main_MD> Reading input file read_input> Process type: freezing Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns] read_input> Input for metadynamics has been read read_input> Metadynamics has not been chosen. read_input> Reading initial positions fromtoFreeze_21.xyz read_input> Finish reading initial positions read_input> Validating positions read_input> Initializing random number generator read_input> Checking program read_rgl> START READING FILE ../pot.pot read_rgl>> END READING FILE ../pot.pot READ_RGL>> atomic speciesAgAg imet1 4 imet2 4 READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999 read_rgl> PARAMETERS SELECTION FOR IMET1 :: Ag 4 ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999 p :: 10.850000000000000 q :: 3.1800000000000002 ATOMIC RADIUS :: 1.4450000999999999 choice_pot> values: frac = 0.12062503764379931 arete = 4.0870774781009569 choice_pot> mass is== 108.00000000000000 for elem1= read_input> ntipo1 = 21 ntipo2 = 0 read_input> Finish reading input main_MD> Allocating global variables main_MD> Number of outputs that will be created: 1350 main_MD> Size of nv and nvoiz: 21 2100 main_MD> Size of nv and nvoiz: 21 2100 main_MD> Number of time-steps (npas) = 50000 main_MD> Number of CVs (num_cv) = 1 main_MD> Max allowed number of atoms = 2900 main_MD> Max number of atoms = 21 main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance main_MD> collvar_wanted = F main_MD> INPUT AND POTENTIAL FILE READING IS DONE main_MD> THERMALIZATION IS STARTING init> 8.9398596802687566E-002 -1.3758618614332701E-002 -0.21067348499936381 initial drift of cluster / NP1 for coalescence init> 0.46085969017475281 0.41550061771340263 0.28662831339867456 scaling for velocity /for coalescence NP1 init.f90 > facguy = 3.3644831467576292E-003 preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084 preparo> END t=0 TIME STEP force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.69264 0.60999 -1.47835 force_rgl> df(natom) -0.62629 -2.79177 0.19405 preparo> THERMALIZATION PROCESS AT 986.77313067314481 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -42.991992169940175 3.1822006513802092 -46.174192821320382 5.7416306966010411E-004 preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE main_MD> Time-loop is starting for freezing main_MD> Now the computation of EXECUTION TIME starts main_MD> Running from loop 1 to 27 FREEZING PROCESS: loop number 1 T-loop= 957.00000000000000 main_MD> interactions number 1 at Temperature= 957.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.87759 -2.82106 3.31564 force_rgl> df(natom) 0.93409 0.25372 -0.11381 5.0000 -45.14345 -41.78983 3.35361 2.53723 -42.63746 1202.14130 10.0000 -47.04589 -44.06994 2.97595 2.56089 -42.45738 1274.20084 15.0000 -46.88787 -44.40331 2.48456 2.33467 -44.17924 1016.68079 20.0000 -47.12905 -43.90677 3.22229 2.30998 -44.36719 1010.61941 25.0000 -46.79207 -44.31013 2.48195 2.36167 -43.97378 1078.23390 30.0000 -46.73262 -43.91814 2.81448 2.31740 -44.31071 1028.52644 35.0000 -47.33960 -45.07453 2.26507 2.29852 -44.45442 996.43058 40.0000 -47.51909 -45.32954 2.18955 2.19919 -45.21052 908.50389 45.0000 -46.64048 -43.91536 2.72512 2.35446 -44.02863 1062.50524 50.0000 -46.56448 -43.56885 2.99563 2.37615 -43.86358 993.55967 55.0000 -46.99768 -44.12957 2.86810 2.42447 -43.49574 1168.38384 60.0000 -45.81844 -42.42263 3.39581 2.42137 -43.51934 1151.28082 65.0000 -46.62075 -44.23014 2.39061 2.49665 -42.94635 1125.98019 70.0000 -46.41180 -44.03651 2.37529 2.35096 -44.05532 1054.18065 75.0000 -46.03055 -43.19459 2.83597 2.42357 -43.50258 1061.55917 80.0000 -47.13998 -43.93084 3.20915 2.38731 -43.77861 1142.15570 85.0000 -47.92232 -44.86188 3.06044 2.32574 -44.24727 1091.44868 90.0000 -47.59915 -44.77405 2.82510 2.27718 -44.61689 973.60651 95.0000 -47.41858 -44.86979 2.54879 2.21505 -45.08976 914.14763 100.0000 -47.62726 -45.68497 1.94229 2.21227 -45.11093 884.00263 105.0000 -47.43037 -44.96349 2.46688 2.20004 -45.20404 897.71651 110.0000 -47.84966 -44.69485 3.15481 2.22399 -45.02173 960.70231 115.0000 -46.90977 -44.26088 2.64889 2.31574 -44.32335 1052.71486 120.0000 -47.94508 -45.77704 2.16804 2.26073 -44.74212 938.28420 125.0000 -47.59199 -45.22030 2.37169 2.20477 -45.16807 886.01169 130.0000 -47.57892 -44.58751 2.99140 2.18783 -45.29701 952.13887 135.0000 -47.84454 -44.26849 3.57606 2.30281 -44.42182 1036.56309 140.0000 -46.19164 -43.80909 2.38256 2.35946 -43.99061 1083.24817 145.0000 -46.54146 -43.85618 2.68528 2.37218 -43.89378 1079.87405 150.0000 -47.67487 -44.90387 2.77100 2.24918 -44.83000 971.66934 155.0000 -47.54665 -45.36256 2.18409 2.28358 -44.56814 981.90878 160.0000 -48.09142 -45.03909 3.05233 2.22719 -44.99737 894.29425 165.0000 -47.47733 -45.18759 2.28974 2.22363 -45.02448 838.31838 170.0000 -47.37916 -43.17625 4.20291 2.28396 -44.56530 968.35832 175.0000 -47.75084 -44.98843 2.76241 2.38801 -43.77324 1093.58004 180.0000 -48.09838 -45.61851 2.47987 2.18637 -45.30809 972.27968 185.0000 -48.23681 -45.56512 2.67168 2.16117 -45.49987 901.73644 190.0000 -47.52988 -45.19701 2.33287 2.14433 -45.62807 835.31524 195.0000 -47.39352 -44.28337 3.11016 2.24856 -44.83475 993.42791 200.0000 -47.00253 -44.12483 2.87770 2.26621 -44.70039 981.05375 205.0000 -48.22828 -46.05412 2.17416 2.22772 -44.99333 922.94605 210.0000 -47.54801 -45.10146 2.44655 2.13058 -45.73274 841.27199 215.0000 -47.44302 -44.87317 2.56985 2.29151 -44.50776 968.24734 220.0000 -47.72230 -43.95370 3.76860 2.31237 -44.34905 1032.54292 225.0000 -47.36058 -44.40630 2.95429 2.34243 -44.12025 1038.11497 230.0000 -48.77970 -46.16972 2.60998 2.19557 -45.23803 847.06979 235.0000 -48.06832 -45.90097 2.16735 2.12923 -45.74305 838.93182 240.0000 -47.25973 -45.16065 2.09908 2.13213 -45.72098 852.45292 245.0000 -47.85142 -45.22696 2.62446 2.18663 -45.30614 895.62929 250.0000 -47.08837 -44.02623 3.06214 2.27992 -44.59600 936.88744 FREEZING PROCESS: loop number 2 T-loop= 932.00000000000000 main_MD> interactions number 2 at Temperature= 932.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.06207 -1.02942 0.88230 force_rgl> df(natom) -2.18010 0.25227 -1.98365 255.0000 -47.59277 -44.54454 3.04823 2.34994 -44.06302 1021.53817 260.0000 -47.43528 -44.33647 3.09881 2.32595 -44.24567 1035.00224 265.0000 -47.80928 -45.31385 2.49543 2.23176 -44.96261 927.56374 270.0000 -47.54650 -45.52142 2.02508 2.20355 -45.17729 889.98303 275.0000 -46.99064 -45.11196 1.87868 2.18043 -45.35334 887.97639 280.0000 -46.32101 -43.87920 2.44181 2.32355 -44.26393 997.74148 285.0000 -47.03098 -44.30353 2.72745 2.36425 -43.95414 1061.99026 290.0000 -46.83009 -44.51916 2.31093 2.38000 -43.83426 1053.82632 295.0000 -46.63019 -43.87847 2.75172 2.43756 -43.39614 1080.79517 300.0000 -46.28916 -43.28010 3.00906 2.38928 -43.76362 1075.51029 305.0000 -46.67917 -43.93470 2.74447 2.36808 -43.92498 1071.40556 310.0000 -47.31659 -45.14348 2.17310 2.31883 -44.29983 1004.04271 315.0000 -48.14476 -45.91109 2.23367 2.10435 -45.93240 812.21420 320.0000 -47.37084 -45.17232 2.19852 2.11922 -45.81925 831.30376 325.0000 -47.27675 -44.60679 2.66996 2.31419 -44.33515 964.89807 330.0000 -48.68312 -45.62173 3.06139 2.12041 -45.81017 835.28412 335.0000 -47.65382 -44.66851 2.98530 2.16924 -45.43851 889.67730 340.0000 -46.87471 -44.87986 1.99485 2.21953 -45.05566 918.86589 345.0000 -47.68998 -45.35813 2.33185 2.20659 -45.15421 925.85997 350.0000 -47.87687 -45.87875 1.99812 2.17576 -45.38884 847.90056 355.0000 -47.87688 -45.08022 2.79666 2.13773 -45.67831 846.31598 360.0000 -46.88043 -44.35797 2.52247 2.29429 -44.48665 1024.33622 365.0000 -46.94007 -44.38059 2.55948 2.35557 -44.02023 1083.37059 370.0000 -45.77084 -43.32795 2.44289 2.30218 -44.42659 990.57128 375.0000 -47.44084 -45.13256 2.30828 2.33744 -44.15822 1039.55597 380.0000 -47.01154 -44.49923 2.51231 2.26712 -44.69344 963.87552 385.0000 -47.85122 -45.95583 1.89539 2.18445 -45.32268 812.48390 390.0000 -48.03479 -45.82572 2.20907 2.07422 -46.16171 769.98907 395.0000 -47.58080 -45.03988 2.54092 2.22702 -44.99866 950.89869 400.0000 -48.32803 -46.00511 2.32293 2.18188 -45.34229 894.09185 405.0000 -48.08355 -44.74014 3.34340 2.21161 -45.11601 896.24213 410.0000 -46.88901 -44.86018 2.02883 2.26581 -44.70343 962.42444 415.0000 -47.03936 -44.99580 2.04357 2.23239 -44.95778 937.33728 420.0000 -47.09633 -43.84122 3.25511 2.27040 -44.66846 982.04838 425.0000 -47.39122 -45.52605 1.86516 2.28587 -44.55069 977.78529 430.0000 -47.66902 -45.12627 2.54275 2.19743 -45.22393 887.62734 435.0000 -47.21009 -45.31443 1.89566 2.17946 -45.36071 894.66015 440.0000 -47.66144 -44.83521 2.82623 2.23922 -44.90584 952.54538 445.0000 -46.66286 -44.42485 2.23801 2.26360 -44.72027 947.46933 450.0000 -48.16818 -46.29231 1.87587 2.17220 -45.41597 871.80061 455.0000 -47.56556 -45.25662 2.30893 2.08089 -46.11093 812.04207 460.0000 -48.22567 -45.85585 2.36982 2.15032 -45.58249 874.19549 465.0000 -46.79686 -44.47159 2.32527 2.21350 -45.10156 862.52041 470.0000 -48.06284 -46.08818 1.97466 2.11965 -45.81591 795.50561 475.0000 -46.88220 -44.92832 1.95387 2.14888 -45.59344 755.92593 480.0000 -47.49033 -45.48640 2.00394 2.22480 -45.01559 912.76223 485.0000 -46.94591 -44.85220 2.09372 2.19460 -45.24545 859.30716 490.0000 -47.29640 -44.98008 2.31632 2.21374 -45.09979 909.00408 495.0000 -47.40495 -45.17610 2.22885 2.18497 -45.31874 875.73559 500.0000 -46.61910 -43.75366 2.86544 2.27803 -44.61044 964.86315 FREEZING PROCESS: loop number 3 T-loop= 907.00000000000000 main_MD> interactions number 3 at Temperature= 907.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.19022 -0.30142 4.12449 force_rgl> df(natom) -2.41831 1.34958 -2.64777 505.0000 -47.73873 -44.87637 2.86236 2.34987 -44.06357 1067.31440 510.0000 -47.72820 -44.07175 3.65645 2.31425 -44.33469 1024.84625 515.0000 -46.75280 -43.84541 2.90739 2.31852 -44.30221 975.96597 520.0000 -47.53168 -44.33851 3.19317 2.30917 -44.37341 1022.31570 525.0000 -47.81166 -45.68546 2.12620 2.26197 -44.73266 1040.27713 530.0000 -48.31529 -45.98836 2.32694 2.07058 -46.18947 799.64309 535.0000 -48.12360 -45.94340 2.18020 2.11067 -45.88430 793.90685 540.0000 -47.68679 -44.75217 2.93462 2.17639 -45.38403 857.78445 545.0000 -46.11100 -43.13428 2.97672 2.30572 -44.39961 1011.74381 550.0000 -47.22572 -43.58471 3.64101 2.42384 -43.50055 1061.51728 555.0000 -46.75636 -44.47027 2.28609 2.34737 -44.08264 1090.80229 560.0000 -46.01188 -43.87840 2.13348 2.33437 -44.18156 916.60516 565.0000 -46.29292 -44.33468 1.95824 2.29366 -44.49143 963.22747 570.0000 -47.19031 -43.94146 3.24885 2.39037 -43.75528 1098.63631 575.0000 -45.87783 -43.05771 2.82012 2.34026 -44.13670 1038.24999 580.0000 -46.01442 -44.34109 1.67333 2.38386 -43.80484 1001.67492 585.0000 -47.53820 -44.33938 3.19882 2.32277 -44.26984 1027.91109 590.0000 -46.65908 -43.79131 2.86777 2.34781 -44.07929 1074.33196 595.0000 -47.14511 -44.88543 2.25967 2.34868 -44.07261 1067.54158 600.0000 -47.66942 -45.12832 2.54110 2.19016 -45.27924 861.28431 605.0000 -47.60763 -44.43946 3.16818 2.20017 -45.20307 942.34225 610.0000 -47.55980 -44.60313 2.95667 2.27583 -44.62713 979.31336 615.0000 -48.32136 -45.60296 2.71839 2.22265 -45.03197 971.66070 620.0000 -47.65726 -45.10899 2.54826 2.12706 -45.75952 814.91303 625.0000 -48.54832 -45.86346 2.68486 2.21208 -45.11240 978.06412 630.0000 -47.79391 -45.86557 1.92834 2.08151 -46.10628 776.05875 635.0000 -47.19282 -44.84508 2.34774 2.17825 -45.36986 760.61997 640.0000 -47.04017 -45.20773 1.83245 2.24754 -44.84249 908.95730 645.0000 -47.58900 -45.42119 2.16782 2.18403 -45.32592 796.36705 650.0000 -48.66441 -45.46535 3.19905 2.21699 -45.07499 922.34968 655.0000 -47.73966 -45.31046 2.42920 2.17931 -45.36186 897.53652 660.0000 -47.87716 -45.28943 2.58772 2.17460 -45.39770 906.81291 665.0000 -48.01635 -45.49088 2.52547 2.14878 -45.59420 913.22333 670.0000 -47.83293 -46.01071 1.82222 2.15806 -45.52361 839.05369 675.0000 -48.09720 -45.06188 3.03532 2.19554 -45.23831 912.14553 680.0000 -48.16682 -45.87495 2.29187 2.16068 -45.50366 913.82889 685.0000 -47.70657 -44.82695 2.87962 2.16604 -45.46283 901.73669 690.0000 -48.65026 -45.45982 3.19045 2.19335 -45.25495 944.96132 695.0000 -47.40376 -44.36166 3.04210 2.28591 -44.55042 974.68323 700.0000 -47.05408 -45.49785 1.55623 2.32856 -44.22579 1025.54912 705.0000 -47.36675 -44.76190 2.60485 2.20532 -45.16388 870.62423 710.0000 -47.25386 -44.87046 2.38340 2.24959 -44.82687 916.59490 715.0000 -47.78565 -44.53890 3.24676 2.30822 -44.38057 1030.85370 720.0000 -46.67510 -43.83402 2.84109 2.32332 -44.26569 1000.68768 725.0000 -46.98007 -44.66179 2.31828 2.33207 -44.19910 1053.59341 730.0000 -46.56935 -43.15804 3.41131 2.39438 -43.72482 1142.65482 735.0000 -46.14020 -42.91168 3.22852 2.40168 -43.66919 1093.93571 740.0000 -47.02587 -44.36730 2.65857 2.49523 -42.95717 1174.43084 745.0000 -47.20036 -43.91720 3.28316 2.33257 -44.19530 1063.16303 750.0000 -47.36333 -44.90257 2.46075 2.31676 -44.31557 1022.32896 FREEZING PROCESS: loop number 4 T-loop= 882.00000000000000 main_MD> interactions number 4 at Temperature= 882.