RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN1648 | MAT-POS-8a69d52e-7_1 | EN300-6255179_3_1 | −1.7 ± 0.2 | ||||||||
RUN1160 | MAT-POS-8a69d52e-7_1 | EN300-1968342_3_2 | −1.7 ± 0.3 | ||||||||
RUN1097 | MAT-POS-8a69d52e-7_1 | EN300-139268_1_1 | −1.7 ± 0.2 | ||||||||
RUN2709 | MAT-POS-8a69d52e-7_1 | EN300-139167_1_1 | −1.7 ± 0.2 | ||||||||
RUN9637 | MAT-POS-8a69d52e-7_1 | EN300-2910941_1_1 | −1.7 ± 0.2 | ||||||||
RUN8788 | MAT-POS-8a69d52e-7_1 | EN300-36158_3_2 | −1.7 ± 0.2 | ||||||||
RUN1935 | MAT-POS-8a69d52e-7_1 | EN300-246747_3_1 | −1.7 ± 0.2 | ||||||||
RUN9589 | MAT-POS-8a69d52e-7_1 | EN300-6479181_1_2 | −1.7 ± 0.2 | ||||||||
RUN8907 | MAT-POS-8a69d52e-7_1 | EN300-217416_2_1 | −1.7 ± 0.3 | ||||||||
RUN5170 | MAT-POS-8a69d52e-7_1 | EN300-205486_1_1 | −1.7 ± 0.3 | ||||||||
RUN14780 | MAT-POS-8a69d52e-7_1 | EN300-97758_3_1 | −1.7 ± 0.2 | ||||||||
RUN164 | MAT-POS-8a69d52e-7_1 | FRA-DIA-b66f7109-3_2 | −1.7 ± 0.2 | ||||||||
RUN6321 | MAT-POS-8a69d52e-7_1 | EN300-97300_1_3 | −1.7 ± 0.2 | ||||||||
RUN5362 | MAT-POS-8a69d52e-7_1 | EN300-109535_1_2 | −1.7 ± 0.2 | ||||||||
RUN4310 | MAT-POS-8a69d52e-7_1 | EN300-23792_1_1 | −1.7 ± 0.3 | ||||||||
RUN7932 | MAT-POS-8a69d52e-7_1 | EN300-1071940_1_2 | −1.7 ± 0.3 | ||||||||
RUN1880 | MAT-POS-8a69d52e-7_1 | EN300-5253939_1_1 | −1.7 ± 0.2 | ||||||||
RUN669 | MAT-POS-8a69d52e-7_1 | EN300-6736413_4_2 | −1.7 ± 0.2 | ||||||||
RUN8175 | MAT-POS-8a69d52e-7_1 | EN300-156995_3_1 | −1.7 ± 0.3 | ||||||||
RUN2048 | MAT-POS-8a69d52e-7_1 | EN300-120586_2_1 | −1.7 ± 0.2 | ||||||||
RUN2870 | MAT-POS-8a69d52e-7_1 | EN300-22245_1_1 | −1.7 ± 0.2 | ||||||||
RUN8757 | MAT-POS-8a69d52e-7_1 | EN300-26147_1_1 | −1.7 ± 0.2 | ||||||||
RUN8319 | MAT-POS-8a69d52e-7_1 | EN300-170463_3_1 | −1.7 ± 0.2 | ||||||||
RUN1656 | MAT-POS-8a69d52e-7_1 | EN300-6255179_3_1 | −1.7 ± 0.2 | ||||||||
RUN14722 | MAT-POS-8a69d52e-7_1 | EN300-19507_3_1 | −1.7 ± 0.2 | ||||||||
RUN9228 | MAT-POS-8a69d52e-7_1 | EN300-245265_3_1 | −1.7 ± 0.3 | ||||||||
RUN2064 | MAT-POS-8a69d52e-7_1 | EN300-77092_2_1 | −1.7 ± 0.2 | ||||||||
RUN2195 | MAT-POS-8a69d52e-7_1 | EN300-107267_1_2 | −1.7 ± 0.2 | ||||||||
RUN7808 | MAT-POS-8a69d52e-7_1 | EN300-118045_1_1 | −1.7 ± 0.3 | ||||||||
RUN6161 | MAT-POS-8a69d52e-7_1 | EN300-395654_1_1 | −1.7 ± 0.3 | ||||||||
RUN15048 | MAT-POS-8a69d52e-7_1 | EN300-10334_3_2 | −1.7 ± 0.3 | ||||||||
RUN2945 | MAT-POS-8a69d52e-7_1 | EN300-94945_3_1 | −1.7 ± 0.2 | ||||||||
RUN12354 | MAT-POS-8a69d52e-7_1 | EN300-7434114_1_1 | −1.7 ± 0.2 | ||||||||
