
EN300-7427798_1_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN10758 | MAT-POS-8a69d52e-7_1 |
|
EN300-70489_2_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13877 | MAT-POS-8a69d52e-7_1 |
|
EN300-260696_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN368 | MAT-POS-8a69d52e-7_1 |
|
EN300-6746326_2_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN11175 | MAT-POS-8a69d52e-7_1 |
|
EN300-1644723_4_6 |
|
0.3 ± 0.2 |
|
|
||||
| RUN7631 | MAT-POS-8a69d52e-7_1 |
|
EN300-54837_3_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN5044 | MAT-POS-8a69d52e-7_1 |
|
EN300-07752_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN9 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-6a508060-8_1 |
|
0.3 ± 0.1 |
|
|
||||
| RUN9302 | MAT-POS-8a69d52e-7_1 |
|
EN300-188174_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN11552 | MAT-POS-8a69d52e-7_1 |
|
EN300-51350_4_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN12076 | MAT-POS-8a69d52e-7_1 |
|
EN300-393056_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN7017 | MAT-POS-8a69d52e-7_1 |
|
EN300-1662365_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN6635 | MAT-POS-8a69d52e-7_1 |
|
EN300-309521_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN7594 | MAT-POS-8a69d52e-7_1 |
|
EN300-1083988_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN12803 | MAT-POS-8a69d52e-7_1 |
|
EN300-378044_4_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN12758 | MAT-POS-8a69d52e-7_1 |
|
EN300-260405_1_4 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2021 | MAT-POS-8a69d52e-7_1 |
|
EN300-154201_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN14943 | MAT-POS-8a69d52e-7_1 |
|
EN300-821186_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN14332 | MAT-POS-8a69d52e-7_1 |
|
EN300-52167_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN87 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-11_1 |
|
0.28 ± 0.04 |
|
|
||||
| RUN7265 | MAT-POS-8a69d52e-7_1 |
|
EN300-1653482_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN5689 | MAT-POS-8a69d52e-7_1 |
|
EN300-50845_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13996 | MAT-POS-8a69d52e-7_1 |
|
EN300-95642_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN7297 | MAT-POS-8a69d52e-7_1 |
|
EN300-6745453_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN9498 | MAT-POS-8a69d52e-7_1 |
|
EN300-151330_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13884 | MAT-POS-8a69d52e-7_1 |
|
EN300-191187_1_3 |
|
0.3 ± 0.2 |
|
|
||||
| RUN11140 | MAT-POS-8a69d52e-7_1 |
|
EN300-6732769_1_2 |
|
0.3 ± 0.2 |
|
|
||||
| RUN3439 | MAT-POS-8a69d52e-7_1 |
|
EN300-151461_2_2 |
|
0.3 ± 0.2 |
|
|
||||
| RUN14428 | MAT-POS-8a69d52e-7_1 |
|
EN300-213215_1_7 |
|
0.3 ± 0.3 |
|
|
||||
| RUN9592 | MAT-POS-8a69d52e-7_1 |
|
EN300-210907_1_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN4863 | MAT-POS-8a69d52e-7_1 |
|
EN300-217107_2_3 |
|
0.3 ± 0.3 |
|
|
||||
| RUN15 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-23e5a6a0-5_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN11762 | MAT-POS-8a69d52e-7_1 |
|
EN300-185751_4_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN10245 | MAT-POS-8a69d52e-7_1 |
|
EN300-257315_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN870 | MAT-POS-8a69d52e-7_1 |
|
EN300-67191_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN10491 | MAT-POS-8a69d52e-7_1 |
|
EN300-187253_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN5471 | MAT-POS-8a69d52e-7_1 |
|
EN300-6478631_2_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN12750 | MAT-POS-8a69d52e-7_1 |
|
EN300-304263_1_3 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13668 | MAT-POS-8a69d52e-7_1 |
|
EN300-6732769_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN6925 | MAT-POS-8a69d52e-7_1 |
|
EN300-7431365_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN4767 | MAT-POS-8a69d52e-7_1 |
|
EN300-123614_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN1851 | MAT-POS-8a69d52e-7_1 |
|
EN300-205047_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2178 | MAT-POS-8a69d52e-7_1 |
|
EN300-50488_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN2388 | MAT-POS-8a69d52e-7_1 |
|
EN300-41375_2_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN12829 | MAT-POS-8a69d52e-7_1 |
|
EN300-135530_4_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN11368 | MAT-POS-8a69d52e-7_1 |
|