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 5.13228 -1.18975 -7.53764 force_rgl> df(natom) 3.64847 -2.96206 -2.62048 755.0000 -47.43619 -44.38314 3.05306 2.26181 -44.73389 985.30839 760.0000 -46.80702 -45.11582 1.69120 2.22822 -44.98951 835.75477 765.0000 -47.96166 -45.38523 2.57643 2.18674 -45.30528 842.76873 770.0000 -47.65768 -45.56875 2.08893 2.09187 -46.02741 743.53417 775.0000 -47.93961 -44.46756 3.47205 2.25274 -44.80291 885.22277 780.0000 -47.78132 -45.51544 2.26588 2.24394 -44.86985 953.55040 785.0000 -47.18460 -45.01006 2.17454 2.17695 -45.37980 880.06869 790.0000 -48.41871 -45.76816 2.65055 2.18351 -45.32983 922.94967 795.0000 -48.43367 -45.86191 2.57176 2.11699 -45.83621 814.97395 800.0000 -48.45462 -45.43928 3.01534 2.19297 -45.25784 899.58357 805.0000 -46.61709 -44.81831 1.79877 2.24641 -44.85109 949.46076 810.0000 -47.37834 -44.99003 2.38831 2.21489 -45.09101 886.88981 815.0000 -46.56398 -44.46428 2.09970 2.29999 -44.44322 984.78426 820.0000 -47.29398 -44.68431 2.60966 2.26345 -44.72141 922.03824 825.0000 -47.52187 -45.84821 1.67366 2.18067 -45.35144 906.46545 830.0000 -47.98270 -45.36288 2.61982 2.12878 -45.74645 819.30932 835.0000 -47.89160 -45.46176 2.42984 2.14822 -45.59846 820.68096 840.0000 -48.16878 -45.46679 2.70199 2.18786 -45.29671 853.55583 845.0000 -48.24193 -45.83598 2.40595 2.18991 -45.28114 929.04553 850.0000 -47.27150 -44.47584 2.79566 2.28479 -44.55894 960.39685 855.0000 -47.59536 -44.88820 2.70716 2.23061 -44.97137 918.14968 860.0000 -47.67364 -44.95493 2.71871 2.23961 -44.90285 965.86557 865.0000 -47.74267 -45.70830 2.03436 2.19482 -45.24378 889.04374 870.0000 -47.61561 -45.37939 2.23622 2.21571 -45.08473 887.09646 875.0000 -47.30115 -44.98711 2.31404 2.11459 -45.85444 786.03807 880.0000 -48.19980 -45.60408 2.59572 2.21766 -45.06996 934.81352 885.0000 -47.71356 -45.98886 1.72470 2.14866 -45.59514 834.36128 890.0000 -48.45372 -46.31488 2.13884 2.05011 -46.34525 767.21082 895.0000 -48.42735 -46.06973 2.35761 2.08323 -46.09319 828.55526 900.0000 -47.92459 -45.59027 2.33432 2.16578 -45.46480 915.64981 905.0000 -47.67080 -45.15815 2.51265 2.19643 -45.23148 846.09452 910.0000 -47.41926 -44.46909 2.95017 2.22972 -44.97816 923.00524 915.0000 -47.50557 -45.26986 2.23571 2.26469 -44.71194 943.61936 920.0000 -47.43411 -45.41804 2.01607 2.21014 -45.12715 911.17429 925.0000 -48.22343 -45.37910 2.84433 2.17863 -45.36702 858.75165 930.0000 -48.17488 -45.21543 2.95945 2.19614 -45.23374 908.82535 935.0000 -48.01976 -45.57396 2.44580 2.16433 -45.47589 875.87597 940.0000 -47.78745 -44.31568 3.47177 2.27102 -44.66377 930.36772 945.0000 -48.02920 -44.64206 3.38715 2.23173 -44.96281 912.82365 950.0000 -47.08891 -44.40953 2.67938 2.35027 -44.06055 1009.26734 955.0000 -47.32844 -44.55020 2.77824 2.32583 -44.24654 994.41939 960.0000 -47.13902 -45.11615 2.02287 2.21284 -45.10664 908.40543 965.0000 -47.45605 -44.42043 3.03562 2.17147 -45.42150 857.48411 970.0000 -47.20527 -45.51740 1.68787 2.21792 -45.06794 918.87999 975.0000 -47.11630 -45.49447 1.62183 2.13186 -45.72297 857.44827 980.0000 -47.30123 -44.81791 2.48333 2.19244 -45.26185 873.90994 985.0000 -47.38588 -45.56073 1.82514 2.25719 -44.76902 933.38290 990.0000 -48.23185 -45.42886 2.80298 2.16242 -45.49039 844.91922 995.0000 -47.88822 -45.27043 2.61778 2.15176 -45.57155 841.54245 1000.0000 -47.54415 -45.70932 1.83483 2.11891 -45.82157 864.26326 FREEZING PROCESS: loop number 5 T-loop= 857.00000000000000 main_MD> interactions number 5 at Temperature= 857.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.77879 0.32168 0.40964 force_rgl> df(natom) 2.76212 2.29655 0.14246 1005.0000 -48.25741 -45.64426 2.61315 2.20031 -45.20198 970.92609 1010.0000 -48.30182 -45.88906 2.41276 2.13853 -45.67222 841.22833 1015.0000 -47.29179 -45.69075 1.60104 2.14309 -45.63756 803.58272 1020.0000 -47.84363 -45.09027 2.75336 2.20199 -45.18917 830.57461 1025.0000 -47.80959 -45.19740 2.61219 2.18694 -45.30375 865.53987 1030.0000 -47.30198 -45.42741 1.87457 2.17353 -45.40580 857.27210 1035.0000 -48.19338 -45.64204 2.55134 2.22620 -45.00490 899.54248 1040.0000 -48.58440 -46.34600 2.23840 2.07290 -46.17175 802.59404 1045.0000 -48.29559 -46.28051 2.01508 2.10664 -45.91497 807.80883 1050.0000 -48.19375 -45.92459 2.26917 2.08786 -46.05792 818.26498 1055.0000 -47.63690 -45.43429 2.20261 2.14789 -45.60100 840.33011 1060.0000 -47.51099 -44.95068 2.56031 2.22521 -45.01245 955.82745 1065.0000 -47.90300 -45.41080 2.49220 2.21938 -45.05685 925.42405 1070.0000 -47.59190 -44.93309 2.65881 2.19928 -45.20983 981.71793 1075.0000 -48.23709 -46.32446 1.91263 2.15574 -45.54124 887.89746 1080.0000 -48.54378 -46.12268 2.42110 2.04803 -46.36107 782.50859 1085.0000 -47.09233 -45.09632 1.99601 2.13515 -45.69796 910.90340 1090.0000 -47.31707 -44.85522 2.46185 2.18921 -45.28644 884.19630 1095.0000 -46.96570 -44.91239 2.05331 2.22338 -45.02640 851.75868 1100.0000 -47.40699 -45.94992 1.45707 2.20275 -45.18339 849.96310 1105.0000 -48.32657 -46.20917 2.11740 2.09951 -45.96923 747.65059 1110.0000 -48.70306 -46.18186 2.52120 2.09055 -46.03747 777.89111 1115.0000 -47.61964 -45.72277 1.89687 2.08091 -46.11083 738.25187 1120.0000 -47.29926 -45.46106 1.83820 2.18618 -45.30950 894.84333 1125.0000 -47.69327 -45.80444 1.88883 2.12078 -45.80737 767.49192 1130.0000 -47.73731 -45.42549 2.31182 2.18342 -45.33057 925.59252 1135.0000 -48.20099 -45.40430 2.79669 2.19869 -45.21433 960.87202 1140.0000 -47.17687 -44.68336 2.49351 2.27739 -44.61528 1003.47285 1145.0000 -48.31079 -46.00975 2.30104 2.19785 -45.22074 865.57813 1150.0000 -48.09226 -46.22889 1.86338 2.10940 -45.89395 740.16172 1155.0000 -47.68630 -45.89046 1.79584 2.13698 -45.68405 865.16644 1160.0000 -47.76657 -45.39159 2.37498 2.14837 -45.59736 907.38348 1165.0000 -47.27617 -44.89198 2.38419 2.22984 -44.97723 919.33530 1170.0000 -47.98565 -45.38223 2.60342 2.21980 -45.05366 902.24204 1175.0000 -47.95270 -45.90007 2.05263 2.11522 -45.84968 767.28729 1180.0000 -47.84996 -45.50785 2.34211 2.14056 -45.65681 883.25870 1185.0000 -47.91065 -46.17496 1.73569 2.07566 -46.15075 774.65808 1190.0000 -48.91783 -46.94756 1.97027 1.99888 -46.73517 716.29875 1195.0000 -47.90455 -46.07414 1.83040 2.04333 -46.39689 760.48862 1200.0000 -49.09858 -46.83188 2.26670 2.04972 -46.34820 739.57273 1205.0000 -48.05791 -45.97941 2.07850 2.07420 -46.16190 778.85460 1210.0000 -48.65745 -45.82853 2.82892 2.07223 -46.17688 757.92179 1215.0000 -47.67255 -44.91456 2.75799 2.20421 -45.17233 907.71099 1220.0000 -47.38227 -45.02634 2.35594 2.26420 -44.71564 953.84863 1225.0000 -47.99503 -45.26165 2.73338 2.20267 -45.18401 899.84043 1230.0000 -47.59700 -45.65633 1.94066 2.18749 -45.29955 901.98579 1235.0000 -48.52151 -46.53727 1.98424 2.04343 -46.39612 764.57446 1240.0000 -48.64146 -46.26880 2.37266 2.06796 -46.20939 758.36203 1245.0000 -47.48722 -45.28617 2.20105 2.08467 -46.08223 725.31597 1250.0000 -47.78354 -45.27391 2.50963 2.16532 -45.46829 830.34561 FREEZING PROCESS: loop number 6 T-loop= 832.00000000000000 main_MD> interactions number 6 at Temperature= 832.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.83841 -0.14559 -1.11181 force_rgl> df(natom) -5.54957 -1.88722 1.25969 1255.0000 -48.31620 -45.74207 2.57414 2.19737 -45.22433 897.47090 1260.0000 -48.10664 -45.06847 3.03817 2.17912 -45.36325 889.39125 1265.0000 -48.73774 -46.82045 1.91729 2.13714 -45.68280 813.05461 1270.0000 -49.47525 -47.13314 2.34212 1.95634 -47.05899 669.70356 1275.0000 -48.14795 -45.60088 2.54707 2.05685 -46.29398 759.93923 1280.0000 -48.43244 -46.19068 2.24177 2.13161 -45.72494 859.36524 1285.0000 -47.98923 -46.23744 1.75179 2.10457 -45.93076 808.55901 1290.0000 -47.88459 -44.84009 3.04450 2.15482 -45.54824 861.11441 1295.0000 -47.33378 -45.44063 1.89315 2.17603 -45.38680 880.76341 1300.0000 -48.30179 -46.42194 1.87985 2.17272 -45.41201 866.90972 1305.0000 -48.51863 -45.50386 3.01477 2.05863 -46.28040 718.84755 1310.0000 -48.95480 -46.81605 2.13875 2.06360 -46.24259 800.07515 1315.0000 -48.19212 -46.47857 1.71355 2.03825 -46.43550 771.55958 1320.0000 -47.89236 -45.77635 2.11602 2.12522 -45.77355 827.35645 1325.0000 -48.57813 -46.00303 2.57510 2.07241 -46.17550 743.97302 1330.0000 -48.50290 -47.07063 1.43227 2.03009 -46.49763 719.88514 1335.0000 -48.11615 -46.17683 1.93932 2.04578 -46.37823 715.66090 1340.0000 -48.29566 -45.81535 2.48031 2.06416 -46.23832 754.15334 1345.0000 -47.38031 -44.50848 2.87182 2.24822 -44.83732 986.09933 1350.0000 -48.45459 -46.13523 2.31936 2.16906 -45.43982 896.63212 1355.0000 -48.31235 -45.95261 2.35974 2.08721 -46.06289 830.46675 1360.0000 -47.76671 -46.35758 1.40913 2.12212 -45.79712 818.66949 1365.0000 -47.83193 -45.22489 2.60704 2.17169 -45.41982 857.36348 1370.0000 -48.96330 -46.71345 2.24985 2.11537 -45.84849 825.52817 1375.0000 -47.79949 -45.22128 2.57821 2.07453 -46.15937 744.42045 1380.0000 -47.94301 -45.08261 2.86040 2.17250 -45.41364 951.80493 1385.0000 -47.58931 -45.39326 2.19604 2.24987 -44.82474 954.75139 1390.0000 -48.31086 -45.57129 2.73957 2.17739 -45.37644 833.18053 1395.0000 -48.05014 -46.08190 1.96823 2.12339 -45.78750 752.16067 1400.0000 -47.49358 -45.05569 2.43789 2.15182 -45.57108 875.74407 1405.0000 -48.02777 -45.98955 2.03822 2.18794 -45.29610 890.35216 1410.0000 -47.89196 -45.94575 1.94621 2.08265 -46.09754 752.40820 1415.0000 -48.21839 -45.75232 2.46607 2.10628 -45.91773 780.22636 1420.0000 -47.75919 -44.42619 3.33300 2.18426 -45.32414 921.24937 1425.0000 -48.21648 -46.13327 2.08321 2.16926 -45.43829 956.93257 1430.0000 -48.22893 -46.08511 2.14382 2.12330 -45.78817 793.10483 1435.0000 -48.38526 -45.79160 2.59366 2.12309 -45.78973 811.83208 1440.0000 -47.69702 -45.60683 2.09019 2.16948 -45.43664 833.21280 1445.0000 -48.04098 -46.10396 1.93702 2.10974 -45.89136 765.23609 1450.0000 -47.77398 -45.17351 2.60047 2.16603 -45.46294 836.69045 1455.0000 -47.93834 -44.82737 3.11097 2.18870 -45.29038 857.40612 1460.0000 -48.79658 -46.97520 1.82138 2.15279 -45.56366 871.71575 1465.0000 -48.30008 -45.81122 2.48886 2.06795 -46.20949 740.95580 1470.0000 -48.12987 -46.24038 1.88949 2.08029 -46.11557 791.31664 1475.0000 -47.89642 -45.29730 2.59912 2.10117 -45.95659 774.64521 1480.0000 -48.30887 -46.39336 1.91551 2.13950 -45.66482 834.20618 1485.0000 -48.35900 -46.63779 1.72122 2.06360 -46.24261 766.61301 1490.0000 -48.32807 -46.42637 1.90170 2.06422 -46.23786 738.72265 1495.0000 -48.47711 -45.96118 2.51593 2.11305 -45.86620 827.39680 1500.0000 -48.25442 -46.20907 2.04535 2.14068 -45.65583 815.13143 FREEZING PROCESS: loop number 7 T-loop= 807.00000000000000 main_MD> interactions number 7 at Temperature= 807.