| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3951 | MAT-POS-8a69d52e-7_1 |
|
EN300-6474220_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN10263 | MAT-POS-8a69d52e-7_1 |
|
EN300-121939_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6511 | MAT-POS-8a69d52e-7_1 |
|
EN300-7500524_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN6904 | MAT-POS-8a69d52e-7_1 |
|
EN300-360157_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN6393 | MAT-POS-8a69d52e-7_1 |
|
EN300-59386_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN980 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_2_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN5703 | MAT-POS-8a69d52e-7_1 |
|
EN300-90142_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3754 | MAT-POS-8a69d52e-7_1 |
|
EN300-1932013_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN13416 | MAT-POS-8a69d52e-7_1 |
|
EN300-1452069_3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1541 | MAT-POS-8a69d52e-7_1 |
|
EN300-246747_1_2 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2240 | MAT-POS-8a69d52e-7_1 |
|
EN300-47500_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN15416 | MAT-POS-8a69d52e-7_1 |
|
EN300-2011576_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN15393 | MAT-POS-8a69d52e-7_1 |
|
EN300-1662365_3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4534 | MAT-POS-8a69d52e-7_1 |
|
EN300-42154_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN13904 | MAT-POS-8a69d52e-7_1 |
|
EN300-1608240_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN15007 | MAT-POS-8a69d52e-7_1 |
|
EN300-7355519_3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN12644 | MAT-POS-8a69d52e-7_1 |
|
EN300-316171_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2070 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494158_3_3 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN5161 | MAT-POS-8a69d52e-7_1 |
|
EN300-196962_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN6815 | MAT-POS-8a69d52e-7_1 |
|
EN300-210089_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN9754 | MAT-POS-8a69d52e-7_1 |
|
EN300-39826_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1209 | MAT-POS-8a69d52e-7_1 |
|
EN300-123489_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1505 | MAT-POS-8a69d52e-7_1 |
|
EN300-246178_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN7847 | MAT-POS-8a69d52e-7_1 |
|
EN300-6743781_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1187 | MAT-POS-8a69d52e-7_1 |
|
EN300-370967_4_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN941 | MAT-POS-8a69d52e-7_1 |
|
EN300-6736413_4_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2051 | MAT-POS-8a69d52e-7_1 |
|
EN300-270710_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN15332 | MAT-POS-8a69d52e-7_1 |
|
EN300-1644723_3_7 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN3126 | MAT-POS-8a69d52e-7_1 |
|
EN300-127156_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN12848 | MAT-POS-8a69d52e-7_1 |
|
EN300-1609922_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN15022 | MAT-POS-8a69d52e-7_1 |
|
EN300-80245_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN13070 | MAT-POS-8a69d52e-7_1 |
|
EN300-29228_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7081 | MAT-POS-8a69d52e-7_1 |
|
EN300-79180_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6531 | MAT-POS-8a69d52e-7_1 |
|
EN300-1609922_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7543 | MAT-POS-8a69d52e-7_1 |
|
EN300-246423_3_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN5009 | MAT-POS-8a69d52e-7_1 |
|
EN300-321597_3_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1629 | MAT-POS-8a69d52e-7_1 |
|
EN300-18249_1_1 |
|
−1.1 ± 0.1 |
|
|
||||
| RUN834 | MAT-POS-8a69d52e-7_1 |
|
EN300-7457160_3_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3305 | MAT-POS-8a69d52e-7_1 |
|
EN300-1644703_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN7055 | MAT-POS-8a69d52e-7_1 |
|
EN300-07752_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3809 | MAT-POS-8a69d52e-7_1 |
|
EN300-741926_1_4 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN8472 | MAT-POS-8a69d52e-7_1 |
|
EN300-6494859_1_3 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1953 | MAT-POS-8a69d52e-7_1 |
|
