| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3721 | MAT-POS-8a69d52e-7_1 |
|
EN300-222120_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN14458 | MAT-POS-8a69d52e-7_1 |
|
EN300-45049_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN13692 | MAT-POS-8a69d52e-7_1 |
|
EN300-259849_3_2 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN15424 | MAT-POS-8a69d52e-7_1 |
|
EN300-80230_3_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN7764 | MAT-POS-8a69d52e-7_1 |
|
EN300-210084_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN14709 | MAT-POS-8a69d52e-7_1 |
|
EN300-90293_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN84 | MAT-POS-8a69d52e-7_1 |
|
MAT-POS-f7918075-1_1 |
|
−0.38 ± 0.06 |
|
|
||||
| RUN15381 | MAT-POS-8a69d52e-7_1 |
|
EN300-7430501_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN86 | MAT-POS-8a69d52e-7_1 |
|
MAT-POS-f7918075-1_1 |
|
−0.38 ± 0.06 |
|
|
||||
| RUN2871 | MAT-POS-8a69d52e-7_1 |
|
EN300-783124_2_3 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5820 | MAT-POS-8a69d52e-7_1 |
|
EN300-110245_2_1 |
|
−0.4 ± 0.6 |
|
|
||||
| RUN9350 | MAT-POS-8a69d52e-7_1 |
|
EN300-98099_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1907 | MAT-POS-8a69d52e-7_1 |
|
EN300-97758_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5991 | MAT-POS-8a69d52e-7_1 |
|
EN300-15368_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN10689 | MAT-POS-8a69d52e-7_1 |
|
EN300-100768_1_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN12185 | MAT-POS-8a69d52e-7_1 |
|
EN300-7456948_4_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN14630 | MAT-POS-8a69d52e-7_1 |
|
EN300-62449_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN11966 | MAT-POS-8a69d52e-7_1 |
|
EN300-731622_3_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN11857 | MAT-POS-8a69d52e-7_1 |
|
EN300-7473032_1_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5252 | MAT-POS-8a69d52e-7_1 |
|
EN300-256174_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN9103 | MAT-POS-8a69d52e-7_1 |
|
EN300-1267093_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7332 | MAT-POS-8a69d52e-7_1 |
|
EN300-7432415_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN11815 | MAT-POS-8a69d52e-7_1 |
|
EN300-1657635_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5341 | MAT-POS-8a69d52e-7_1 |
|
EN300-134536_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN3551 | MAT-POS-8a69d52e-7_1 |
|
EN300-315792_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN188 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-23e5a6a0-7_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN15246 | MAT-POS-8a69d52e-7_1 |
|
EN300-62808_3_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN1460 | MAT-POS-8a69d52e-7_1 |
|
EN300-1073320_2_2 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN11625 | MAT-POS-8a69d52e-7_1 |
|
EN300-69993_1_2 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN4389 | MAT-POS-8a69d52e-7_1 |
|
EN300-6737762_3_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN10143 | MAT-POS-8a69d52e-7_1 |
|
EN300-59733_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN14414 | MAT-POS-8a69d52e-7_1 |
|
EN300-187385_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5217 | MAT-POS-8a69d52e-7_1 |
|
EN300-6732376_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4313 | MAT-POS-8a69d52e-7_1 |
|
EN300-93491_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN9092 | MAT-POS-8a69d52e-7_1 |
|
EN300-364612_1_3 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN44 | MAT-POS-8a69d52e-7_1 |
|
ALP-POS-d3acb8cc-1_1 |
|
−0.37 ± 0.07 |
|
|
||||
| RUN4955 | MAT-POS-8a69d52e-7_1 |
|
EN300-4698402_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN8545 | MAT-POS-8a69d52e-7_1 |
|
EN300-35843_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN9237 | MAT-POS-8a69d52e-7_1 |
|
EN300-7445540_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1842 | MAT-POS-8a69d52e-7_1 |
|
EN300-6735421_4_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN224 | MAT-POS-8a69d52e-7_1 |
|
DAR-DIA-0d514e7d-12_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN15101 | MAT-POS-8a69d52e-7_1 |
|
EN300-11441_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1711 | MAT-POS-8a69d52e-7_1 |
|
EN300-129424_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN4225 | MAT-POS-8a69d52e-7_1 |
|
EN300-251752_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2368 | MAT-POS-8a69d52e-7_1 |
|
EN300-11300_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN829 | MAT-POS-8a69d52e-7_1 |
|
EN300-1696962_4_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN9530 | MAT-POS-8a69d52e-7_1 |
|
EN300-306105_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1540 | MAT-POS-8a69d52e-7_1 |
|
EN300-188356_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN15086 | MAT-POS-8a69d52e-7_1 |
|
EN300-28262_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN14234 | MAT-POS-8a69d52e-7_1 |
|