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.24913 -0.22812 2.76180 force_rgl> df(natom) -1.93829 0.01474 2.32880 1505.0000 -48.18007 -45.91109 2.26898 2.07527 -46.15373 814.71114 1510.0000 -48.40540 -46.21652 2.18888 2.10824 -45.90278 819.98468 1515.0000 -47.75147 -45.37376 2.37771 2.15754 -45.52752 849.84380 1520.0000 -47.09278 -44.37584 2.71693 2.20717 -45.14977 893.95708 1525.0000 -47.77605 -44.66729 3.10876 2.29418 -44.48745 1002.42506 1530.0000 -47.03486 -43.78679 3.24807 2.37575 -43.86662 1067.49530 1535.0000 -47.25630 -44.65138 2.60491 2.31092 -44.36008 994.34595 1540.0000 -47.55388 -45.57650 1.97738 2.18044 -45.35320 881.86139 1545.0000 -48.39611 -46.45107 1.94504 2.10723 -45.91045 820.54306 1550.0000 -48.44265 -46.57897 1.86368 2.05236 -46.32816 757.27874 1555.0000 -47.92875 -46.20677 1.72198 2.10302 -45.94254 792.79140 1560.0000 -48.26779 -46.41254 1.85526 2.01707 -46.59678 674.56108 1565.0000 -48.61042 -46.91833 1.69209 2.01833 -46.58719 700.19696 1570.0000 -48.05112 -45.75198 2.29914 2.06673 -46.21872 760.91311 1575.0000 -48.73039 -46.80836 1.92203 2.00080 -46.72058 722.40941 1580.0000 -48.24500 -46.12755 2.11744 2.06514 -46.23086 788.45017 1585.0000 -47.03430 -45.25051 1.78379 2.15223 -45.56793 890.05914 1590.0000 -47.80873 -46.00443 1.80430 2.10903 -45.89677 844.54328 1595.0000 -48.36449 -46.40260 1.96189 2.07017 -46.19258 762.72301 1600.0000 -48.77507 -46.85579 1.91928 1.98299 -46.85615 693.80658 1605.0000 -48.68449 -46.79519 1.88931 1.99982 -46.72806 719.76781 1610.0000 -49.11632 -47.32757 1.78876 1.91489 -47.37449 634.72812 1615.0000 -48.65517 -46.18085 2.47432 2.01703 -46.59708 760.49270 1620.0000 -47.72120 -45.68126 2.03993 2.04581 -46.37797 696.35299 1625.0000 -47.65377 -45.09026 2.56351 2.16625 -45.46127 843.46856 1630.0000 -47.34456 -46.03051 1.31405 2.11776 -45.83034 757.55395 1635.0000 -48.06634 -45.75124 2.31510 2.08852 -46.05288 819.98678 1640.0000 -47.43660 -45.30296 2.13364 2.14754 -45.60363 832.23205 1645.0000 -48.47138 -46.50009 1.97129 2.13186 -45.72299 838.06054 1650.0000 -47.77271 -45.77825 1.99447 2.05805 -46.28480 763.51433 1655.0000 -47.04458 -45.12424 1.92034 2.17494 -45.39510 844.58064 1660.0000 -49.06118 -45.89381 3.16738 2.19441 -45.24692 913.90848 1665.0000 -47.16847 -45.01524 2.15323 2.13169 -45.72431 900.47542 1670.0000 -48.32655 -46.06851 2.25804 2.14172 -45.64794 814.75198 1675.0000 -48.11481 -45.90524 2.20957 2.06557 -46.22754 705.73901 1680.0000 -47.18459 -45.41574 1.76885 2.17340 -45.40683 883.73661 1685.0000 -48.41404 -45.87609 2.53795 2.17672 -45.38158 860.66384 1690.0000 -48.00911 -46.00704 2.00207 2.10605 -45.91949 838.59201 1695.0000 -48.41337 -46.35742 2.05595 2.11363 -45.86180 793.21790 1700.0000 -48.33501 -46.16221 2.17280 1.96513 -46.99211 709.09290 1705.0000 -48.65116 -46.74116 1.91001 2.05155 -46.33426 771.20313 1710.0000 -48.72323 -47.24706 1.47617 1.93984 -47.18461 671.13352 1715.0000 -48.10486 -46.19235 1.91251 1.99602 -46.75699 731.33872 1720.0000 -47.59767 -45.75461 1.84306 2.10493 -45.92801 762.79687 1725.0000 -47.96037 -46.03127 1.92910 2.08411 -46.08647 780.50229 1730.0000 -49.08224 -46.82686 2.25538 2.08605 -46.07166 788.11460 1735.0000 -48.57251 -46.60612 1.96639 1.97495 -46.91738 691.20984 1740.0000 -48.36365 -46.74910 1.61455 1.99949 -46.73052 722.86918 1745.0000 -48.47869 -46.78702 1.69168 1.96193 -47.01646 674.40967 1750.0000 -48.12222 -46.36952 1.75270 2.09149 -46.03028 849.92211 FREEZING PROCESS: loop number 8 T-loop= 782.00000000000000 main_MD> interactions number 8 at Temperature= 782.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.52300 1.40708 4.16789 force_rgl> df(natom) 2.47592 3.49457 1.01034 1755.0000 -48.02482 -46.26281 1.76200 2.08547 -46.07609 803.82019 1760.0000 -48.76865 -46.38057 2.38808 2.05769 -46.28759 736.17724 1765.0000 -48.14478 -46.17195 1.97283 2.09995 -45.96593 786.88069 1770.0000 -47.96982 -45.78816 2.18166 2.06335 -46.24448 775.08546 1775.0000 -47.89773 -45.32120 2.57653 2.12497 -45.77544 798.97328 1780.0000 -48.45511 -46.70740 1.74771 2.14261 -45.64114 820.65968 1785.0000 -48.15834 -46.56403 1.59431 2.00142 -46.71590 635.86633 1790.0000 -48.94246 -46.55156 2.39091 2.08983 -46.04294 787.78825 1795.0000 -47.82605 -45.47619 2.34986 2.10275 -45.94456 820.68594 1800.0000 -47.25507 -45.77164 1.48343 2.14918 -45.59119 838.97687 1805.0000 -48.51916 -45.60981 2.90935 2.16705 -45.45511 854.49353 1810.0000 -48.56122 -46.23893 2.32230 2.03404 -46.46758 720.25863 1815.0000 -48.68188 -46.75823 1.92365 2.06550 -46.22814 706.14375 1820.0000 -47.95340 -46.30490 1.64850 2.00615 -46.67983 638.03389 1825.0000 -49.13519 -47.21035 1.92484 1.97990 -46.87968 686.05804 1830.0000 -48.19418 -46.25999 1.93419 2.00063 -46.72186 712.63993 1835.0000 -48.48145 -46.39692 2.08453 2.03467 -46.46281 783.53860 1840.0000 -49.29879 -47.03356 2.26523 1.96761 -46.97320 710.88545 1845.0000 -47.72080 -45.96183 1.75896 2.05643 -46.29713 757.59571 1850.0000 -48.21137 -46.48132 1.73005 2.03891 -46.43051 683.23499 1855.0000 -48.95999 -47.16852 1.79147 1.98767 -46.82051 696.44039 1860.0000 -49.04945 -47.05949 1.98996 2.00279 -46.70545 753.14824 1865.0000 -49.16689 -46.87467 2.29222 1.99147 -46.79157 704.84586 1870.0000 -48.42659 -46.32920 2.09739 2.03663 -46.44789 747.71731 1875.0000 -48.01293 -45.85598 2.15695 2.11886 -45.82197 892.93854 1880.0000 -47.51996 -45.86630 1.65366 2.10610 -45.91909 804.92965 1885.0000 -47.81636 -45.86292 1.95344 2.10689 -45.91310 707.59774 1890.0000 -47.68726 -45.11052 2.57674 2.13726 -45.68187 797.97653 1895.0000 -47.84701 -45.62808 2.21893 2.14945 -45.58910 792.19436 1900.0000 -47.44358 -45.16687 2.27671 2.13240 -45.71886 782.52773 1905.0000 -48.05871 -46.45218 1.60653 2.08284 -46.09614 789.07841 1910.0000 -48.60302 -46.27963 2.32339 2.05375 -46.31752 819.09907 1915.0000 -48.34481 -46.35607 1.98875 2.07300 -46.17105 783.18896 1920.0000 -48.19631 -46.53504 1.66126 2.04775 -46.36322 686.19312 1925.0000 -48.07449 -46.31424 1.76025 2.07870 -46.12761 792.84887 1930.0000 -47.54642 -45.63745 1.90896 2.09048 -46.03798 781.87626 1935.0000 -47.91383 -45.85214 2.06169 2.17694 -45.37986 814.78795 1940.0000 -48.21568 -46.30830 1.90739 2.04461 -46.38715 724.93950 1945.0000 -48.71660 -46.60025 2.11635 2.03510 -46.45952 753.58275 1950.0000 -48.61729 -46.58436 2.03293 2.03153 -46.48664 722.20861 1955.0000 -48.37438 -46.22629 2.14808 2.05085 -46.33960 698.11486 1960.0000 -48.24109 -45.57432 2.66677 2.13681 -45.68533 843.99011 1965.0000 -48.35450 -46.40782 1.94669 2.11470 -45.85364 788.41313 1970.0000 -48.70620 -46.62523 2.08098 2.01425 -46.61821 671.62818 1975.0000 -48.98567 -47.40371 1.58196 1.95661 -47.05695 613.71117 1980.0000 -47.65121 -45.61860 2.03261 1.99550 -46.76091 663.28248 1985.0000 -48.57483 -45.92647 2.64836 2.09566 -45.99857 778.43410 1990.0000 -48.38881 -46.39849 1.99032 2.03005 -46.49794 736.43049 1995.0000 -49.03072 -46.15554 2.87518 2.06071 -46.26455 747.59457 2000.0000 -48.17810 -46.19459 1.98351 2.03843 -46.43416 788.77102 FREEZING PROCESS: loop number 9 T-loop= 757.00000000000000 main_MD> interactions number 9 at Temperature= 757.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.66301 -0.96419 2.98401 force_rgl> df(natom) -2.25252 -0.73309 -2.24260 2005.0000 -47.82185 -45.74793 2.07392 2.04507 -46.38362 716.26807 2010.0000 -48.74914 -46.38678 2.36236 2.06566 -46.22687 779.52924 2015.0000 -48.02954 -45.89329 2.13625 2.10578 -45.92154 800.36096 2020.0000 -48.38316 -45.74912 2.63404 2.15562 -45.54212 857.76852 2025.0000 -47.97876 -45.93731 2.04146 2.13059 -45.73270 790.77856 2030.0000 -48.22628 -45.72707 2.49921 2.10758 -45.90783 805.55658 2035.0000 -48.30291 -46.18719 2.11571 2.07866 -46.12796 836.79137 2040.0000 -47.96812 -46.24795 1.72017 2.04063 -46.41744 701.38412 2045.0000 -48.29431 -46.04827 2.24603 2.05514 -46.30696 709.39215 2050.0000 -48.16843 -45.24778 2.92066 2.16655 -45.45898 833.41751 2055.0000 -48.61056 -46.87874 1.73182 2.08176 -46.10438 758.52330 2060.0000 -48.11163 -46.47811 1.63352 2.04350 -46.39560 751.21469 2065.0000 -48.27912 -46.53551 1.74361 2.05084 -46.33972 773.69876 2070.0000 -48.63466 -46.54801 2.08665 2.02511 -46.53555 770.49359 2075.0000 -48.64261 -47.10905 1.53356 1.95616 -47.06037 679.36442 2080.0000 -48.25643 -46.32262 1.93381 2.01543 -46.60921 730.53780 2085.0000 -48.22981 -46.61110 1.61871 2.00417 -46.69496 649.99318 2090.0000 -48.50671 -46.53438 1.97233 2.04165 -46.40967 778.07770 2095.0000 -48.73972 -46.73468 2.00504 2.02402 -46.54384 737.42268 2100.0000 -48.71708 -46.69655 2.02053 1.99280 -46.78148 722.97098 2105.0000 -48.93870 -47.00635 1.93235 1.94281 -47.16197 640.97774 2110.0000 -48.22574 -46.46372 1.76202 1.98087 -46.87229 696.27207 2115.0000 -48.45544 -46.53413 1.92131 2.04216 -46.40573 738.89021 2120.0000 -48.60035 -47.01779 1.58256 1.99456 -46.76805 692.54192 2125.0000 -47.90385 -45.80930 2.09455 1.99143 -46.79194 701.41364 2130.0000 -48.32374 -46.09949 2.22425 2.09107 -46.03350 813.93665 2135.0000 -48.32696 -46.62487 1.70209 2.02331 -46.54926 750.09482 2140.0000 -47.90031 -46.22563 1.67468 2.07151 -46.18240 770.79289 2145.0000 -48.24226 -46.20575 2.03651 2.10890 -45.89777 807.07580 2150.0000 -47.43096 -45.76146 1.66950 2.12848 -45.74875 850.06356 2155.0000 -47.34198 -45.65951 1.68246 2.09919 -45.97170 717.94723 2160.0000 -48.58673 -46.55517 2.03156 2.07115 -46.18508 771.74485 2165.0000 -48.90601 -46.49682 2.40919 2.01332 -46.62530 720.08582 2170.0000 -48.11775 -45.83291 2.28484 2.04199 -46.40710 703.41486 2175.0000 -48.25758 -46.19746 2.06012 2.06388 -46.24043 723.66081 2180.0000 -48.27970 -45.56867 2.71103 2.16598 -45.46327 849.29980 2185.0000 -49.13581 -47.16146 1.97435 2.05933 -46.27504 742.59645 2190.0000 -48.58994 -46.91879 1.67115 1.95896 -47.03905 696.44268 2195.0000 -48.82449 -46.78966 2.03483 2.01974 -46.57644 712.50085 2200.0000 -48.79253 -47.07214 1.72040 1.95962 -47.03402 677.75151 2205.0000 -48.15486 -46.26196 1.89290 2.02542 -46.53316 730.26598 2210.0000 -48.98639 -46.63670 2.34969 2.02382 -46.54537 717.56658 2215.0000 -48.25968 -46.63669 1.62299 1.99974 -46.72863 693.54957 2220.0000 -48.43073 -46.12671 2.30402 2.08230 -46.10027 836.84356 2225.0000 -48.27047 -46.11665 2.15382 2.08267 -46.09742 786.77184 2230.0000 -47.98447 -46.21594 1.76853 2.07090 -46.18699 765.89264 2235.0000 -48.77052 -46.32166 2.44886 2.02463 -46.53920 724.45719 2240.0000 -48.50433 -46.81997 1.68436 2.03230 -46.48082 768.07840 2245.0000 -48.60129 -45.74140 2.85989 2.02945 -46.50248 759.93361 2250.0000 -48.60751 -46.30788 2.29963 2.10791 -45.90529 861.04967 FREEZING PROCESS: loop number 10 T-loop= 732.00000000000000 main_MD> interactions number 10 at Temperature= 732.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.43334 1.12066 -2.47172 force_rgl> df(natom) 1.89133 0.95846 1.28584 2255.0000 -48.42781 -46.23363 2.19418 2.05022 -46.34438 725.21685 2260.0000 -48.60433 -46.86129 1.74304 1.96954 -46.95851 656.30984 2265.0000 -48.03783 -46.67623 1.36160 1.99551 -46.76082 692.97974 2270.0000 -48.09071 -46.19550 1.89520 2.06515 -46.23076 782.55934 2275.0000 -47.79302 -45.80581 1.98722 2.10095 -45.95825 760.23277 2280.0000 -48.17864 -45.65286 2.52577 2.14007 -45.66050 885.40527 2285.0000 -48.21120 -45.54535 2.66585 2.11107 -45.88126 859.02279 2290.0000 -48.16970 -46.17021 1.99949 2.13697 -45.68410 822.19551 2295.0000 -48.07731 -46.12021 1.95710 2.09629 -45.99377 842.22273 2300.0000 -47.40847 -45.20986 2.19861 2.12554 -45.77108 777.33613 2305.0000 -48.31888 -46.34028 1.97859 2.14123 -45.65169 853.94333 2310.0000 -48.58847 -46.64806 1.94040 2.07156 -46.18195 854.33526 2315.0000 -48.97460 -46.69091 2.28369 1.96754 -46.97379 617.38864 2320.0000 -48.29130 -46.42846 1.86284 2.01921 -46.58044 738.61498 2325.0000 -48.42345 -45.41199 3.01146 2.07792 -46.13356 822.27279 2330.0000 -47.51147 -45.48237 2.02910 2.17223 -45.41574 889.13387 2335.0000 -47.90909 -45.72192 2.18717 2.14946 -45.58901 870.80491 2340.0000 -47.86323 -45.85716 2.00607 2.12628 -45.76549 802.41551 2345.0000 -48.61355 -45.90586 2.70769 2.12252 -45.79412 809.46490 2350.0000 -48.28225 -46.15479 2.12746 1.98160 -46.86676 705.77613 2355.0000 -48.28105 -45.56204 2.71901 2.06170 -46.25705 776.65619 2360.0000 -48.16531 -46.51823 1.64709 2.13278 -45.71603 828.00913 2365.0000 -48.75659 -46.91944 1.83715 2.07683 -46.14184 731.58486 2370.0000 -48.34956 -46.49504 1.85452 2.00782 -46.66713 675.10061 2375.0000 -47.38257 -45.47499 1.90758 2.06346 -46.24365 789.76039 2380.0000 -48.52757 -46.51144 2.01613 2.09495 -46.00398 793.23940 2385.0000 -48.45416 -46.42588 2.02829 2.02824 -46.51170 715.79355 2390.0000 -48.17822 -45.64677 2.53145 2.07596 -46.14846 783.44207 2395.0000 -48.75471 -45.96775 2.78696 2.14466 -45.62560 920.83737 2400.0000 -47.66473 -45.94075 1.72398 2.15333 -45.55960 864.86985 2405.0000 -48.47786 -45.94342 2.53443 2.08393 -46.08784 775.50393 2410.0000 -47.47533 -45.96708 1.50825 2.06883 -46.20280 692.69299 2415.0000 -47.48331 -45.77404 1.70927 2.11410 -45.85815 771.57320 2420.0000 -48.28149 -46.15140 2.13009 2.06502 -46.23178 738.46591 2425.0000 -48.79111 -46.91622 1.87489 2.06597 -46.22451 786.28531 2430.0000 -48.92904 -46.78596 2.14308 1.96484 -46.99431 665.43947 2435.0000 -48.53335 -46.55598 1.97737 1.95053 -47.10324 634.49560 2440.0000 -48.51120 -46.80574 1.70547 1.98742 -46.82246 694.30562 2445.0000 -48.64114 -46.89556 1.74558 1.98110 -46.87057 653.94448 2450.0000 -49.45854 -46.63454 2.82400 2.02655 -46.52462 731.18741 2455.0000 -48.93039 -46.68371 2.24667 2.00642 -46.67779 734.31593 2460.0000 -48.68409 -46.33865 2.34544 1.99870 -46.73656 735.59859 2465.0000 -48.14432 -46.10208 2.04224 2.01755 -46.59308 739.98628 2470.0000 -47.79625 -46.61981 1.17644 2.04206 -46.40653 690.76570 2475.0000 -48.59494 -47.21129 1.38366 1.98703 -46.82540 630.91960 2480.0000 -48.82787 -46.74144 2.08643 1.96014 -47.03004 649.52088 2485.0000 -48.39100 -46.56129 1.82971 2.01201 -46.63522 719.07366 2490.0000 -47.84771 -45.82890 2.01882 2.06588 -46.22518 778.51573 2495.0000 -47.91062 -46.07062 1.84000 2.08980 -46.04318 717.87979 2500.0000 -47.68242 -45.16855 2.51388 2.13193 -45.72248 827.92932 FREEZING PROCESS: loop number 11 T-loop= 707.00000000000000 main_MD> interactions number 11 at Temperature= 707.