RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1741 | MAT-POS-b3e365b9-1_1 |
|
EN300-48886_2_2 |
|
−0.8 ± 0.4 |
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RUN847 | MAT-POS-b3e365b9-1_1 |
|
EN300-189563_4_1 |
|
−0.8 ± 0.3 |
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RUN1492 | MAT-POS-b3e365b9-1_1 |
|
EN300-7003350_3_1 |
|
−0.8 ± 0.3 |
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||||
RUN603 | MAT-POS-b3e365b9-1_1 |
|
EN300-2977549_4_1 |
|
−0.8 ± 0.3 |
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||||
RUN1525 | MAT-POS-b3e365b9-1_1 |
|
EN300-10397_1_1 |
|
−0.8 ± 0.2 |
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||||
RUN1773 | MAT-POS-b3e365b9-1_1 |
|
EN300-204936_2_1 |
|
−0.8 ± 0.3 |
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||||
RUN994 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_1_6 |
|
−0.8 ± 0.3 |
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||||
RUN1258 | MAT-POS-b3e365b9-1_1 |
|
EN300-134855_3_1 |
|
−0.8 ± 0.5 |
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||||
RUN1695 | MAT-POS-b3e365b9-1_1 |
|
EN300-23226_1_1 |
|
−0.8 ± 0.4 |
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||||
RUN618 | MAT-POS-b3e365b9-1_1 |
|
EN300-46832_2_2 |
|
−0.7 ± 0.3 |
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||||
RUN1104 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_1_3 |
|
−0.7 ± 0.3 |
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||||
RUN1760 | MAT-POS-b3e365b9-1_1 |
|
EN300-110012_2_1 |
|
−0.7 ± 0.7 |
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||||
RUN660 | MAT-POS-b3e365b9-1_1 |
|
EN300-68794_1_1 |
|
−0.7 ± 0.3 |
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||||
RUN1665 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425677_3_2 |
|
−0.7 ± 0.4 |
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||||
RUN1046 | MAT-POS-b3e365b9-1_1 |
|
EN300-6501360_2_1 |
|
−0.7 ± 0.5 |
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||||
RUN1267 | MAT-POS-b3e365b9-1_1 |
|
EN300-741822_2_2 |
|
−0.7 ± 0.4 |
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||||
RUN1526 | MAT-POS-b3e365b9-1_1 |
|
EN300-364679_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN1573 | MAT-POS-b3e365b9-1_1 |
|
EN300-52467_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN540 | MAT-POS-b3e365b9-1_1 |
|
EN300-1241327_1_1 |
|
−0.7 ± 0.2 |
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||||
RUN436 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_4_1 |
|
−0.7 ± 0.3 |
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||||
RUN210 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-3_2 |
|
−0.7 ± 0.2 |
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||||
RUN1348 | MAT-POS-b3e365b9-1_1 |
|
EN300-23318_3_3 |
|
−0.7 ± 0.5 |
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||||
RUN1490 | MAT-POS-b3e365b9-1_1 |
|
EN300-210553_1_1 |
|
−0.7 ± 0.5 |
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||||
RUN1713 | MAT-POS-b3e365b9-1_1 |
|
EN300-181492_3_2 |
|
−0.7 ± 0.3 |
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||||
RUN507 | MAT-POS-b3e365b9-1_1 |
|
EN300-1968342_2_2 |
|
−0.7 ± 0.3 |
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||||
RUN1062 | MAT-POS-b3e365b9-1_1 |
|
EN300-2977549_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN564 | MAT-POS-b3e365b9-1_1 |
|
EN300-216673_1_1 |
|
−0.7 ± 0.3 |
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||||
RUN1780 | MAT-POS-b3e365b9-1_1 |
|
EN300-19242_1_1 |
|
−0.7 ± 0.3 |
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||||
RUN1261 | MAT-POS-b3e365b9-1_1 |
|
EN300-72730_1_2 |
|
−0.7 ± 0.2 |
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||||
RUN604 | MAT-POS-b3e365b9-1_1 |
|
EN300-25572_1_2 |
|
−0.7 ± 0.2 |
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||||
RUN626 | MAT-POS-b3e365b9-1_1 |
|
EN300-67573_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN356 | MAT-POS-b3e365b9-1_1 |
|
EN300-120282_4_1 |
|
−0.7 ± 0.3 |
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||||
RUN559 | MAT-POS-b3e365b9-1_1 |
|