EN300-195756_2_2 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN9504 | MAT-POS-8a69d52e-7_1 |
|
EN300-80241_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN11024 | MAT-POS-8a69d52e-7_1 |
|
EN300-25791_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3177 | MAT-POS-8a69d52e-7_1 |
|
EN300-303908_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1107 | MAT-POS-8a69d52e-7_1 |
|
EN300-20496_4_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1852 | MAT-POS-8a69d52e-7_1 |
|
EN300-246248_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN605 | MAT-POS-8a69d52e-7_1 |
|
EN300-107267_4_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN9771 | MAT-POS-8a69d52e-7_1 |
|
EN300-108022_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN5293 | MAT-POS-8a69d52e-7_1 |
|
EN300-1587691_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN6869 | MAT-POS-8a69d52e-7_1 |
|
EN300-1588617_2_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN4077 | MAT-POS-8a69d52e-7_1 |
|
EN300-118869_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2270 | MAT-POS-8a69d52e-7_1 |
|
EN300-120920_3_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4493 | MAT-POS-8a69d52e-7_1 |
|
EN300-6474220_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2941 | MAT-POS-8a69d52e-7_1 |
|
EN300-88656_3_2 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3357 | MAT-POS-8a69d52e-7_1 |
|
EN300-69312_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3137 | MAT-POS-8a69d52e-7_1 |
|
EN300-2007620_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2574 | MAT-POS-8a69d52e-7_1 |
|
EN300-306097_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN15418 | MAT-POS-8a69d52e-7_1 |
|
EN300-64297_3_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1138 | MAT-POS-8a69d52e-7_1 |
|
EN300-1448603_2_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1701 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1501 | MAT-POS-8a69d52e-7_1 |
|
EN300-37195_1_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN8866 | MAT-POS-8a69d52e-7_1 |
|
EN300-333468_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN12010 | MAT-POS-8a69d52e-7_1 |
|
EN300-140582_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN8511 | MAT-POS-8a69d52e-7_1 |
|
EN300-122656_3_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN497 | MAT-POS-8a69d52e-7_1 |
|
EN300-1212400_1_2 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN12272 | MAT-POS-8a69d52e-7_1 |
|
EN300-2010267_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6059 | MAT-POS-8a69d52e-7_1 |
|
EN300-79180_2_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN15182 | MAT-POS-8a69d52e-7_1 |
|
EN300-1704404_3_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN11194 | MAT-POS-8a69d52e-7_1 |
|
EN300-60033_3_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN15433 | MAT-POS-8a69d52e-7_1 |
|
EN300-185729_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7313 | MAT-POS-8a69d52e-7_1 |
|
EN300-128277_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3470 | MAT-POS-8a69d52e-7_1 |
|
EN300-66461_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN10683 | MAT-POS-8a69d52e-7_1 |
|
EN300-100765_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN11 | MAT-POS-8a69d52e-7_1 |
|
JOH-SUS-a69c159d-5_1 |
|
−1.03 ± 0.07 |
|
|
||||
| RUN10091 | MAT-POS-8a69d52e-7_1 |
|
EN300-7353672_1_2 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN937 | MAT-POS-8a69d52e-7_1 |
|
EN300-142412_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN9631 | MAT-POS-8a69d52e-7_1 |
|
EN300-304771_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN13005 | MAT-POS-8a69d52e-7_1 |
|
EN300-306144_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN15466 | MAT-POS-8a69d52e-7_1 |
|
EN300-159634_3_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1680 | MAT-POS-8a69d52e-7_1 |
|
EN300-270710_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2182 | MAT-POS-8a69d52e-7_1 |
|
EN300-1911992_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3165 | MAT-POS-8a69d52e-7_1 |
|
EN300-66290_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5445 | MAT-POS-8a69d52e-7_1 |
|
EN300-205616_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5973 | MAT-POS-8a69d52e-7_1 |
|
EN300-7413100_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN9330 | MAT-POS-8a69d52e-7_1 |
|
EN300-317272_2_2 |
|
−1.0 ± 0.4 |
|
|
||||