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.13143 -0.83304 0.90948 force_rgl> df(natom) 3.36722 -2.02563 -3.50873 2505.0000 -47.19337 -45.66221 1.53116 2.13317 -45.71306 833.50977 2510.0000 -48.33296 -46.17589 2.15707 2.06621 -46.22269 807.97279 2515.0000 -47.53104 -44.98236 2.54868 2.13566 -45.69406 816.71477 2520.0000 -48.44024 -45.50122 2.93902 2.17953 -45.36014 833.05885 2525.0000 -48.39014 -46.60330 1.78684 2.10405 -45.93472 735.24486 2530.0000 -48.62908 -46.46306 2.16601 1.98440 -46.84539 643.72401 2535.0000 -48.92309 -46.59445 2.32864 2.06912 -46.20053 777.43304 2540.0000 -48.69991 -46.58867 2.11124 2.07970 -46.12002 772.39221 2545.0000 -47.79607 -46.18067 1.61541 2.05210 -46.33010 695.63288 2550.0000 -48.43167 -47.10114 1.33053 2.03520 -46.45873 701.93110 2555.0000 -49.38585 -47.33720 2.04865 1.97703 -46.90149 689.93924 2560.0000 -48.43896 -46.48359 1.95537 2.01555 -46.60829 727.18011 2565.0000 -48.47003 -46.72279 1.74723 2.04094 -46.41504 710.19823 2570.0000 -48.07623 -46.64115 1.43508 1.98996 -46.80312 652.11861 2575.0000 -49.03201 -46.95854 2.07347 2.02160 -46.56226 752.77849 2580.0000 -48.20496 -46.21933 1.98563 2.00962 -46.65343 741.67867 2585.0000 -48.61837 -46.60330 2.01506 2.05008 -46.34547 782.74366 2590.0000 -49.26278 -47.09930 2.16348 1.98785 -46.81917 694.34688 2595.0000 -48.39577 -46.69896 1.69681 1.95318 -47.08306 703.19252 2600.0000 -48.65017 -46.89630 1.75386 2.00915 -46.65704 709.72959 2605.0000 -48.77461 -46.19088 2.58372 1.98245 -46.86024 689.85812 2610.0000 -49.02293 -47.02388 1.99904 2.00919 -46.65675 733.40737 2615.0000 -49.11253 -47.01566 2.09686 1.95819 -47.04496 646.16960 2620.0000 -48.94814 -47.10328 1.84486 1.93968 -47.18581 629.75842 2625.0000 -48.51682 -46.60269 1.91412 1.98700 -46.82560 734.45890 2630.0000 -47.65019 -45.33649 2.31369 2.13619 -45.69001 858.90620 2635.0000 -47.62009 -45.96582 1.65428 2.17884 -45.36541 828.45308 2640.0000 -49.13250 -47.30145 1.83105 2.05769 -46.28753 726.58205 2645.0000 -48.31717 -46.81922 1.49795 1.95831 -47.04401 625.68253 2650.0000 -48.55176 -46.44241 2.10935 2.04020 -46.42065 715.01314 2655.0000 -47.99412 -45.84084 2.15328 2.05075 -46.34035 755.98778 2660.0000 -49.22014 -47.01116 2.20897 2.06292 -46.24776 791.28194 2665.0000 -48.58273 -46.83270 1.75003 2.01566 -46.60745 740.94563 2670.0000 -48.23520 -45.73082 2.50438 2.07832 -46.13050 778.71043 2675.0000 -48.60612 -46.49237 2.11376 2.06045 -46.26654 738.36762 2680.0000 -49.11637 -47.45350 1.66286 1.94992 -47.10786 668.41704 2685.0000 -47.77729 -46.42250 1.35479 1.97143 -46.94410 683.89852 2690.0000 -48.94376 -46.70855 2.23520 2.02889 -46.50674 758.95305 2695.0000 -48.90415 -46.94524 1.95891 1.99293 -46.78048 745.54775 2700.0000 -48.97131 -46.73089 2.24041 1.97068 -46.94982 624.51195 2705.0000 -48.92133 -46.91269 2.00864 1.94625 -47.13584 671.13098 2710.0000 -48.72223 -47.15307 1.56916 1.98215 -46.86256 680.49081 2715.0000 -48.49713 -46.66669 1.83044 2.04623 -46.37480 759.99654 2720.0000 -48.36647 -46.56296 1.80351 1.99954 -46.73020 722.62086 2725.0000 -48.38955 -46.74965 1.63990 2.03896 -46.43012 740.24090 2730.0000 -48.42118 -46.43430 1.98687 2.02046 -46.57093 738.31244 2735.0000 -49.05196 -46.84899 2.20297 2.02635 -46.52608 744.72091 2740.0000 -48.08617 -44.97952 3.10665 2.13222 -45.72025 830.17266 2745.0000 -47.48001 -45.41312 2.06689 2.21238 -45.11012 873.38466 2750.0000 -48.38797 -46.65201 1.73596 2.10612 -45.91890 773.68764 FREEZING PROCESS: loop number 12 T-loop= 682.00000000000000 main_MD> interactions number 12 at Temperature= 682.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.36219 1.69802 -2.88456 force_rgl> df(natom) -2.52308 -3.23141 1.05837 2755.0000 -48.45929 -46.33211 2.12717 2.04926 -46.35172 690.99446 2760.0000 -48.69059 -46.95346 1.73713 1.96494 -46.99351 623.25111 2765.0000 -48.36956 -46.61470 1.75485 1.95469 -47.07154 626.70189 2770.0000 -47.90849 -46.59236 1.31614 2.02462 -46.53928 715.59229 2775.0000 -48.74830 -47.15312 1.59519 1.98534 -46.83826 649.05755 2780.0000 -49.09408 -47.67023 1.42385 1.92387 -47.30615 570.08174 2785.0000 -48.43020 -46.73545 1.69475 1.94858 -47.11806 586.30701 2790.0000 -48.42610 -47.00970 1.41639 1.98119 -46.86986 645.54962 2795.0000 -48.50074 -46.34380 2.15694 2.02486 -46.53747 744.55117 2800.0000 -48.53942 -46.63152 1.90791 2.06985 -46.19499 736.24222 2805.0000 -49.22049 -46.95086 2.26963 1.99782 -46.74329 695.76517 2810.0000 -49.13382 -47.02583 2.10798 1.96168 -47.01837 655.16118 2815.0000 -48.92037 -47.05498 1.86539 1.95056 -47.10297 639.17171 2820.0000 -48.78087 -46.31422 2.46665 2.02951 -46.50204 714.98586 2825.0000 -48.39506 -46.74619 1.64887 2.04250 -46.40318 773.76696 2830.0000 -49.20903 -47.49626 1.71277 1.95790 -47.04709 681.94370 2835.0000 -49.22179 -47.64842 1.57336 1.87118 -47.70721 573.68107 2840.0000 -48.73672 -46.47629 2.26042 1.96226 -47.01398 687.32878 2845.0000 -48.92294 -46.96642 1.95653 1.95108 -47.09904 681.84155 2850.0000 -48.92377 -47.47710 1.44666 1.91023 -47.40995 636.94381 2855.0000 -49.20972 -47.26588 1.94384 1.91025 -47.40982 610.46216 2860.0000 -49.13547 -46.77902 2.35644 1.98343 -46.85277 700.34386 2865.0000 -47.99273 -45.98928 2.00344 1.99886 -46.73537 668.87886 2870.0000 -48.16198 -45.86426 2.29772 2.07972 -46.11988 744.65480 2875.0000 -49.01270 -46.82912 2.18359 2.04913 -46.35272 761.34509 2880.0000 -49.07643 -46.82765 2.24878 1.93828 -47.19647 663.36834 2885.0000 -48.89115 -46.45198 2.43917 2.02174 -46.56123 757.80030 2890.0000 -48.81855 -47.28682 1.53172 1.94688 -47.13099 659.54467 2895.0000 -48.79496 -46.85683 1.93812 1.95756 -47.04970 629.92691 2900.0000 -48.68635 -46.79954 1.88681 1.98083 -46.87263 631.84650 2905.0000 -48.70017 -46.42237 2.27780 2.00090 -46.71979 673.23359 2910.0000 -48.13041 -46.06538 2.06503 2.07935 -46.12268 787.83591 2915.0000 -49.11961 -47.57432 1.54528 1.99800 -46.74190 748.53837 2920.0000 -49.17904 -47.63734 1.54170 1.89466 -47.52846 596.23424 2925.0000 -48.62477 -46.72891 1.89586 1.90589 -47.44298 622.02670 2930.0000 -48.70085 -47.08984 1.61101 1.99286 -46.78105 697.06941 2935.0000 -49.10400 -46.94048 2.16351 1.96624 -46.98361 689.42418 2940.0000 -48.82365 -47.18885 1.63480 1.95081 -47.10110 657.90053 2945.0000 -47.98231 -45.63970 2.34261 2.07997 -46.11799 834.87098 2950.0000 -47.96448 -45.92745 2.03704 2.18367 -45.32862 939.21607 2955.0000 -49.33230 -47.33364 1.99866 1.96336 -47.00558 686.90480 2960.0000 -49.32346 -47.20702 2.11644 1.91425 -47.37937 625.09103 2965.0000 -48.98847 -46.92259 2.06589 1.95817 -47.04506 677.74009 2970.0000 -48.87326 -47.20671 1.66655 1.94820 -47.12096 677.57328 2975.0000 -49.34982 -47.77978 1.57004 1.91830 -47.34858 577.76098 2980.0000 -49.43846 -47.90321 1.53525 1.87099 -47.70865 567.83008 2985.0000 -48.98501 -47.34420 1.64081 1.91022 -47.41003 636.30710 2990.0000 -49.01226 -46.98167 2.03060 1.92557 -47.29322 651.96466 2995.0000 -48.89869 -47.32345 1.57524 1.92854 -47.27064 637.99476 3000.0000 -49.67434 -47.56357 2.11077 1.95288 -47.08534 689.51059 FREEZING PROCESS: loop number 13 T-loop= 657.00000000000000 main_MD> interactions number 13 at Temperature= 657.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.46246 -0.73660 -2.01336 force_rgl> df(natom) -3.49696 2.28048 0.10125 3005.0000 -49.18513 -47.80814 1.37699 1.89462 -47.52880 594.80636 3010.0000 -48.89715 -47.48282 1.41433 1.87963 -47.64285 545.74223 3015.0000 -48.72013 -47.25116 1.46897 1.94899 -47.11498 612.46417 3020.0000 -49.13097 -46.95456 2.17642 1.92550 -47.29377 637.19126 3025.0000 -47.76189 -45.62657 2.13532 2.03212 -46.48222 788.71655 3030.0000 -48.69653 -46.35751 2.33902 2.06753 -46.21267 788.71020 3035.0000 -48.89040 -47.01882 1.87158 2.02837 -46.51074 752.22460 3040.0000 -48.35696 -45.94546 2.41150 2.06066 -46.26497 737.66415 3045.0000 -48.46410 -46.68315 1.78095 2.00240 -46.70840 691.49620 3050.0000 -48.72686 -47.03723 1.68963 1.97555 -46.91279 611.50202 3055.0000 -49.16358 -46.80556 2.35802 1.95623 -47.05981 672.36576 3060.0000 -48.61232 -46.91077 1.70155 1.95655 -47.05739 666.75215 3065.0000 -48.23476 -46.20758 2.02718 2.02046 -46.57097 731.38852 3070.0000 -48.77548 -46.93299 1.84249 2.00945 -46.65475 723.50708 3075.0000 -49.31812 -47.35843 1.95969 1.95574 -47.06357 669.26759 3080.0000 -48.96425 -47.12606 1.83819 1.98740 -46.82256 667.46732 3085.0000 -49.15646 -47.48554 1.67092 1.92526 -47.29560 600.71942 3090.0000 -48.99691 -47.11474 1.88217 1.96291 -47.00896 687.80844 3095.0000 -48.32166 -46.02506 2.29660 1.97661 -46.90468 728.18331 3100.0000 -49.52071 -47.42655 2.09416 2.01851 -46.58581 788.60148 3105.0000 -49.00256 -47.18282 1.81974 1.91428 -47.37911 637.57155 3110.0000 -48.56707 -46.98363 1.58344 1.93954 -47.18684 636.97512 3115.0000 -49.05137 -47.34368 1.70769 1.98739 -46.82269 685.91533 3120.0000 -48.85951 -47.09057 1.76894 1.93525 -47.21952 669.20921 3125.0000 -49.12800 -47.65811 1.46989 1.90909 -47.41863 596.27907 3130.0000 -49.24955 -47.58919 1.66036 1.92348 -47.30910 681.25304 3135.0000 -49.04361 -47.71407 1.32955 1.89635 -47.51560 621.33717 3140.0000 -49.10755 -46.98052 2.12703 1.94749 -47.12639 658.55620 3145.0000 -48.62094 -46.21819 2.40275 2.03527 -46.45821 773.76997 3150.0000 -49.10462 -47.17271 1.93191 2.01681 -46.59876 706.53946 3155.0000 -47.93773 -46.30970 1.62803 1.98878 -46.81206 683.88965 3160.0000 -47.52243 -45.99605 1.52638 2.07911 -46.12452 761.56844 3165.0000 -48.70984 -46.72693 1.98291 2.03594 -46.45307 763.38438 3170.0000 -48.64038 -46.72382 1.91656 1.97626 -46.90737 677.98627 3175.0000 -49.19021 -46.92418 2.26603 1.95984 -47.03233 684.46380 3180.0000 -48.91340 -47.29016 1.62324 1.93194 -47.24473 652.59107 3185.0000 -48.94155 -46.93965 2.00190 1.97142 -46.94422 706.68827 3190.0000 -48.75361 -47.17053 1.58308 1.95457 -47.07248 657.64106 3195.0000 -48.51164 -46.64564 1.86600 2.00082 -46.72046 716.45910 3200.0000 -48.31006 -46.61821 1.69185 1.98912 -46.80952 672.85531 3205.0000 -48.31736 -45.82363 2.49373 2.06900 -46.20146 746.56458 3210.0000 -48.47066 -46.87499 1.59568 2.00587 -46.68201 731.65581 3215.0000 -48.67272 -46.38763 2.28509 2.01311 -46.62686 740.02726 3220.0000 -48.46531 -46.93924 1.52607 2.06079 -46.26397 733.46256 3225.0000 -49.05787 -46.87150 2.18637 1.98107 -46.87078 680.80762 3230.0000 -48.59838 -46.78855 1.80983 2.02295 -46.55202 760.16890 3235.0000 -49.41947 -47.37606 2.04341 1.99503 -46.76453 713.41336 3240.0000 -48.95378 -47.34091 1.61287 1.86678 -47.74069 580.45702 3245.0000 -48.90185 -47.07261 1.82924 1.91850 -47.34703 625.62485 3250.0000 -48.75023 -46.54083 2.20940 1.97952 -46.88253 711.35818 FREEZING PROCESS: loop number 14 T-loop= 632.00000000000000 main_MD> interactions number 14 at Temperature= 632.