EN300-154332_2_2 |
|
−0.7 ± 0.3 |
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||||
RUN1686 | MAT-POS-b3e365b9-1_1 |
|
EN300-98648_4_2 |
|
−0.7 ± 0.3 |
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||||
RUN753 | MAT-POS-b3e365b9-1_1 |
|
EN300-861925_4_1 |
|
−0.7 ± 0.5 |
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||||
RUN1406 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_2_1 |
|
−0.7 ± 0.2 |
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||||
RUN663 | MAT-POS-b3e365b9-1_1 |
|
EN300-6472847_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN1562 | MAT-POS-b3e365b9-1_1 |
|
EN300-63872_3_1 |
|
−0.7 ± 0.3 |
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||||
RUN476 | MAT-POS-b3e365b9-1_1 |
|
EN300-203293_4_1 |
|
−0.7 ± 0.5 |
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||||
RUN1379 | MAT-POS-b3e365b9-1_1 |
|
EN300-117059_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN1410 | MAT-POS-b3e365b9-1_1 |
|
EN300-96886_1_1 |
|
−0.7 ± 0.3 |
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||||
RUN594 | MAT-POS-b3e365b9-1_1 |
|
EN300-01527_2_2 |
|
−0.7 ± 0.3 |
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||||
RUN1607 | MAT-POS-b3e365b9-1_1 |
|
EN300-761618_1_1 |
|
−0.7 ± 0.2 |
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||||
RUN1237 | MAT-POS-b3e365b9-1_1 |
|
EN300-19507_1_1 |
|
−0.7 ± 0.2 |
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||||
RUN1772 | MAT-POS-b3e365b9-1_1 |
|
EN300-52768_1_2 |
|
−0.7 ± 0.5 |
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||||
RUN1107 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008120_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN1160 | MAT-POS-b3e365b9-1_1 |
|
EN300-378316_1_1 |
|
−0.7 ± 0.3 |
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||||
RUN646 | MAT-POS-b3e365b9-1_1 |
|
EN300-114133_3_2 |
|
−0.7 ± 0.5 |
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||||
RUN719 | MAT-POS-b3e365b9-1_1 |
|
EN300-263153_3_1 |
|
−0.7 ± 0.3 |
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||||
RUN817 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_1_2 |
|
−0.7 ± 0.2 |
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||||
RUN825 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_1_2 |
|
−0.7 ± 0.2 |
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||||
RUN367 | MAT-POS-b3e365b9-1_1 |
|
EN300-172481_1_2 |
|
−0.7 ± 0.4 |
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||||
RUN956 | MAT-POS-b3e365b9-1_1 |
|
EN300-05754_3_1 |
|
−0.7 ± 0.4 |
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||||
RUN1139 | MAT-POS-b3e365b9-1_1 |
|
EN300-6493060_2_1 |
|
−0.7 ± 0.2 |
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||||
RUN1191 | MAT-POS-b3e365b9-1_1 |
|
EN300-1241327_4_1 |
|
−0.7 ± 0.3 |
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||||
RUN783 | MAT-POS-b3e365b9-1_1 |
|
EN300-21258_2_1 |
|
−0.7 ± 0.2 |
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||||
RUN96 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-3_1 |
|
−0.7 ± 0.2 |
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||||
RUN563 | MAT-POS-b3e365b9-1_1 |
|
EN300-21258_4_1 |
|
−0.7 ± 0.3 |
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||||
RUN1083 | MAT-POS-b3e365b9-1_1 |
|
EN300-7375395_2_1 |
|
−0.7 ± 0.3 |
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||||
RUN1437 | MAT-POS-b3e365b9-1_1 |
|
EN300-185398_1_1 |
|
−0.7 ± 0.2 |
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||||
RUN934 | MAT-POS-b3e365b9-1_1 |
|
EN300-1915260_2_1 |
|
−0.6 ± 0.4 |
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||||
RUN1748 | MAT-POS-b3e365b9-1_1 |
|
EN300-316216_1_1 |
|
−0.6 ± 0.4 |
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||||
RUN1550 | MAT-POS-b3e365b9-1_1 |
|
EN300-1715993_2_1 |
|
−0.6 ± 0.3 |
![]() |
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||||
RUN1022 | MAT-POS-b3e365b9-1_1 |
|
EN300-1706036_2_1 |
|
−0.6 ± 0.4 |
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||||
RUN1761 | MAT-POS-b3e365b9-1_1 |
|
EN300-202757_3_2 |
|
−0.6 ± 0.5 |