RUN4382 | MAT-POS-8a69d52e-7_1 | EN300-188356_1_1 | −1.7 ± 0.2 | ||||||||
RUN15012 | MAT-POS-8a69d52e-7_1 | EN300-6482296_3_7 | −1.7 ± 0.3 | ||||||||
RUN1795 | MAT-POS-8a69d52e-7_1 | EN300-21258_4_1 | −1.7 ± 0.2 | ||||||||
RUN1407 | MAT-POS-8a69d52e-7_1 | EN300-153245_1_1 | −1.7 ± 0.3 | ||||||||
RUN1298 | MAT-POS-8a69d52e-7_1 | EN300-306316_2_1 | −1.7 ± 0.2 | ||||||||
RUN1392 | MAT-POS-8a69d52e-7_1 | EN300-246747_3_2 | −1.7 ± 0.2 | ||||||||
RUN11335 | MAT-POS-8a69d52e-7_1 | EN300-214849_1_1 | −1.7 ± 0.2 | ||||||||
RUN13434 | MAT-POS-8a69d52e-7_1 | EN300-254105_1_2 | −1.7 ± 0.3 | ||||||||
RUN1294 | MAT-POS-8a69d52e-7_1 | EN300-97746_2_2 | −1.7 ± 0.3 | ||||||||
RUN2697 | MAT-POS-8a69d52e-7_1 | EN300-139167_1_1 | −1.7 ± 0.2 | ||||||||
RUN1665 | MAT-POS-8a69d52e-7_1 | EN300-1664603_1_1 | −1.7 ± 0.2 | ||||||||
RUN14 | MAT-POS-8a69d52e-7_1 | DAR-DIA-23e5a6a0-3_1 | −1.7 ± 0.4 | ||||||||
RUN9269 | MAT-POS-8a69d52e-7_1 | EN300-222620_1_1 | −1.7 ± 0.2 | ||||||||
RUN1215 | MAT-POS-8a69d52e-7_1 | EN300-314088_1_1 | −1.7 ± 0.2 | ||||||||
RUN13598 | MAT-POS-8a69d52e-7_1 | EN300-120820_3_1 | −1.7 ± 0.2 | ||||||||
RUN10595 | MAT-POS-8a69d52e-7_1 | EN300-872798_3_1 | −1.7 ± 0.3 | ||||||||
RUN9137 | MAT-POS-8a69d52e-7_1 | EN300-172179_1_1 | −1.7 ± 0.2 | ||||||||
RUN14874 | MAT-POS-8a69d52e-7_1 | EN300-25702_3_1 | −1.7 ± 0.2 | ||||||||
RUN4862 | MAT-POS-8a69d52e-7_1 | EN300-6494859_1_4 | −1.7 ± 0.3 | ||||||||
RUN6337 | MAT-POS-8a69d52e-7_1 | EN300-182579_1_1 | −1.7 ± 0.2 | ||||||||
RUN2150 | MAT-POS-8a69d52e-7_1 | EN300-370967_3_1 | −1.7 ± 0.3 | ||||||||
RUN2039 | MAT-POS-8a69d52e-7_1 | EN300-97300_1_2 | −1.7 ± 0.2 | ||||||||
RUN4954 | MAT-POS-8a69d52e-7_1 | EN300-5253939_1_2 | −1.7 ± 0.2 | ||||||||
RUN15000 | MAT-POS-8a69d52e-7_1 | EN300-97300_3_2 | −1.7 ± 0.2 | ||||||||
RUN3706 | MAT-POS-8a69d52e-7_1 | EN300-121144_1_1 | −1.7 ± 0.2 | ||||||||
RUN631 | MAT-POS-8a69d52e-7_1 | EN300-47606_1_1 | −1.7 ± 0.3 | ||||||||
RUN9089 | MAT-POS-8a69d52e-7_1 | EN300-101197_1_1 | −1.7 ± 0.2 | ||||||||
RUN1862 | MAT-POS-8a69d52e-7_1 | EN300-101197_3_1 | −1.7 ± 0.3 | ||||||||
RUN11451 | MAT-POS-8a69d52e-7_1 | EN300-345754_1_1 | −1.7 ± 0.3 | ||||||||
RUN15335 | MAT-POS-8a69d52e-7_1 | EN300-256798_1_2 | −1.7 ± 0.2 | ||||||||
RUN615 | MAT-POS-8a69d52e-7_1 | EN300-01527_1_2 | −1.7 ± 0.3 | ||||||||
RUN1576 | MAT-POS-8a69d52e-7_1 | EN300-6736413_3_1 | −1.7 ± 0.2 | ||||||||
RUN15327 | MAT-POS-8a69d52e-7_1 | EN300-1644723_3_8 | −1.7 ± 0.2 | ||||||||