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.10905 -0.45851 -1.12621 force_rgl> df(natom) 1.92023 -0.26754 -1.50972 3255.0000 -48.40130 -46.64535 1.75594 2.01965 -46.57707 673.00799 3260.0000 -49.07241 -47.33062 1.74180 1.93973 -47.18542 646.51598 3265.0000 -49.21914 -47.28597 1.93317 1.94454 -47.14879 665.41753 3270.0000 -48.90657 -47.13854 1.76803 1.92178 -47.32205 616.05916 3275.0000 -48.98879 -47.74011 1.24868 1.93083 -47.25319 625.59783 3280.0000 -49.37425 -47.86375 1.51050 1.86031 -47.78991 526.19239 3285.0000 -49.37429 -47.38984 1.98445 1.89337 -47.53833 596.12873 3290.0000 -49.57641 -48.14597 1.43044 1.88928 -47.56947 627.08017 3295.0000 -48.69831 -47.38660 1.31171 1.88240 -47.62182 589.63608 3300.0000 -48.55050 -46.28913 2.26138 1.97086 -46.94848 686.70968 3305.0000 -47.99255 -46.24703 1.74552 2.07053 -46.18979 764.20226 3310.0000 -48.72114 -46.62794 2.09320 2.04060 -46.41764 730.17825 3315.0000 -48.80931 -46.88305 1.92626 2.01687 -46.59825 705.44946 3320.0000 -48.71738 -47.05652 1.66085 1.97136 -46.94466 672.12452 3325.0000 -48.56323 -46.74339 1.81984 1.96673 -46.97993 622.63545 3330.0000 -48.98533 -47.18877 1.79656 1.95801 -47.04630 616.41686 3335.0000 -49.02752 -47.23961 1.78791 1.95472 -47.07129 643.28623 3340.0000 -49.93223 -48.23421 1.69803 1.93594 -47.21431 656.67498 3345.0000 -49.27116 -47.82405 1.44711 1.82423 -48.06455 534.88505 3350.0000 -49.06529 -47.36281 1.70248 1.86398 -47.76204 588.43717 3355.0000 -49.41857 -47.96876 1.44981 1.93043 -47.25623 647.40164 3360.0000 -48.33576 -46.79972 1.53604 1.90085 -47.48139 625.79664 3365.0000 -49.14991 -47.72303 1.42689 1.87005 -47.71583 560.16292 3370.0000 -49.29871 -47.79070 1.50801 1.91584 -47.36725 639.57082 3375.0000 -49.07476 -47.56904 1.50572 1.87476 -47.67998 548.86565 3380.0000 -48.88918 -47.55270 1.33648 1.88132 -47.63001 590.54346 3385.0000 -49.28323 -47.08315 2.20008 1.98758 -46.82120 699.01441 3390.0000 -48.93271 -46.98172 1.95099 1.96113 -47.02255 666.58708 3395.0000 -48.86031 -47.05195 1.80836 1.96890 -46.96340 690.92289 3400.0000 -48.21880 -46.15922 2.05959 1.97970 -46.88119 692.85592 3405.0000 -48.71516 -46.54266 2.17249 1.99912 -46.73340 635.34463 3410.0000 -48.89245 -46.73856 2.15389 1.99887 -46.73526 721.99587 3415.0000 -48.66705 -46.93397 1.73308 2.00792 -46.66642 746.28894 3420.0000 -49.46473 -47.62386 1.84087 1.92285 -47.31390 641.16835 3425.0000 -49.05204 -47.53157 1.52046 1.83109 -48.01233 516.16390 3430.0000 -49.27431 -47.06306 2.21125 1.96453 -46.99668 667.06152 3435.0000 -48.93198 -47.66866 1.26332 1.88774 -47.58120 586.31556 3440.0000 -48.58317 -46.53302 2.05015 1.95819 -47.04489 654.76354 3445.0000 -47.54843 -46.29010 1.25833 2.08786 -46.05793 739.73453 3450.0000 -48.30059 -46.52967 1.77092 2.06835 -46.20642 722.65991 3455.0000 -48.87309 -47.21324 1.65985 1.94773 -47.12450 599.98098 3460.0000 -49.11024 -47.69578 1.41446 1.91230 -47.39420 579.62711 3465.0000 -49.03663 -47.34000 1.69663 1.83864 -47.95489 536.31279 3470.0000 -49.12156 -47.11144 2.01012 1.92227 -47.31830 640.95121 3475.0000 -49.45210 -47.20975 2.24235 1.90635 -47.43953 603.93748 3480.0000 -48.55287 -46.68579 1.86708 1.93405 -47.22869 670.48450 3485.0000 -49.00419 -47.08701 1.91717 1.96930 -46.96032 679.36907 3490.0000 -47.97214 -46.18619 1.78595 2.00497 -46.68882 689.08579 3495.0000 -48.60204 -46.53482 2.06722 2.07549 -46.15203 774.17353 3500.0000 -48.04650 -46.44591 1.60059 2.04111 -46.41374 739.42695 FREEZING PROCESS: loop number 15 T-loop= 607.00000000000000 main_MD> interactions number 15 at Temperature= 607.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.31064 -1.78017 -1.11315 force_rgl> df(natom) 1.96221 -0.41515 1.51443 3505.0000 -48.66093 -46.81880 1.84213 2.00501 -46.68856 640.24475 3510.0000 -48.88077 -46.93541 1.94536 1.96806 -46.96980 709.64383 3515.0000 -49.53953 -48.09145 1.44807 1.87512 -47.67721 540.55962 3520.0000 -49.25765 -47.92496 1.33269 1.81966 -48.09935 517.56467 3525.0000 -49.30417 -48.01173 1.29244 1.83377 -47.99197 518.02162 3530.0000 -48.79560 -47.51535 1.28026 1.82014 -48.09571 505.54567 3535.0000 -49.31669 -47.49960 1.81709 1.89870 -47.49774 611.98913 3540.0000 -48.99268 -47.28969 1.70299 1.90607 -47.44163 619.57746 3545.0000 -49.03442 -47.14116 1.89326 1.95070 -47.10194 654.05050 3550.0000 -48.88174 -47.16100 1.72074 1.95077 -47.10136 640.45688 3555.0000 -49.08410 -47.23296 1.85114 1.89216 -47.54752 571.58313 3560.0000 -49.59799 -48.09363 1.50437 1.89818 -47.50172 593.37534 3565.0000 -48.99905 -47.32153 1.67751 1.82079 -48.09072 515.59573 3570.0000 -49.12115 -47.04441 2.07675 1.94807 -47.12196 669.36850 3575.0000 -48.87799 -47.01211 1.86587 1.94422 -47.15127 646.46928 3580.0000 -49.09184 -47.38327 1.70857 1.92449 -47.30145 629.66305 3585.0000 -49.24747 -47.73357 1.51390 1.89894 -47.49590 595.55629 3590.0000 -49.38723 -48.08616 1.30108 1.85724 -47.81333 569.91020 3595.0000 -48.65710 -47.31768 1.33941 1.92781 -47.27618 638.81371 3600.0000 -48.96858 -47.34919 1.61940 1.94286 -47.16159 673.35896 3605.0000 -49.43443 -47.68986 1.74457 1.89271 -47.54333 641.02234 3610.0000 -49.48302 -48.06966 1.41336 1.87803 -47.65506 607.12947 3615.0000 -49.85180 -48.33546 1.51633 1.80998 -48.17307 502.36695 3620.0000 -48.85423 -47.55414 1.30009 1.87337 -47.69055 560.60756 3625.0000 -49.53450 -47.66898 1.86552 1.88550 -47.59823 554.79894 3630.0000 -49.75469 -48.56126 1.19342 1.83798 -47.95989 537.64961 3635.0000 -49.38885 -47.88245 1.50640 1.78144 -48.39026 458.26067 3640.0000 -49.52432 -47.55562 1.96870 1.88473 -47.60405 596.06197 3645.0000 -49.50093 -47.99510 1.50583 1.84895 -47.87643 540.73795 3650.0000 -48.99628 -47.75430 1.24198 1.88396 -47.60992 584.09022 3655.0000 -49.12075 -47.65109 1.46966 1.84689 -47.89210 547.55484 3660.0000 -49.45396 -47.31189 2.14207 1.89757 -47.50637 614.50305 3665.0000 -49.51702 -47.67757 1.83945 1.85436 -47.83522 586.90728 3670.0000 -49.30905 -48.05197 1.25709 1.83773 -47.96179 534.16192 3675.0000 -49.16777 -46.77405 2.39372 1.89277 -47.54286 637.96092 3680.0000 -48.99558 -47.21790 1.77768 1.95578 -47.06328 611.30988 3685.0000 -48.81642 -47.43988 1.37654 1.87842 -47.65211 549.50249 3690.0000 -48.80683 -47.12816 1.67867 1.92797 -47.27493 592.66416 3695.0000 -49.12895 -47.53171 1.59725 1.94621 -47.13608 581.15740 3700.0000 -48.69018 -47.29967 1.39051 1.90166 -47.47521 537.06083 3705.0000 -48.86828 -47.85377 1.01451 1.91164 -47.39922 563.03014 3710.0000 -49.75222 -48.16231 1.58991 1.81777 -48.11375 462.74256 3715.0000 -49.24874 -48.08290 1.16584 1.83011 -48.01981 529.05314 3720.0000 -49.68906 -48.32153 1.36753 1.80572 -48.20545 515.42117 3725.0000 -49.27973 -47.82851 1.45122 1.82986 -48.02173 549.79970 3730.0000 -48.90809 -47.03274 1.87536 1.89383 -47.53478 612.55476 3735.0000 -49.46991 -47.51701 1.95290 1.96421 -46.99910 692.73699 3740.0000 -48.92513 -47.10635 1.81878 1.88797 -47.57943 534.94327 3745.0000 -48.89937 -46.87686 2.02251 1.98528 -46.83870 635.06239 3750.0000 -47.93563 -46.34300 1.59263 2.01106 -46.64247 711.13656 FREEZING PROCESS: loop number 16 T-loop= 582.00000000000000 main_MD> interactions number 16 at Temperature= 582.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.30458 0.70736 -1.53480 force_rgl> df(natom) 1.17291 3.13362 -2.48536 3755.0000 -48.43200 -46.63539 1.79661 2.02509 -46.53571 756.71715 3760.0000 -49.19366 -47.53828 1.65538 1.92916 -47.26589 639.58307 3765.0000 -49.32438 -48.14033 1.18404 1.83043 -48.01739 528.68964 3770.0000 -48.56999 -46.81642 1.75357 1.92755 -47.27812 625.47431 3775.0000 -48.72547 -46.87842 1.84705 1.96655 -46.98130 664.59758 3780.0000 -48.74159 -47.00101 1.74058 1.96389 -47.00156 639.25762 3785.0000 -49.44935 -47.84199 1.60737 1.89888 -47.49640 610.89166 3790.0000 -48.45903 -47.58025 0.87879 1.86983 -47.71751 563.98806 3795.0000 -48.62763 -46.66908 1.95855 1.94565 -47.14038 623.72457 3800.0000 -49.21978 -47.26157 1.95821 1.94862 -47.11778 586.72967 3805.0000 -49.20095 -47.73919 1.46176 1.90281 -47.46643 599.78876 3810.0000 -49.36950 -47.85972 1.50978 1.86109 -47.78404 580.12036 3815.0000 -48.95560 -46.94065 2.01495 1.91795 -47.35123 593.15160 3820.0000 -48.56898 -46.92962 1.63936 1.97609 -46.90864 642.90959 3825.0000 -49.09833 -47.74440 1.35392 1.94151 -47.17185 614.04193 3830.0000 -48.86282 -47.12595 1.73687 1.88751 -47.58290 582.98821 3835.0000 -48.86068 -46.86366 1.99703 1.96403 -47.00050 674.00313 3840.0000 -49.21526 -47.79402 1.42124 1.91088 -47.40500 636.02163 3845.0000 -49.55699 -47.77443 1.78256 1.85814 -47.80644 567.48380 3850.0000 -48.57057 -47.05094 1.51963 1.86859 -47.72696 546.62472 3855.0000 -49.33952 -47.96044 1.37908 1.87902 -47.64753 546.71247 3860.0000 -48.99437 -47.54849 1.44588 1.87956 -47.64344 587.94361 3865.0000 -49.44722 -47.53054 1.91668 1.89920 -47.49392 575.35195 3870.0000 -49.23624 -47.90502 1.33122 1.84490 -47.90728 515.69348 3875.0000 -49.03337 -47.81429 1.21909 1.83904 -47.95184 520.72721 3880.0000 -48.90304 -47.59665 1.30639 1.84023 -47.94275 537.91666 3885.0000 -49.70004 -48.13531 1.56473 1.88173 -47.62689 573.53128 3890.0000 -49.60456 -48.43659 1.16796 1.81847 -48.10839 508.91082 3895.0000 -49.75098 -48.61277 1.13821 1.77066 -48.47231 442.11227 3900.0000 -49.46974 -47.98422 1.48552 1.79949 -48.25286 490.37944 3905.0000 -48.79635 -47.30672 1.48963 1.83193 -48.00596 535.03479 3910.0000 -49.46464 -48.13172 1.33292 1.86317 -47.76820 557.28462 3915.0000 -49.50104 -48.14834 1.35269 1.82138 -48.08628 502.05693 3920.0000 -49.10503 -47.85349 1.25154 1.82276 -48.07579 510.23407 3925.0000 -49.64397 -48.12179 1.52218 1.87848 -47.65163 577.28149 3930.0000 -49.05269 -47.75052 1.30217 1.85813 -47.80654 560.28786 3935.0000 -49.39019 -48.40255 0.98765 1.85209 -47.85251 555.79418 3940.0000 -49.26970 -48.13218 1.13752 1.83300 -47.99779 542.56834 3945.0000 -49.19846 -47.89433 1.30413 1.81627 -48.12518 494.36981 3950.0000 -49.82958 -48.32113 1.50845 1.84780 -47.88517 542.68360 3955.0000 -49.99377 -48.16855 1.82522 1.79844 -48.26088 484.05154 3960.0000 -49.49080 -48.05330 1.43751 1.82157 -48.08481 499.57022 3965.0000 -48.88994 -47.24665 1.64329 1.87316 -47.69216 574.92620 3970.0000 -49.59336 -47.90778 1.68558 1.89079 -47.55792 595.44322 3975.0000 -49.01879 -47.55852 1.46027 1.87946 -47.64416 602.28951 3980.0000 -49.59222 -47.53471 2.05751 1.92241 -47.31727 638.19943 3985.0000 -48.47710 -46.86836 1.60874 1.97628 -46.90721 739.31102 3990.0000 -48.65670 -46.64510 2.01160 2.01855 -46.58550 702.88758 3995.0000 -48.90189 -47.11873 1.78315 1.94850 -47.11868 606.71293 4000.0000 -49.46191 -47.12565 2.33626 1.90474 -47.45174 582.73732 FREEZING PROCESS: loop number 17 T-loop= 557.00000000000000 main_MD> interactions number 17 at Temperature= 557.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.30038 -1.24533 1.10562 force_rgl> df(natom) -1.46444 1.63162 -2.40492 4005.0000 -49.11838 -47.69839 1.41999 1.92641 -47.28684 632.05518 4010.0000 -49.40180 -48.12798 1.27382 1.83485 -47.98375 510.62354 4015.0000 -49.59143 -48.28712 1.30431 1.78957 -48.32841 469.21572 4020.0000 -49.51710 -47.90307 1.61403 1.80873 -48.18253 496.16569 4025.0000 -49.62447 -48.03700 1.58748 1.85477 -47.83208 558.90247 4030.0000 -48.65630 -47.58017 1.07613 1.84667 -47.89377 524.68006 4035.0000 -49.57985 -48.11403 1.46581 1.86560 -47.74967 573.48133 4040.0000 -48.53716 -46.88035 1.65681 1.88833 -47.57668 598.55824 4045.0000 -48.81376 -46.83562 1.97814 1.97267 -46.93474 694.14689 4050.0000 -49.42278 -47.95359 1.46919 1.88687 -47.58776 572.99332 4055.0000 -49.76160 -48.22686 1.53474 1.80177 -48.23551 494.48573 4060.0000 -49.74731 -48.42951 1.31780 1.77773 -48.41854 464.16087 4065.0000 -49.43735 -48.21709 1.22026 1.78677 -48.34967 478.99079 4070.0000 -48.93325 -47.97575 0.95750 1.82175 -48.08348 483.49330 4075.0000 -49.86206 -48.53722 1.32484 1.84509 -47.90581 534.78444 4080.0000 -49.24842 -48.04908 1.19933 1.81344 -48.14672 512.75248 4085.0000 -49.28591 -47.60481 1.68111 1.84822 -47.88195 537.50653 4090.0000 -49.27707 -48.04635 1.23073 1.84907 -47.87551 540.07411 4095.0000 -49.59255 -47.69474 1.89782 1.84090 -47.93765 520.68082 4100.0000 -48.69603 -46.89116 1.80487 1.93947 -47.18744 648.11304 4105.0000 -49.70493 -48.22752 1.47740 1.92374 -47.30716 650.03707 4110.0000 -49.73273 -48.46339 1.26934 1.77880 -48.41041 464.42814 4115.0000 -49.36609 -48.23731 1.12878 1.80717 -48.19443 488.89848 4120.0000 -49.72692 -48.45333 1.27359 1.84329 -47.91949 545.45855 4125.0000 -49.37476 -47.70542 1.66933 1.82563 -48.05392 509.99993 4130.0000 -49.32289 -47.59186 1.73103 1.92273 -47.31483 633.80305 4135.0000 -49.57391 -48.19650 1.37741 1.83709 -47.96668 544.12569 4140.0000 -49.66234 -48.26216 1.40018 1.81584 -48.12843 541.35071 4145.0000 -48.56784 -47.48620 1.08164 1.83743 -47.96407 492.03269 4150.0000 -48.99833 -47.30727 1.69106 1.89904 -47.49514 523.43225 4155.0000 -48.39232 -46.97022 1.42210 1.94087 -47.17672 559.84999 4160.0000 -48.44624 -47.19293 1.25331 1.92533 -47.29501 521.99091 4165.0000 -48.53113 -46.61414 1.91699 1.95929 -47.03656 591.68886 4170.0000 -48.77050 -47.20695 1.56356 1.97376 -46.92642 674.31168 4175.0000 -48.57421 -47.62311 0.95109 1.88083 -47.63378 579.46400 4180.0000 -49.59374 -47.97361 1.62013 1.86467 -47.75679 534.23458 4185.0000 -49.20651 -47.56077 1.64574 1.87056 -47.71192 574.81141 4190.0000 -49.78438 -48.26762 1.51675 1.81864 -48.10715 531.22126 4195.0000 -49.54605 -47.81213 1.73392 1.84511 -47.90565 558.05464 4200.0000 -49.30841 -47.08904 2.21937 1.91150 -47.40033 635.14542 4205.0000 -49.03877 -47.08370 1.95507 1.90233 -47.47007 603.35531 4210.0000 -48.61434 -47.30103 1.31331 1.99161 -46.79050 715.25922 4215.0000 -49.05420 -48.03554 1.01866 1.92965 -47.26215 590.94261 4220.0000 -49.49110 -47.95309 1.53801 1.84761 -47.88665 535.05121 4225.0000 -48.99131 -47.51461 1.47670 1.87540 -47.67507 568.14758 4230.0000 -49.48913 -47.87672 1.61241 1.87297 -47.69359 574.96893 4235.0000 -49.59144 -47.99647 1.59497 1.85929 -47.79775 559.43420 4240.0000 -48.74962 -47.71704 1.03258 1.83479 -47.98420 531.08416 4245.0000 -49.23259 -47.59857 1.63402 1.93203 -47.24403 650.24558 4250.0000 -49.06317 -47.24950 1.81367 1.86209 -47.77637 567.10820 FREEZING PROCESS: loop number 18 T-loop= 532.00000000000000 main_MD> interactions number 18 at Temperature= 532.