EN300-52645_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN9060 | MAT-POS-8a69d52e-7_1 |
|
EN300-1215738_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN13674 | MAT-POS-8a69d52e-7_1 |
|
EN300-1723511_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1956 | MAT-POS-8a69d52e-7_1 |
|
EN300-195756_1_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN865 | MAT-POS-8a69d52e-7_1 |
|
EN300-54541_3_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN11944 | MAT-POS-8a69d52e-7_1 |
|
EN300-74167_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4833 | MAT-POS-8a69d52e-7_1 |
|
EN300-1251424_3_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5185 | MAT-POS-8a69d52e-7_1 |
|
EN300-157158_1_2 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN709 | MAT-POS-8a69d52e-7_1 |
|
EN300-221518_4_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN6269 | MAT-POS-8a69d52e-7_1 |
|
EN300-249804_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN9125 | MAT-POS-8a69d52e-7_1 |
|
EN300-36845_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN14567 | MAT-POS-8a69d52e-7_1 |
|
EN300-6745712_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5291 | MAT-POS-8a69d52e-7_1 |
|
EN300-6953121_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN13125 | MAT-POS-8a69d52e-7_1 |
|
EN300-81528_2_2 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN600 | MAT-POS-8a69d52e-7_1 |
|
EN300-6487630_2_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN5787 | MAT-POS-8a69d52e-7_1 |
|
EN300-1654606_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7693 | MAT-POS-8a69d52e-7_1 |
|
EN300-10334_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2254 | MAT-POS-8a69d52e-7_1 |
|
EN300-1241327_3_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN5063 | MAT-POS-8a69d52e-7_1 |
|
EN300-706065_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN11979 | MAT-POS-8a69d52e-7_1 |
|
EN300-59487_4_2 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN12542 | MAT-POS-8a69d52e-7_1 |
|
EN300-73620_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2166 | MAT-POS-8a69d52e-7_1 |
|
EN300-1448603_3_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN250 | MAT-POS-8a69d52e-7_1 |
|
EN300-6735421_3_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1139 | MAT-POS-8a69d52e-7_1 |
|
EN300-139167_4_2 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN10777 | MAT-POS-8a69d52e-7_1 |
|
EN300-239825_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN12771 | MAT-POS-8a69d52e-7_1 |
|
EN300-97300_4_3 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN13058 | MAT-POS-8a69d52e-7_1 |
|
EN300-183736_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN12246 | MAT-POS-8a69d52e-7_1 |
|
EN300-122866_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN331 | MAT-POS-8a69d52e-7_1 |
|
EN300-3451857_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN13634 | MAT-POS-8a69d52e-7_1 |
|
EN300-219496_3_2 |
|
−0.3 ± 0.7 |
|
|
||||
| RUN9753 | MAT-POS-8a69d52e-7_1 |
|
EN300-122849_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN11244 | MAT-POS-8a69d52e-7_1 |
|
EN300-1072972_3_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN11986 | MAT-POS-8a69d52e-7_1 |
|
EN300-33999_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2604 | MAT-POS-8a69d52e-7_1 |
|
EN300-42270_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN15444 | MAT-POS-8a69d52e-7_1 |
|
EN300-318305_3_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN13997 | MAT-POS-8a69d52e-7_1 |
|
EN300-221122_2_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN11981 | MAT-POS-8a69d52e-7_1 |
|
EN300-102871_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6591 | MAT-POS-8a69d52e-7_1 |
|
EN300-1696143_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2782 | MAT-POS-8a69d52e-7_1 |
|
EN300-383904_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN3446 | MAT-POS-8a69d52e-7_1 |
|
EN300-6760451_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN3485 | MAT-POS-8a69d52e-7_1 |
|
EN300-55087_1_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN13068 | MAT-POS-8a69d52e-7_1 |
|
EN300-10170_3_2 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN3313 | MAT-POS-8a69d52e-7_1 |
|
EN300-139846_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN14578 | MAT-POS-8a69d52e-7_1 |
|
EN300-19242_3_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN3779 | MAT-POS-8a69d52e-7_1 |
|
EN300-1704404_2_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN15049 | MAT-POS-8a69d52e-7_1 |
|
EN300-359842_3_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN8858 | MAT-POS-8a69d52e-7_1 |
|
EN300-7549839_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6663 | MAT-POS-8a69d52e-7_1 |
|
EN300-215607_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN12612 | MAT-POS-8a69d52e-7_1 |
|
EN300-305294_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN4926 | MAT-POS-8a69d52e-7_1 |
|
EN300-307190_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1411 | MAT-POS-8a69d52e-7_1 |
|
EN300-246248_4_2 |
|
−0.3 ± 0.3 |
|
|
||||