RUN908 | MAT-POS-8a69d52e-7_1 | EN300-139167_2_2 | −1.7 ± 0.2 | ||||||||
RUN8464 | MAT-POS-8a69d52e-7_1 | EN300-14006_1_1 | −1.7 ± 0.3 | ||||||||
RUN15323 | MAT-POS-8a69d52e-7_1 | EN300-7385389_3_1 | −1.7 ± 0.3 | ||||||||
RUN8543 | MAT-POS-8a69d52e-7_1 | EN300-33513_3_1 | −1.7 ± 0.2 | ||||||||
RUN9361 | MAT-POS-8a69d52e-7_1 | EN300-1662365_1_1 | −1.7 ± 0.2 | ||||||||
RUN2889 | MAT-POS-8a69d52e-7_1 | EN300-332606_3_1 | −1.7 ± 0.2 | ||||||||
RUN1109 | MAT-POS-8a69d52e-7_1 | EN300-222357_1_1 | −1.7 ± 0.2 | ||||||||
RUN3033 | MAT-POS-8a69d52e-7_1 | EN300-1212400_1_1 | −1.7 ± 0.3 | ||||||||
RUN15397 | MAT-POS-8a69d52e-7_1 | EN300-269453_3_2 | −1.7 ± 0.3 | ||||||||
RUN7236 | MAT-POS-8a69d52e-7_1 | EN300-12440_1_1 | −1.7 ± 0.2 | ||||||||
RUN1397 | MAT-POS-8a69d52e-7_1 | EN300-01527_1_1 | −1.7 ± 0.3 | ||||||||
RUN3834 | MAT-POS-8a69d52e-7_1 | EN300-34636_1_1 | −1.7 ± 0.2 | ||||||||
RUN1006 | MAT-POS-8a69d52e-7_1 | EN300-1448603_1_2 | −1.7 ± 0.3 | ||||||||
RUN15338 | MAT-POS-8a69d52e-7_1 | EN300-201346_3_1 | −1.7 ± 0.2 | ||||||||
RUN867 | MAT-POS-8a69d52e-7_1 | EN300-250593_1_1 | −1.7 ± 0.3 | ||||||||
RUN6389 | MAT-POS-8a69d52e-7_1 | EN300-220676_1_2 | −1.7 ± 0.4 | ||||||||
RUN379 | MAT-POS-8a69d52e-7_1 | EN300-250593_1_2 | −1.7 ± 0.3 | ||||||||
RUN1839 | MAT-POS-8a69d52e-7_1 | EN300-73772_3_1 | −1.7 ± 0.2 | ||||||||
RUN15205 | MAT-POS-8a69d52e-7_1 | EN300-101505_3_1 | −1.7 ± 0.2 | ||||||||
RUN2724 | MAT-POS-8a69d52e-7_1 | EN300-52009_1_1 | −1.7 ± 0.2 | ||||||||
RUN4677 | MAT-POS-8a69d52e-7_1 | EN300-79180_3_2 | −1.7 ± 0.3 | ||||||||
RUN1682 | MAT-POS-8a69d52e-7_1 | EN300-6238494_2_1 | −1.7 ± 0.3 | ||||||||
RUN1033 | MAT-POS-8a69d52e-7_1 | EN300-21258_3_1 | −1.7 ± 0.2 | ||||||||
RUN8729 | MAT-POS-8a69d52e-7_1 | EN300-1704404_1_2 | −1.7 ± 0.2 | ||||||||
RUN9325 | MAT-POS-8a69d52e-7_1 | EN300-185751_1_1 | −1.7 ± 0.2 | ||||||||
RUN10142 | MAT-POS-8a69d52e-7_1 | EN300-140751_2_1 | −1.7 ± 0.3 | ||||||||
RUN5089 | MAT-POS-8a69d52e-7_1 | EN300-244403_3_1 | −1.6 ± 0.2 | ||||||||
RUN1797 | MAT-POS-8a69d52e-7_1 | EN300-73772_1_1 | −1.6 ± 0.2 | ||||||||
RUN1299 | MAT-POS-8a69d52e-7_1 | EN300-102347_4_1 | −1.6 ± 0.2 | ||||||||
RUN8260 | MAT-POS-8a69d52e-7_1 | EN300-128715_1_1 | −1.6 ± 0.2 | ||||||||
RUN1367 | MAT-POS-8a69d52e-7_1 | EN300-233951_1_2 | −1.6 ± 0.3 | ||||||||
RUN13464 | MAT-POS-8a69d52e-7_1 | EN300-44873_3_2 | −1.6 ± 0.6 | ||||||||
RUN8315 | MAT-POS-8a69d52e-7_1 | EN300-170463_3_1 | −1.6 ± 0.2 | ||||||||
RUN15357 | MAT-POS-8a69d52e-7_1 | EN300-145616_3_1 | −1.6 ± 0.3 |