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.44102 0.71337 0.75927 force_rgl> df(natom) 0.37364 2.37712 1.16563 4255.0000 -49.75874 -48.33775 1.42100 1.84068 -47.93939 530.48524 4260.0000 -49.30742 -48.07937 1.22806 1.80791 -48.18879 533.09916 4265.0000 -49.51485 -48.47981 1.03504 1.77358 -48.45013 438.66703 4270.0000 -49.22638 -47.70864 1.51774 1.84494 -47.90691 520.64193 4275.0000 -49.23981 -47.48628 1.75352 1.86404 -47.76157 573.00131 4280.0000 -49.48306 -48.62695 0.85611 1.80795 -48.18846 499.24211 4285.0000 -49.42050 -48.41037 1.01013 1.75572 -48.58603 429.60039 4290.0000 -49.76365 -48.55753 1.20612 1.78891 -48.33345 487.11606 4295.0000 -49.49887 -48.24474 1.25413 1.77506 -48.43881 436.86915 4300.0000 -49.96706 -48.72644 1.24062 1.78471 -48.36541 463.75173 4305.0000 -50.13646 -48.72829 1.40817 1.73070 -48.77647 399.25037 4310.0000 -49.73599 -48.61523 1.12076 1.76182 -48.53959 433.27745 4315.0000 -49.59301 -48.17651 1.41650 1.77536 -48.43653 464.67600 4320.0000 -49.69687 -48.38166 1.31521 1.79786 -48.26530 488.62893 4325.0000 -49.53038 -48.30604 1.22435 1.79922 -48.25495 460.65360 4330.0000 -49.47789 -48.21207 1.26582 1.77933 -48.40638 435.98196 4335.0000 -49.33605 -47.93031 1.40573 1.84574 -47.90085 548.72028 4340.0000 -49.43326 -47.51315 1.92012 1.85176 -47.85504 571.56770 4345.0000 -49.15610 -47.71716 1.43894 1.91175 -47.39844 591.15354 4350.0000 -49.57750 -47.94404 1.63346 1.85633 -47.82021 531.54162 4355.0000 -49.50664 -47.96996 1.53667 1.83027 -48.01862 526.30526 4360.0000 -49.52345 -47.99689 1.52656 1.88938 -47.56865 591.23936 4365.0000 -49.43235 -48.28894 1.14341 1.79386 -48.29572 471.05611 4370.0000 -49.56313 -48.52513 1.03800 1.77359 -48.45000 450.51522 4375.0000 -49.54926 -48.46375 1.08551 1.78032 -48.39883 458.30281 4380.0000 -49.42632 -48.36263 1.06369 1.76352 -48.52664 423.11823 4385.0000 -49.71175 -48.49981 1.21194 1.79629 -48.27726 484.44619 4390.0000 -49.49345 -47.87116 1.62229 1.82939 -48.02529 530.78322 4395.0000 -49.65262 -48.23893 1.41369 1.78706 -48.34754 483.34900 4400.0000 -49.34649 -48.13806 1.20843 1.80297 -48.22643 459.78337 4405.0000 -49.37048 -47.92340 1.44708 1.81750 -48.11584 537.98420 4410.0000 -49.52256 -48.32243 1.20013 1.82203 -48.08134 536.56722 4415.0000 -49.42338 -48.05927 1.36411 1.78888 -48.33366 476.20034 4420.0000 -49.21328 -47.83863 1.37465 1.87266 -47.69595 558.50449 4425.0000 -49.50972 -47.70716 1.80256 1.79926 -48.25464 495.13415 4430.0000 -49.41316 -47.64650 1.76666 1.88106 -47.63199 581.98823 4435.0000 -49.37985 -47.85121 1.52864 1.84798 -47.88383 539.60960 4440.0000 -49.59568 -48.35283 1.24284 1.81419 -48.14100 503.63282 4445.0000 -49.47752 -48.14863 1.32889 1.84299 -47.92182 558.49647 4450.0000 -49.13263 -47.53661 1.59602 1.80773 -48.19016 489.90936 4455.0000 -49.69907 -48.20245 1.49662 1.81173 -48.15971 516.11382 4460.0000 -49.04734 -47.68238 1.36496 1.87091 -47.70930 485.22619 4465.0000 -48.88728 -47.47228 1.41500 1.88067 -47.63497 532.40240 4470.0000 -49.52147 -47.80867 1.71280 1.85712 -47.81422 569.10329 4475.0000 -49.15052 -47.71146 1.43907 1.89574 -47.52030 587.75407 4480.0000 -49.27423 -47.97834 1.29589 1.85430 -47.83572 511.31732 4485.0000 -49.62278 -48.17755 1.44523 1.85067 -47.86333 549.02941 4490.0000 -49.37927 -48.24308 1.13619 1.76584 -48.50899 421.98071 4495.0000 -49.28544 -47.99862 1.28682 1.80783 -48.18939 467.52164 4500.0000 -49.15008 -47.65631 1.49376 1.84355 -47.91749 500.17452 FREEZING PROCESS: loop number 19 T-loop= 507.00000000000000 main_MD> interactions number 19 at Temperature= 507.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.94821 -0.21568 -2.80278 force_rgl> df(natom) 0.78173 -1.76517 1.98111 4505.0000 -49.59216 -48.25784 1.33432 1.83639 -47.97204 533.37144 4510.0000 -49.80979 -48.32573 1.48406 1.80092 -48.24201 502.15226 4515.0000 -49.56655 -47.86592 1.70062 1.81409 -48.14174 502.43691 4520.0000 -49.53055 -48.51843 1.01212 1.81947 -48.10082 497.34379 4525.0000 -49.81540 -48.69865 1.11675 1.73945 -48.70990 415.17932 4530.0000 -49.49726 -48.21012 1.28713 1.77450 -48.44314 453.37239 4535.0000 -49.66530 -48.01316 1.65214 1.83260 -48.00087 529.61285 4540.0000 -49.47976 -48.14293 1.33683 1.86554 -47.75011 574.48099 4545.0000 -49.13044 -48.06018 1.07026 1.78540 -48.36011 448.93847 4550.0000 -49.16267 -47.83989 1.32279 1.82807 -48.03533 518.19604 4555.0000 -49.54876 -48.27292 1.27584 1.82423 -48.06460 504.05489 4560.0000 -49.49328 -48.32213 1.17114 1.77680 -48.42560 442.32282 4565.0000 -49.74856 -47.84380 1.90476 1.82930 -48.02598 517.37509 4570.0000 -49.43503 -47.34400 2.09102 1.92521 -47.29595 648.44061 4575.0000 -49.39826 -47.65470 1.74356 1.92644 -47.28656 628.51366 4580.0000 -49.73198 -48.57597 1.15601 1.86702 -47.73889 556.20346 4585.0000 -49.16977 -48.04204 1.12773 1.80698 -48.19585 512.31769 4590.0000 -49.33507 -48.34954 0.98552 1.84353 -47.91764 556.48164 4595.0000 -49.36277 -48.04738 1.31539 1.78698 -48.34812 473.88880 4600.0000 -49.42833 -48.15279 1.27554 1.78501 -48.36309 467.37888 4605.0000 -49.95065 -48.41125 1.53941 1.83806 -47.95928 546.99784 4610.0000 -49.63348 -48.72696 0.90653 1.79661 -48.27481 490.31588 4615.0000 -49.66906 -48.48239 1.18667 1.76032 -48.55107 413.02593 4620.0000 -49.66890 -48.22694 1.44195 1.79105 -48.31712 477.93166 4625.0000 -49.73537 -48.45708 1.27829 1.77833 -48.41394 470.96467 4630.0000 -49.22645 -47.93971 1.28674 1.79092 -48.31811 489.77854 4635.0000 -49.36054 -47.76818 1.59236 1.84913 -47.87505 534.58284 4640.0000 -48.88851 -47.91255 0.97595 1.90615 -47.44101 650.16175 4645.0000 -49.86621 -48.95858 0.90763 1.78787 -48.34133 476.93533 4650.0000 -49.79139 -48.64155 1.14984 1.74030 -48.70342 401.08236 4655.0000 -48.95162 -48.00723 0.94439 1.80611 -48.20248 468.07117 4660.0000 -48.96817 -47.94701 1.02117 1.81001 -48.17278 487.65061 4665.0000 -49.66096 -48.47725 1.18371 1.82214 -48.08046 499.62109 4670.0000 -49.83163 -48.26607 1.56556 1.76441 -48.51987 452.23320 4675.0000 -49.49799 -48.06928 1.42871 1.78569 -48.35795 482.68398 4680.0000 -49.39296 -47.82063 1.57233 1.85382 -47.83935 554.08908 4685.0000 -49.50526 -48.30120 1.20406 1.83903 -47.95191 553.96883 4690.0000 -49.64184 -48.21761 1.42423 1.83568 -47.97741 513.58707 4695.0000 -49.34504 -48.39251 0.95253 1.81655 -48.12302 496.49158 4700.0000 -49.12186 -47.73779 1.38407 1.79737 -48.26899 486.33027 4705.0000 -48.97224 -47.73155 1.24069 1.87743 -47.65966 545.97276 4710.0000 -49.25899 -47.96693 1.29207 1.83755 -47.96322 530.59454 4715.0000 -49.29589 -47.75917 1.53673 1.82708 -48.04287 511.51672 4720.0000 -49.73362 -48.03616 1.69746 1.83650 -47.97115 549.71712 4725.0000 -49.63774 -48.26403 1.37371 1.77987 -48.40226 479.21322 4730.0000 -50.02787 -49.05173 0.97613 1.73927 -48.71123 416.32768 4735.0000 -49.44897 -48.24636 1.20261 1.76276 -48.53245 457.86054 4740.0000 -49.99022 -48.95196 1.03826 1.76420 -48.52152 455.05424 4745.0000 -50.11947 -48.43376 1.68571 1.78738 -48.34508 479.35065 4750.0000 -50.03260 -49.03042 1.00218 1.79781 -48.26564 481.26458 FREEZING PROCESS: loop number 20 T-loop= 482.00000000000000 main_MD> interactions number 20 at Temperature= 482.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.85080 -0.74094 -0.38415 force_rgl> df(natom) -1.29330 -1.75907 -0.97524 4755.0000 -49.64087 -48.41289 1.22798 1.76543 -48.51211 421.91889 4760.0000 -49.22628 -48.03651 1.18977 1.79027 -48.32309 446.37426 4765.0000 -50.12836 -48.48008 1.64828 1.78614 -48.35450 472.59157 4770.0000 -49.53040 -48.20672 1.32368 1.78562 -48.35843 472.73717 4775.0000 -49.39803 -48.14751 1.25052 1.81979 -48.09839 507.43316 4780.0000 -49.90353 -48.66744 1.23609 1.77320 -48.45298 460.79416 4785.0000 -49.84270 -48.73491 1.10779 1.75061 -48.62495 441.08804 4790.0000 -49.69808 -48.59314 1.10494 1.72303 -48.83485 402.85787 4795.0000 -49.31455 -48.12582 1.18873 1.78034 -48.39869 476.68590 4800.0000 -49.72461 -48.31888 1.40573 1.82945 -48.02481 508.89313 4805.0000 -49.71800 -48.20835 1.50965 1.75344 -48.60343 404.20131 4810.0000 -49.58329 -48.11268 1.47061 1.78383 -48.37210 466.17431 4815.0000 -49.78472 -48.14490 1.63982 1.78115 -48.39249 452.97298 4820.0000 -49.65554 -48.21967 1.43587 1.83245 -48.00205 534.55738 4825.0000 -49.26769 -47.86807 1.39961 1.81688 -48.12049 475.28215 4830.0000 -49.27106 -48.04395 1.22711 1.81057 -48.16856 526.97311 4835.0000 -49.27632 -47.98990 1.28642 1.81526 -48.13287 507.38998 4840.0000 -49.93171 -47.87047 2.06124 1.85242 -47.85001 550.73714 4845.0000 -49.64098 -48.34132 1.29967 1.83268 -48.00027 544.15145 4850.0000 -49.39310 -48.09485 1.29825 1.79068 -48.31998 476.12983 4855.0000 -50.00020 -48.60914 1.39106 1.81464 -48.13757 526.79034 4860.0000 -49.88602 -48.74940 1.13662 1.72172 -48.84486 394.64525 4865.0000 -49.55550 -48.74109 0.81441 1.75618 -48.58252 438.02024 4870.0000 -49.59121 -48.59284 0.99838 1.73958 -48.70887 410.65015 4875.0000 -49.30387 -47.84162 1.46225 1.79367 -48.29717 458.99699 4880.0000 -48.96217 -47.50743 1.45473 1.84927 -47.87401 571.42157 4885.0000 -49.43087 -48.33307 1.09781 1.84523 -47.90473 541.24981 4890.0000 -49.81624 -48.45504 1.36120 1.78550 -48.35937 463.90416 4895.0000 -49.56239 -48.25820 1.30419 1.78980 -48.32662 479.70400 4900.0000 -49.47705 -48.15950 1.31756 1.78382 -48.37219 475.72252 4905.0000 -49.58949 -48.09826 1.49123 1.81724 -48.11782 526.51373 4910.0000 -49.41065 -48.11444 1.29621 1.80299 -48.22627 469.02841 4915.0000 -49.33345 -47.92499 1.40846 1.85413 -47.83697 531.83161 4920.0000 -49.38141 -47.73961 1.64181 1.84895 -47.87645 556.01135 4925.0000 -49.77346 -47.89223 1.88123 1.84853 -47.87960 505.11076 4930.0000 -49.59961 -48.07006 1.52955 1.84277 -47.92349 549.12346 4935.0000 -49.61244 -48.34082 1.27163 1.84299 -47.92182 527.56056 4940.0000 -49.94611 -48.70380 1.24231 1.77303 -48.45431 466.57406 4945.0000 -49.56184 -48.24022 1.32162 1.76414 -48.52195 436.77134 4950.0000 -49.97570 -48.30318 1.67252 1.80015 -48.24784 498.12518 4955.0000 -49.53596 -48.28886 1.24710 1.82272 -48.07604 514.29811 4960.0000 -49.84739 -48.73790 1.10949 1.78936 -48.33000 476.45900 4965.0000 -49.34561 -48.10266 1.24295 1.79796 -48.26454 467.16939 4970.0000 -49.22357 -47.59178 1.63179 1.86285 -47.77058 564.22608 4975.0000 -49.20492 -47.56058 1.64433 1.85488 -47.83128 546.25863 4980.0000 -49.55141 -47.66313 1.88828 1.88472 -47.60411 562.60349 4985.0000 -48.93141 -47.75177 1.17964 1.90919 -47.41792 609.90923 4990.0000 -49.46746 -48.18776 1.27970 1.85330 -47.84333 538.63376 4995.0000 -50.14994 -49.10499 1.04495 1.75953 -48.55701 425.52888 5000.0000 -49.92139 -48.62074 1.30064 1.75080 -48.62349 441.68905 FREEZING PROCESS: loop number 21 T-loop= 457.00000000000000 main_MD> interactions number 21 at Temperature= 457.