EN300-1452069_4_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2731 | MAT-POS-8a69d52e-7_1 |
|
EN300-378316_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN8887 | MAT-POS-8a69d52e-7_1 |
|
EN300-223741_4_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN8585 | MAT-POS-8a69d52e-7_1 |
|
EN300-7442191_2_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6437 | MAT-POS-8a69d52e-7_1 |
|
EN300-2011576_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN8985 | MAT-POS-8a69d52e-7_1 |
|
EN300-7442191_1_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13190 | MAT-POS-8a69d52e-7_1 |
|
EN300-10673_1_2 |
|
0.3 ± 0.5 |
|
|
||||
| RUN12772 | MAT-POS-8a69d52e-7_1 |
|
EN300-117059_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN4700 | MAT-POS-8a69d52e-7_1 |
|
EN300-6499164_2_3 |
|
0.3 ± 0.2 |
|
|
||||
| RUN13851 | MAT-POS-8a69d52e-7_1 |
|
EN300-6479181_4_3 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2258 | MAT-POS-8a69d52e-7_1 |
|
EN300-246423_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN1037 | MAT-POS-8a69d52e-7_1 |
|
EN300-51889_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN8335 | MAT-POS-8a69d52e-7_1 |
|
EN300-148321_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN6034 | MAT-POS-8a69d52e-7_1 |
|
EN300-1068231_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN7401 | MAT-POS-8a69d52e-7_1 |
|
EN300-13890_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN11495 | MAT-POS-8a69d52e-7_1 |
|
EN300-202232_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN1423 | MAT-POS-8a69d52e-7_1 |
|
EN300-1697735_1_2 |
|
0.3 ± 0.4 |
|
|
||||
| RUN7050 | MAT-POS-8a69d52e-7_1 |
|
EN300-16772_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN3337 | MAT-POS-8a69d52e-7_1 |
|
EN300-7499295_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN14827 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494361_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN1332 | MAT-POS-8a69d52e-7_1 |
|
EN300-06654_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN15043 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_3_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13843 | MAT-POS-8a69d52e-7_1 |
|
EN300-101443_4_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN10955 | MAT-POS-8a69d52e-7_1 |
|
EN300-1932780_4_2 |
|
0.3 ± 0.2 |
|
|
||||
| RUN13847 | MAT-POS-8a69d52e-7_1 |
|
EN300-85760_4_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN4937 | MAT-POS-8a69d52e-7_1 |
|
EN300-749499_3_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN7243 | MAT-POS-8a69d52e-7_1 |
|
EN300-75030_1_2 |
|
0.3 ± 0.2 |
|
|
||||
| RUN12100 | MAT-POS-8a69d52e-7_1 |
|
EN300-1698650_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN14674 | MAT-POS-8a69d52e-7_1 |
|
EN300-86732_3_1 |
|
0.3 ± 0.4 |
|
|
||||
| RUN6348 | MAT-POS-8a69d52e-7_1 |
|
EN300-6480951_1_3 |
|
0.3 ± 0.2 |
|
|
||||
| RUN704 | MAT-POS-8a69d52e-7_1 |
|
EN300-195743_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN2146 | MAT-POS-8a69d52e-7_1 |
|
EN300-399606_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN3729 | MAT-POS-8a69d52e-7_1 |
|
EN300-203306_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN4299 | MAT-POS-8a69d52e-7_1 |
|
EN300-311920_2_2 |
|
0.3 ± 0.2 |
|
|
||||
| RUN12118 | MAT-POS-8a69d52e-7_1 |
|
EN300-39439_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN8978 | MAT-POS-8a69d52e-7_1 |
|
EN300-1704723_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN4523 | MAT-POS-8a69d52e-7_1 |
|
EN300-68203_2_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN7307 | MAT-POS-8a69d52e-7_1 |
|
EN300-58259_1_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN5863 | MAT-POS-8a69d52e-7_1 |
|
EN300-300519_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN6179 | MAT-POS-8a69d52e-7_1 |
|
EN300-6474341_2_2 |
|
0.3 ± 0.2 |
|
|
||||
| RUN6554 | MAT-POS-8a69d52e-7_1 |
|
EN300-20284_2_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13845 | MAT-POS-8a69d52e-7_1 |
|
EN300-260696_2_3 |
|
0.3 ± 0.3 |
|
|
||||
| RUN466 | MAT-POS-8a69d52e-7_1 |
|
EN300-01527_3_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13286 | MAT-POS-8a69d52e-7_1 |
|
EN300-104493_1_2 |
|
0.3 ± 0.3 |
|
|
||||
| RUN10752 | MAT-POS-8a69d52e-7_1 |
|
EN300-138676_2_1 |
|
0.3 ± 0.2 |
|
|
||||
| RUN935 | MAT-POS-8a69d52e-7_1 |
|
EN300-79588_1_1 |
|
0.3 ± 0.3 |
|
|
||||
| RUN13809 | MAT-POS-8a69d52e-7_1 |
|
EN300-107435_4_1 |
|
0.3 ± 0.3 |
|
|
||||