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||||
RUN781 | MAT-POS-b3e365b9-1_1 |
|
EN300-633533_3_1 |
|
−0.6 ± 0.5 |
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||||
RUN263 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-15_1 |
|
−0.6 ± 0.2 |
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||||
RUN523 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_4_1 |
|
−0.6 ± 0.3 |
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||||
RUN1054 | MAT-POS-b3e365b9-1_1 |
|
EN300-185378_2_1 |
|
−0.6 ± 0.3 |
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||||
RUN1446 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253122_2_1 |
|
−0.6 ± 0.3 |
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||||
RUN463 | MAT-POS-b3e365b9-1_1 |
|
EN300-1608992_1_1 |
|
−0.6 ± 0.2 |
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||||
RUN752 | MAT-POS-b3e365b9-1_1 |
|
EN300-22879_2_1 |
|
−0.6 ± 0.3 |
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||||
RUN351 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425608_1_4 |
|
−0.6 ± 0.4 |
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![]() |
||||
RUN33 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-4_1 |
|
−0.61 ± 0.05 |
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||||
RUN957 | MAT-POS-b3e365b9-1_1 |
|
EN300-1296824_1_1 |
|
−0.6 ± 0.4 |
![]() |
![]() |
||||
RUN25 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-1_1 |
|
−0.61 ± 0.04 |
![]() |
![]() |
||||
RUN858 | MAT-POS-b3e365b9-1_1 |
|
EN300-332601_3_1 |
|
−0.6 ± 0.3 |
![]() |
![]() |
||||
RUN831 | MAT-POS-b3e365b9-1_1 |
|
EN300-221518_2_1 |
|
−0.6 ± 0.2 |
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![]() |
||||
RUN1232 | MAT-POS-b3e365b9-1_1 |
|
EN300-37195_1_2 |
|
−0.6 ± 0.2 |
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![]() |
||||
RUN729 | MAT-POS-b3e365b9-1_1 |
|
EN300-48902_2_2 |
|
−0.6 ± 0.4 |
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![]() |
||||
RUN411 | MAT-POS-b3e365b9-1_1 |
|
EN300-1241327_2_1 |
|
−0.6 ± 0.4 |
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||||
RUN989 | MAT-POS-b3e365b9-1_1 |
|
EN300-268198_1_1 |
|
−0.6 ± 0.2 |
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![]() |
||||
RUN1020 | MAT-POS-b3e365b9-1_1 |
|
EN300-01527_3_1 |
|
−0.6 ± 0.4 |
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![]() |
||||
RUN1429 | MAT-POS-b3e365b9-1_1 |
|
EN300-97758_1_1 |
|
−0.6 ± 0.2 |
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![]() |
||||
RUN364 | MAT-POS-b3e365b9-1_1 |
|
EN300-211482_4_2 |
|
−0.6 ± 0.3 |
![]() |
![]() |
||||
RUN1557 | MAT-POS-b3e365b9-1_1 |
|
EN300-222145_1_1 |
|
−0.6 ± 0.2 |
![]() |
![]() |
||||
RUN1606 | MAT-POS-b3e365b9-1_1 |
|
EN300-222969_4_2 |
|
−0.6 ± 0.5 |
![]() |
![]() |
||||
RUN55 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-29afea89-2_1 |
|
−0.6 ± 0.1 |
![]() |
![]() |
||||
RUN1612 | MAT-POS-b3e365b9-1_1 |
|
EN300-52768_1_1 |
|
−0.6 ± 0.5 |
![]() |
![]() |
||||
RUN1641 | MAT-POS-b3e365b9-1_1 |
|
EN300-248786_3_1 |
|
−0.6 ± 0.4 |
![]() |
![]() |
||||
RUN1058 | MAT-POS-b3e365b9-1_1 |
|
EN300-259062_1_2 |
|
−0.6 ± 0.3 |
![]() |
![]() |
||||
RUN1668 | MAT-POS-b3e365b9-1_1 |
|
EN300-7089802_1_1 |
|
−0.6 ± 0.3 |
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![]() |
||||
RUN1605 | MAT-POS-b3e365b9-1_1 |
|
EN300-1988306_2_1 |
|
−0.6 ± 0.3 |
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![]() |
||||
RUN495 | MAT-POS-b3e365b9-1_1 |
|
EN300-6497863_3_1 |
|
−0.6 ± 0.7 |
![]() |
![]() |
||||
RUN772 | MAT-POS-b3e365b9-1_1 |
|
EN300-19709_2_1 |
|
−0.6 ± 0.3 |
![]() |
![]() |
||||
RUN315 | MAT-POS-b3e365b9-1_1 |
|
EN300-17184_2_1 |
|
−0.6 ± 0.2 |
![]() |
![]() |
||||
RUN962 | MAT-POS-b3e365b9-1_1 |
|
EN300-41473_3_2 |
|
−0.5 ± 0.4 |
![]() |
![]() |
||||
RUN1759 | MAT-POS-b3e365b9-1_1 |
|
EN300-22880_1_1 |
|
−0.5 ± 0.5 |
![]() |
![]() |
||||
RUN1208 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600517_1_2 |
|
−0.5 ± 0.3 |
![]() |
![]() |
||||
RUN1506 | MAT-POS-b3e365b9-1_1 |
|
EN300-305282_3_2 |
|
−0.5 ± 0.4 |
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