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.15656 1.47152 -1.24346 force_rgl> df(natom) -2.85918 0.53740 0.24297 5005.0000 -49.65882 -48.59936 1.05945 1.74640 -48.65700 426.17526 5010.0000 -50.06778 -48.83318 1.23459 1.76411 -48.52222 444.80829 5015.0000 -49.99644 -48.55717 1.43926 1.75335 -48.60412 428.39282 5020.0000 -49.66527 -48.33288 1.33239 1.75165 -48.61699 436.10829 5025.0000 -49.57935 -48.21678 1.36257 1.77802 -48.41633 462.69729 5030.0000 -49.71062 -48.09155 1.61907 1.79803 -48.26402 477.32717 5035.0000 -49.52194 -48.35239 1.16955 1.80940 -48.17742 505.97831 5040.0000 -49.85045 -48.88264 0.96780 1.78207 -48.38548 449.59915 5045.0000 -49.87596 -48.84180 1.03416 1.72629 -48.81009 401.82197 5050.0000 -49.92038 -48.80362 1.11676 1.74040 -48.70268 406.04478 5055.0000 -49.55238 -48.51597 1.03641 1.74846 -48.64129 402.47847 5060.0000 -49.69439 -48.45968 1.23471 1.75142 -48.61877 413.45459 5065.0000 -49.83088 -48.59821 1.23267 1.76644 -48.50448 441.57240 5070.0000 -49.93429 -48.76949 1.16480 1.75117 -48.62069 430.50471 5075.0000 -49.76178 -48.77234 0.98944 1.75508 -48.59095 423.38301 5080.0000 -50.03503 -48.97655 1.05848 1.68295 -49.13992 327.83139 5085.0000 -49.81504 -48.56673 1.24831 1.73385 -48.75256 409.95461 5090.0000 -49.84275 -48.29235 1.55040 1.81522 -48.13319 525.59870 5095.0000 -49.47783 -48.00889 1.46894 1.79617 -48.27820 477.46066 5100.0000 -49.48926 -48.37432 1.11494 1.82502 -48.05858 507.76647 5105.0000 -49.57486 -48.54004 1.03482 1.80075 -48.24328 468.55187 5110.0000 -49.41475 -48.33650 1.07825 1.74886 -48.63824 405.62138 5115.0000 -49.60684 -48.25076 1.35608 1.77244 -48.45877 441.80195 5120.0000 -49.59490 -48.14935 1.44555 1.79303 -48.30207 466.57596 5125.0000 -49.33454 -48.13261 1.20193 1.79210 -48.30913 467.93818 5130.0000 -49.39872 -48.23400 1.16472 1.84293 -47.92221 523.58274 5135.0000 -49.72127 -48.45691 1.26436 1.79050 -48.32134 475.92259 5140.0000 -49.61999 -48.59701 1.02298 1.73202 -48.76644 411.84885 5145.0000 -49.94544 -48.42122 1.52422 1.79850 -48.26043 487.44794 5150.0000 -49.81019 -48.85668 0.95351 1.75150 -48.61816 427.36198 5155.0000 -49.80151 -48.70342 1.09809 1.75019 -48.62818 425.49185 5160.0000 -49.33702 -47.98695 1.35006 1.79520 -48.28554 480.67022 5165.0000 -49.54752 -48.30112 1.24641 1.80676 -48.19753 490.27998 5170.0000 -49.63084 -48.60445 1.02639 1.79204 -48.30960 468.38177 5175.0000 -49.79731 -48.63982 1.15749 1.76215 -48.53710 449.87776 5180.0000 -49.45065 -48.20525 1.24540 1.77390 -48.44771 452.25289 5185.0000 -49.73168 -48.90898 0.82270 1.77262 -48.45740 452.71158 5190.0000 -49.61173 -48.34805 1.26368 1.77158 -48.46535 457.62642 5195.0000 -49.71927 -48.70035 1.01892 1.74321 -48.68127 412.77717 5200.0000 -49.18179 -47.70658 1.47522 1.80895 -48.18088 500.43461 5205.0000 -49.63759 -48.20986 1.42773 1.83447 -47.98662 529.70990 5210.0000 -49.75859 -48.43923 1.31935 1.79305 -48.30188 480.13363 5215.0000 -49.60435 -48.38069 1.22366 1.78663 -48.35079 477.77150 5220.0000 -49.76631 -48.76141 1.00490 1.77633 -48.42917 465.22918 5225.0000 -49.96026 -48.86053 1.09973 1.72818 -48.79566 402.72578 5230.0000 -49.35897 -48.13860 1.22038 1.76721 -48.49856 435.84512 5235.0000 -50.02378 -48.88711 1.13667 1.74224 -48.68863 408.81462 5240.0000 -49.62404 -48.76039 0.86364 1.74167 -48.69300 401.40265 5245.0000 -49.87290 -48.96195 0.91095 1.72864 -48.79214 396.21993 5250.0000 -49.54135 -48.42252 1.11883 1.74971 -48.63181 416.70404 FREEZING PROCESS: loop number 22 T-loop= 432.00000000000000 main_MD> interactions number 22 at Temperature= 432.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.48162 -2.17469 -1.02823 force_rgl> df(natom) 0.72640 0.54964 1.23514 5255.0000 -50.02417 -48.88485 1.13932 1.77135 -48.46707 453.52204 5260.0000 -49.71845 -48.50691 1.21154 1.71345 -48.90782 361.65123 5265.0000 -49.43862 -48.11471 1.32391 1.79660 -48.27488 484.95268 5270.0000 -49.64252 -48.78817 0.85434 1.76900 -48.48498 456.63299 5275.0000 -49.91235 -48.74124 1.17111 1.73541 -48.74065 401.12729 5280.0000 -49.76537 -48.78711 0.97825 1.74879 -48.63882 423.83762 5285.0000 -49.70288 -48.63422 1.06866 1.72353 -48.83105 374.67026 5290.0000 -50.20049 -48.70242 1.49806 1.73514 -48.74270 415.47272 5295.0000 -49.76893 -48.54288 1.22606 1.76962 -48.48025 452.61568 5300.0000 -49.67865 -48.45082 1.22784 1.76099 -48.54592 424.99065 5305.0000 -49.95872 -48.65334 1.30537 1.76298 -48.53076 442.53156 5310.0000 -50.03469 -48.98929 1.04539 1.72281 -48.83656 393.95040 5315.0000 -50.09241 -48.91028 1.18213 1.71255 -48.91465 384.49705 5320.0000 -49.68684 -48.84938 0.83746 1.71785 -48.87430 383.56377 5325.0000 -50.07877 -49.11111 0.96767 1.71797 -48.87339 392.05116 5330.0000 -50.00035 -48.61490 1.38544 1.73284 -48.76022 390.32711 5335.0000 -49.73059 -48.59213 1.13846 1.76023 -48.55171 426.06534 5340.0000 -50.04079 -49.03701 1.00377 1.73193 -48.76712 403.22471 5345.0000 -50.10286 -48.88590 1.21696 1.73334 -48.75637 399.74593 5350.0000 -49.67069 -48.56255 1.10814 1.73375 -48.75326 391.36495 5355.0000 -49.68990 -48.26268 1.42722 1.77875 -48.41074 462.70687 5360.0000 -49.60509 -47.89067 1.71441 1.77610 -48.43094 447.14144 5365.0000 -49.78993 -48.50868 1.28125 1.79951 -48.25274 469.71246 5370.0000 -49.78061 -48.51827 1.26234 1.76823 -48.49084 447.22197 5375.0000 -50.05511 -48.97198 1.08313 1.72024 -48.85609 385.54236 5380.0000 -50.14824 -48.97546 1.17278 1.69564 -49.04337 358.54974 5385.0000 -50.03846 -49.28504 0.75342 1.68981 -49.08772 340.31440 5390.0000 -49.71017 -48.65247 1.05770 1.73194 -48.76702 393.32725 5395.0000 -49.65094 -48.33195 1.31899 1.78830 -48.33807 475.10387 5400.0000 -49.81977 -48.52920 1.29056 1.74037 -48.70290 395.36547 5405.0000 -49.60001 -48.29469 1.30531 1.77311 -48.45371 461.87891 5410.0000 -49.79543 -49.04121 0.75422 1.73474 -48.74575 405.27906 5415.0000 -49.74144 -48.59790 1.14355 1.70593 -48.96503 357.48517 5420.0000 -50.11745 -48.98352 1.13393 1.75427 -48.59707 444.56638 5425.0000 -49.66710 -48.36012 1.30698 1.76000 -48.55344 419.35546 5430.0000 -49.73247 -48.66541 1.06707 1.75732 -48.57389 439.70235 5435.0000 -49.84808 -48.48807 1.36001 1.76156 -48.54163 445.29877 5440.0000 -49.82581 -48.45201 1.37379 1.77385 -48.44806 439.71308 5445.0000 -49.51447 -48.16489 1.34957 1.77326 -48.45254 446.18964 5450.0000 -49.32462 -48.24386 1.08076 1.80182 -48.23512 488.51718 5455.0000 -49.54522 -48.28530 1.25993 1.80288 -48.22709 498.51236 5460.0000 -49.20591 -47.87142 1.33449 1.82732 -48.04104 495.95282 5465.0000 -49.32150 -47.91933 1.40217 1.83552 -47.97862 512.09783 5470.0000 -49.30495 -48.03522 1.26973 1.82082 -48.09052 516.46432 5475.0000 -49.57208 -48.27644 1.29565 1.79309 -48.30162 508.89783 5480.0000 -49.60048 -48.63091 0.96957 1.75053 -48.62555 437.63613 5485.0000 -49.80386 -48.88277 0.92109 1.75557 -48.58721 420.36919 5490.0000 -49.76916 -48.54097 1.22819 1.72690 -48.80545 392.65865 5495.0000 -49.73235 -48.51279 1.21956 1.77396 -48.44721 454.31004 5500.0000 -49.94410 -48.78958 1.15452 1.73765 -48.72358 415.85081 FREEZING PROCESS: loop number 23 T-loop= 407.00000000000000 main_MD> interactions number 23 at Temperature= 407.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.73180 0.04416 0.32640 force_rgl> df(natom) 1.65821 0.17965 0.13288 5505.0000 -49.53886 -48.61580 0.92306 1.76120 -48.54437 447.22900 5510.0000 -49.90284 -48.72478 1.17806 1.73795 -48.72128 427.18269 5515.0000 -49.71084 -48.77854 0.93230 1.76577 -48.50954 442.03869 5520.0000 -50.12480 -48.94793 1.17686 1.70557 -48.96778 364.42173 5525.0000 -49.94412 -48.55634 1.38777 1.71963 -48.86077 395.00084 5530.0000 -50.17557 -49.07482 1.10074 1.75425 -48.59726 424.93103 5535.0000 -49.48509 -48.31653 1.16856 1.73524 -48.74190 396.78562 5540.0000 -49.33368 -48.50164 0.83203 1.79657 -48.27515 478.20166 5545.0000 -49.27985 -48.33563 0.94422 1.75657 -48.57957 435.25394 5550.0000 -49.91906 -48.79388 1.12518 1.74424 -48.67347 410.93694 5555.0000 -49.94807 -48.49545 1.45262 1.74212 -48.68956 423.87304 5560.0000 -49.88295 -48.25880 1.62415 1.77272 -48.45662 432.30024 5565.0000 -49.39740 -47.97406 1.42334 1.82771 -48.03808 523.12410 5570.0000 -49.65013 -48.35413 1.29600 1.81648 -48.12356 479.27912 5575.0000 -49.81459 -48.85422 0.96037 1.73116 -48.77303 381.68256 5580.0000 -49.49449 -48.40778 1.08671 1.73416 -48.75018 414.07325 5585.0000 -49.66877 -48.57353 1.09524 1.75698 -48.57648 418.41179 5590.0000 -49.73309 -48.70175 1.03134 1.74085 -48.69926 388.60786 5595.0000 -49.44747 -48.67425 0.77322 1.76252 -48.53429 432.23230 5600.0000 -50.05832 -49.16938 0.88895 1.70712 -48.95596 374.02764 5605.0000 -50.03039 -49.40123 0.62916 1.67859 -49.17318 341.55100 5610.0000 -50.21201 -49.13546 1.07654 1.65711 -49.33661 299.10657 5615.0000 -50.08441 -49.17790 0.90652 1.68338 -49.13665 336.96089 5620.0000 -49.85126 -48.64722 1.20404 1.70303 -48.98712 334.31111 5625.0000 -49.91724 -48.72748 1.18976 1.73868 -48.71574 409.88582 5630.0000 -49.77708 -48.92116 0.85592 1.73757 -48.72421 388.57840 5635.0000 -49.95825 -49.02802 0.93023 1.70137 -48.99977 345.41334 5640.0000 -50.06248 -48.91492 1.14757 1.71891 -48.86621 390.96126 5645.0000 -49.89535 -48.93209 0.96326 1.69508 -49.04766 341.07165 5650.0000 -50.10459 -48.93309 1.17150 1.71356 -48.90697 376.74231 5655.0000 -49.90444 -48.83285 1.07159 1.71558 -48.89160 383.77441 5660.0000 -50.15163 -48.86383 1.28780 1.70809 -48.94857 365.29386 5665.0000 -49.81839 -48.75441 1.06398 1.73127 -48.77214 411.57502 5670.0000 -49.86123 -48.55401 1.30723 1.75970 -48.55572 433.22733 5675.0000 -50.13786 -49.13253 1.00533 1.75651 -48.58002 440.57886 5680.0000 -49.99088 -48.82915 1.16172 1.71090 -48.92720 376.33478 5685.0000 -50.12118 -49.21214 0.90904 1.72082 -48.85169 361.32293 5690.0000 -49.81010 -48.63553 1.17457 1.68219 -49.14576 323.65366 5695.0000 -49.96242 -48.82351 1.13891 1.71910 -48.86482 364.44753 5700.0000 -49.84764 -48.25760 1.59004 1.72758 -48.80027 384.42602 5705.0000 -49.92956 -49.16325 0.76631 1.72846 -48.79355 400.08395 5710.0000 -50.04581 -49.02639 1.01942 1.69286 -49.06451 362.21216 5715.0000 -49.90625 -48.91089 0.99537 1.71051 -48.93016 363.61268 5720.0000 -49.68485 -48.52273 1.16212 1.76196 -48.53852 430.58475 5725.0000 -49.65554 -48.31732 1.33822 1.78571 -48.35776 494.17820 5730.0000 -49.81171 -48.40771 1.40400 1.78566 -48.35816 456.29561 5735.0000 -49.99376 -48.68680 1.30696 1.75503 -48.59134 426.16234 5740.0000 -49.84954 -48.97136 0.87818 1.75721 -48.57468 425.65739 5745.0000 -50.13915 -49.18590 0.95324 1.68733 -49.10660 347.20145 5750.0000 -50.03819 -48.61391 1.42428 1.72197 -48.84297 391.17878 FREEZING PROCESS: loop number 24 T-loop= 382.00000000000000 main_MD> interactions number 24 at Temperature= 382.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.52331 -0.17185 0.31362 force_rgl> df(natom) 1.58823 1.19394 0.81926 5755.0000 -50.01421 -49.02913 0.98508 1.68955 -49.08972 357.79482 5760.0000 -49.51378 -48.43584 1.07793 1.70757 -48.95258 358.39126 5765.0000 -50.07565 -48.75921 1.31643 1.76133 -48.54336 422.77818 5770.0000 -50.32576 -49.09659 1.22917 1.70477 -48.97383 366.77363 5775.0000 -49.70197 -48.59497 1.10700 1.70749 -48.95315 377.60426 5780.0000 -49.91050 -49.04424 0.86626 1.72185 -48.84386 378.70511 5785.0000 -49.75351 -48.98569 0.76782 1.71963 -48.86077 382.95957 5790.0000 -50.08678 -49.15204 0.93474 1.69275 -49.06538 343.27566 5795.0000 -49.81178 -48.51374 1.29804 1.71303 -48.91099 382.85154 5800.0000 -49.96915 -48.92649 1.04266 1.70588 -48.96542 359.86443 5805.0000 -49.96473 -49.14740 0.81733 1.70768 -48.95174 371.04230 5810.0000 -50.11507 -48.80884 1.30623 1.67965 -49.16508 336.83868 5815.0000 -49.93156 -48.72731 1.20425 1.73150 -48.77042 390.00065 5820.0000 -49.90555 -48.89240 1.01316 1.69007 -49.08572 334.56670 5825.0000 -50.03315 -49.08575 0.94740 1.67350 -49.21187 330.19616 5830.0000 -50.13600 -49.17882 0.95718 1.70991 -48.93471 380.32935 5835.0000 -50.29921 -49.47765 0.82156 1.66802 -49.25362 311.60855 5840.0000 -49.81550 -48.66793 1.14757 1.68274 -49.14152 333.04467 5845.0000 -49.76809 -48.99898 0.76911 1.73749 -48.72478 414.59373 5850.0000 -49.59060 -48.59839 0.99221 1.73730 -48.72629 399.74424 5855.0000 -50.09054 -48.78572 1.30482 1.74176 -48.69229 401.02758 5860.0000 -49.48022 -48.32025 1.15996 1.75721 -48.57470 434.64610 5865.0000 -49.36413 -48.52791 0.83622 1.79065 -48.32021 474.78176 5870.0000 -50.13028 -49.08155 1.04873 1.71474 -48.89800 363.71387 5875.0000 -50.02965 -49.06258 0.96708 1.69425 -49.05395 360.56008 5880.0000 -49.39972 -48.43604 0.96368 1.69976 -49.01198 359.64107 5885.0000 -49.93730 -49.00769 0.92961 1.72694 -48.80514 388.68536 5890.0000 -49.90950 -48.73564 1.17386 1.72685 -48.80580 400.54139 5895.0000 -50.35424 -49.64286 0.71138 1.69971 -49.01241 379.08066 5900.0000 -50.21523 -49.38182 0.83341 1.64731 -49.41127 294.42105 5905.0000 -50.07194 -49.14950 0.92244 1.67655 -49.18868 323.74481 5910.0000 -49.95789 -49.04612 0.91178 1.70974 -48.93604 362.88587 5915.0000 -49.93259 -48.93338 0.99921 1.71719 -48.87932 380.37066 5920.0000 -49.99389 -48.90408 1.08981 1.70953 -48.93765 369.33428 5925.0000 -50.18119 -49.36657 0.81462 1.68923 -49.09214 349.09328 5930.0000 -50.14704 -49.30480 0.84224 1.67192 -49.22392 330.80309 5935.0000 -49.84545 -48.69946 1.14599 1.69366 -49.05846 353.85155 5940.0000 -49.89847 -48.87461 1.02385 1.74832 -48.64238 445.83402 5945.0000 -50.09902 -48.96747 1.13156 1.72187 -48.84369 402.48082 5950.0000 -49.64199 -48.63930 1.00269 1.72597 -48.81251 421.90469 5955.0000 -49.96463 -48.71966 1.24497 1.71994 -48.85842 385.74016 5960.0000 -49.81070 -49.00687 0.80384 1.69794 -49.02584 358.61856 5965.0000 -50.04119 -49.10987 0.93132 1.70947 -48.93811 360.92064 5970.0000 -50.20780 -49.09625 1.11155 1.70783 -48.95056 374.84724 5975.0000 -50.12582 -48.60966 1.51616 1.72092 -48.85092 400.16501 5980.0000 -49.50861 -48.52940 0.97921 1.75399 -48.59920 445.74004 5985.0000 -49.58185 -48.32860 1.25325 1.76839 -48.48962 442.64956 5990.0000 -50.02510 -48.72482 1.30027 1.73893 -48.71389 420.60393 5995.0000 -49.93320 -48.76012 1.17308 1.71486 -48.89707 384.11008 6000.0000 -49.63151 -48.56245 1.06906 1.75105 -48.62163 434.63384 FREEZING PROCESS: loop number 25 T-loop= 357.00000000000000 main_MD> interactions number 25 at Temperature= 357.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.54121 0.44214 -1.68145 force_rgl> df(natom) 1.61362 -0.30397 -2.06378 6005.0000 -49.54079 -48.84083 0.69996 1.76270 -48.53289 436.31610 6010.0000 -50.05527 -49.37372 0.68155 1.69476 -49.05002 352.05013 6015.0000 -50.01306 -49.10561 0.90745 1.66820 -49.25223 317.50407 6020.0000 -50.00159 -49.04851 0.95308 1.67501 -49.20036 320.16591 6025.0000 -50.28517 -49.07787 1.20730 1.69796 -49.02570 361.35445 6030.0000 -50.17831 -48.96680 1.21151 1.70699 -48.95699 369.04262 6035.0000 -50.27188 -49.54457 0.72731 1.67651 -49.18901 320.60001 6040.0000 -49.99098 -49.12389 0.86709 1.67995 -49.16276 327.66500 6045.0000 -50.01022 -49.10860 0.90162 1.71300 -48.91125 386.42677 6050.0000 -50.12418 -49.10064 1.02355 1.67935 -49.16734 323.88057 6055.0000 -49.93755 -49.29389 0.64366 1.69569 -49.04297 349.55012 6060.0000 -49.81216 -48.64640 1.16576 1.70994 -48.93455 368.62556 6065.0000 -50.00233 -48.82176 1.18057 1.75993 -48.55402 438.82974 6070.0000 -50.04991 -48.97607 1.07384 1.72240 -48.83964 383.77235 6075.0000 -50.01030 -49.16666 0.84364 1.69534 -49.04564 348.87826 6080.0000 -49.96854 -48.83716 1.13139 1.69692 -49.03359 346.56193 6085.0000 -49.97148 -49.24110 0.73039 1.72304 -48.83483 388.23643 6090.0000 -49.91970 -48.82207 1.09763 1.70263 -48.99019 372.09455 6095.0000 -50.09130 -48.66711 1.42419 1.72637 -48.80948 379.65102 6100.0000 -50.13200 -49.22740 0.90460 1.69317 -49.06212 364.58795 6105.0000 -49.86607 -49.03430 0.83177 1.69087 -49.07964 335.07364 6110.0000 -50.02470 -48.90924 1.11546 1.70363 -48.98254 358.99669 6115.0000 -50.14792 -48.93467 1.21325 1.71632 -48.88591 368.02727 6120.0000 -50.36898 -49.31783 1.05115 1.69898 -49.01793 347.18419 6125.0000 -49.98563 -49.01602 0.96961 1.67199 -49.22340 325.43654 6130.0000 -50.09389 -49.22530 0.86860 1.65843 -49.32659 297.60773 6135.0000 -50.05907 -49.07757 0.98150 1.65672 -49.33959 307.67787 6140.0000 -49.99072 -49.15866 0.83206 1.68406 -49.13149 332.18108 6145.0000 -49.95075 -49.11382 0.83693 1.66808 -49.25317 288.52684 6150.0000 -50.13929 -49.19856 0.94074 1.68644 -49.11338 344.06167 6155.0000 -50.06283 -49.31496 0.74787 1.67340 -49.21266 343.21337 6160.0000 -49.92552 -48.82750 1.09802 1.69896 -49.01810 354.21860 6165.0000 -50.01377 -49.19807 0.81570 1.69709 -49.03234 357.04180 6170.0000 -50.00269 -49.11162 0.89107 1.67579 -49.19443 327.01434 6175.0000 -50.03394 -48.99122 1.04273 1.68473 -49.12637 344.44145 6180.0000 -49.88416 -48.96363 0.92053 1.68431 -49.12964 347.12976 6185.0000 -50.30332 -48.95783 1.34549 1.69894 -49.01823 377.05639 6190.0000 -50.03556 -49.06227 0.97329 1.70591 -48.96518 366.44845 6195.0000 -49.99720 -49.23953 0.75767 1.69271 -49.06570 343.63510 6200.0000 -50.06531 -49.06504 1.00027 1.68741 -49.10599 348.01530 6205.0000 -50.03708 -49.02570 1.01138 1.68713 -49.10817 330.99462 6210.0000 -50.27224 -49.33156 0.94069 1.67291 -49.21636 322.91377 6215.0000 -49.99166 -49.35117 0.64050 1.67253 -49.21925 310.63445 6220.0000 -50.19129 -49.26256 0.92873 1.67968 -49.16485 346.79995 6225.0000 -50.17401 -49.26120 0.91281 1.69267 -49.06597 348.37764 6230.0000 -49.80241 -48.82703 0.97539 1.66915 -49.24499 318.78498 6235.0000 -49.86495 -49.08818 0.77677 1.68632 -49.11428 336.23556 6240.0000 -50.08526 -49.11678 0.96849 1.69704 -49.03272 348.44658 6245.0000 -50.12235 -49.15314 0.96922 1.69565 -49.04332 350.51008 6250.0000 -50.00390 -49.16763 0.83627 1.68506 -49.12393 326.77818 FREEZING PROCESS: loop number 26 T-loop= 332.00000000000000 main_MD> interactions number 26 at Temperature= 332.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.44769 -0.50598 1.47407 force_rgl> df(natom) -0.16688 -0.31868 -1.53936 6255.0000 -49.99201 -49.17333 0.81868 1.68783 -49.10277 328.01221 6260.0000 -50.04061 -49.33833 0.70228 1.66066 -49.30965 305.07999 6265.0000 -50.05179 -48.91264 1.13915 1.68067 -49.15730 332.08561 6270.0000 -50.08335 -49.10639 0.97696 1.68505 -49.12400 345.23475 6275.0000 -49.86770 -49.13675 0.73096 1.67313 -49.21470 328.33396 6280.0000 -49.99183 -49.18258 0.80925 1.68538 -49.12146 339.21091 6285.0000 -50.03311 -49.17394 0.85917 1.69093 -49.07923 339.60690 6290.0000 -50.03643 -49.21799 0.81844 1.70117 -49.00123 353.40130 6295.0000 -50.10479 -49.12605 0.97874 1.68024 -49.16060 326.73764 6300.0000 -50.15594 -49.16668 0.98926 1.69004 -49.08599 344.00003 6305.0000 -50.18441 -49.39197 0.79244 1.67090 -49.23166 319.52679 6310.0000 -50.24559 -49.54913 0.69647 1.64535 -49.42616 286.72395 6315.0000 -50.11939 -49.17172 0.94767 1.67692 -49.18588 333.17196 6320.0000 -50.04581 -49.21527 0.83054 1.66421 -49.28257 312.59849 6325.0000 -50.12841 -49.38338 0.74503 1.67289 -49.21656 305.01551 6330.0000 -49.85633 -48.72020 1.13613 1.68132 -49.15238 328.07172 6335.0000 -50.10610 -49.01357 1.09253 1.71887 -48.86656 389.19301 6340.0000 -50.12190 -49.14696 0.97494 1.67225 -49.22137 324.85048 6345.0000 -49.74971 -49.02679 0.72292 1.69090 -49.07941 338.55907 6350.0000 -50.24521 -49.06130 1.18392 1.70234 -48.99234 360.61183 6355.0000 -49.96063 -49.01371 0.94693 1.66747 -49.25780 320.49799 6360.0000 -49.98926 -49.03808 0.95117 1.71459 -48.89910 380.22950 6365.0000 -49.97287 -48.90250 1.07037 1.71481 -48.89743 374.58432 6370.0000 -49.89941 -49.04195 0.85746 1.72550 -48.81605 371.66577 6375.0000 -49.92085 -48.86448 1.05637 1.69487 -49.04923 329.03609 6380.0000 -50.42743 -49.48084 0.94659 1.67498 -49.20064 308.49415 6385.0000 -49.85793 -49.12655 0.73138 1.66544 -49.27325 300.95880 6390.0000 -49.77372 -48.88713 0.88659 1.69357 -49.05908 342.54553 6395.0000 -50.28707 -49.34332 0.94375 1.67979 -49.16404 335.80837 6400.0000 -50.02050 -48.86860 1.15190 1.67051 -49.23462 315.52846 6405.0000 -50.17301 -48.92096 1.25206 1.70642 -48.96133 372.02289 6410.0000 -50.00387 -49.00656 0.99732 1.69404 -49.05553 346.95076 6415.0000 -49.94055 -49.09218 0.84837 1.68367 -49.13448 338.96394 6420.0000 -49.93171 -48.77954 1.15217 1.72057 -48.85359 385.46383 6425.0000 -50.13293 -49.15314 0.97979 1.70444 -48.97640 369.13700 6430.0000 -49.85425 -48.90710 0.94715 1.66183 -49.30070 318.62318 6435.0000 -49.95039 -49.12643 0.82396 1.71024 -48.93224 378.43028 6440.0000 -49.67925 -48.66542 1.01383 1.71545 -48.89259 365.84052 6445.0000 -50.04099 -49.03739 1.00360 1.72671 -48.80686 393.66918 6450.0000 -50.30874 -49.33471 0.97403 1.70316 -48.98610 360.63302 6455.0000 -50.24094 -49.51520 0.72574 1.64500 -49.42884 278.32420 6460.0000 -50.25028 -49.55236 0.69792 1.63391 -49.51325 269.21107 6465.0000 -50.26806 -49.49839 0.76967 1.63492 -49.50550 270.13488 6470.0000 -49.84923 -49.22482 0.62441 1.65372 -49.36241 302.16033 6475.0000 -50.25149 -49.54551 0.70598 1.65326 -49.36597 310.31200 6480.0000 -49.95281 -49.32624 0.62657 1.63673 -49.49179 274.77124 6485.0000 -50.17623 -49.36028 0.81594 1.66849 -49.24999 320.31096 6490.0000 -50.16785 -49.18290 0.98495 1.66481 -49.27799 327.19422 6495.0000 -50.12090 -49.41383 0.70707 1.65991 -49.31531 304.46268 6500.0000 -50.20175 -49.44331 0.75844 1.64439 -49.43348 286.50235 FREEZING PROCESS: loop number 27 T-loop= 307.00000000000000 main_MD> interactions number 27 at Temperature= 307.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.10762 0.18370 0.45110 force_rgl> df(natom) -1.59617 0.66157 -0.23147 6505.0000 -49.59151 -48.72956 0.86195 1.67640 -49.18982 321.37499 6510.0000 -50.10055 -49.48480 0.61575 1.68185 -49.14833 349.47658 6515.0000 -50.09056 -49.34412 0.74644 1.67178 -49.22494 321.74012 6520.0000 -50.18647 -49.19741 0.98907 1.64972 -49.39290 293.60715 6525.0000 -50.28164 -49.48123 0.80040 1.67689 -49.18606 330.20291 6530.0000 -49.93476 -49.02745 0.90731 1.64211 -49.45083 276.28554 6535.0000 -50.17119 -49.52999 0.64120 1.65731 -49.33508 299.04449 6540.0000 -50.18695 -49.70800 0.47895 1.61950 -49.62291 248.58660 6545.0000 -50.09707 -49.27221 0.82486 1.64882 -49.39975 302.63478 6550.0000 -50.30792 -49.27700 1.03092 1.66423 -49.28244 318.24526 6555.0000 -50.00195 -49.35692 0.64503 1.65593 -49.34563 303.72881 6560.0000 -49.99452 -49.26153 0.73298 1.67126 -49.22895 319.82740 6565.0000 -50.22900 -49.40809 0.82091 1.62563 -49.57628 267.72764 6570.0000 -50.00266 -49.17024 0.83242 1.65257 -49.37119 298.66758 6575.0000 -50.27547 -49.28955 0.98592 1.68343 -49.13629 332.77000 6580.0000 -50.34243 -49.53495 0.80747 1.64107 -49.45877 282.19068 6585.0000 -50.53348 -49.80544 0.72804 1.62958 -49.54621 265.30826 6590.0000 -50.21199 -49.43793 0.77406 1.63549 -49.50117 269.66394 6595.0000 -50.21665 -49.50108 0.71557 1.63175 -49.52964 262.96970 6600.0000 -49.94263 -49.12780 0.81482 1.66400 -49.28419 315.12193 6605.0000 -49.94473 -49.10297 0.84176 1.68096 -49.15512 334.79026 6610.0000 -50.23126 -49.28271 0.94855 1.66728 -49.25919 308.22250 6615.0000 -50.04425 -49.32483 0.71942 1.66275 -49.29368 305.50319 6620.0000 -50.21958 -49.40346 0.81612 1.65692 -49.33810 309.24863 6625.0000 -50.38042 -49.67496 0.70546 1.62802 -49.55809 272.30639 6630.0000 -50.30304 -49.55027 0.75277 1.62999 -49.54310 276.47459 6635.0000 -50.07346 -49.25337 0.82008 1.63615 -49.49619 275.65116 6640.0000 -50.16252 -49.51382 0.64870 1.64021 -49.46531 280.26385 6645.0000 -50.06138 -49.48068 0.58070 1.62790 -49.55895 265.44937 6650.0000 -49.97130 -49.46750 0.50380 1.63211 -49.52696 262.98229 6655.0000 -50.31633 -49.74767 0.56865 1.61938 -49.62383 244.36723 6660.0000 -50.41788 -49.81064 0.60723 1.60019 -49.76993 222.35560 6665.0000 -50.14639 -49.39810 0.74828 1.61639 -49.64661 246.28071 6670.0000 -50.15750 -49.54704 0.61046 1.63663 -49.49254 270.71891 6675.0000 -50.17297 -49.11193 1.06104 1.67322 -49.21404 310.52678 6680.0000 -49.98291 -49.02661 0.95630 1.67970 -49.16472 314.82352 6685.0000 -49.93823 -49.04678 0.89145 1.68945 -49.09051 329.98535 6690.0000 -50.19434 -49.24553 0.94881 1.66952 -49.24218 316.82222 6695.0000 -50.21418 -49.32603 0.88815 1.67478 -49.20213 328.13745 6700.0000 -50.07704 -49.42710 0.64994 1.66453 -49.28016 316.99303 6705.0000 -50.03789 -49.04010 0.99779 1.63741 -49.48662 275.04187 6710.0000 -50.11013 -49.16925 0.94089 1.68193 -49.14771 335.10587 6715.0000 -50.24919 -49.50731 0.74188 1.65037 -49.38796 297.29759 6720.0000 -49.87705 -49.16087 0.71617 1.65335 -49.36525 294.44098 6725.0000 -50.08781 -49.37987 0.70794 1.64999 -49.39080 295.50663 6730.0000 -50.19611 -49.34141 0.85470 1.66401 -49.28414 309.30398 6735.0000 -50.25999 -49.42421 0.83578 1.66137 -49.30424 311.64228 6740.0000 -49.93875 -49.08070 0.85805 1.68642 -49.11353 335.11669 6745.0000 -49.80880 -48.93998 0.86882 1.70757 -48.95253 367.60671 6750.0000 -50.02083 -49.08066 0.94017 1.70191 -48.99566 365.58032 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 5.1391406 [s]. main_MD> Deallocating global variables