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_33.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 = 33 ntipo2 = 0 read_input> Finish reading input main_MD> Allocating global variables main_MD> Number of outputs that will be created: 1600 main_MD> Size of nv and nvoiz: 33 3300 main_MD> Size of nv and nvoiz: 33 3300 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 = 33 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> 0.13824429828339152 -8.5013247008980816E-002 -0.22435775110648934 initial drift of cluster / NP1 for coalescence init> 0.40971045321943866 0.31606436152233530 0.25569879751946994 scaling for velocity /for coalescence NP1 init.f90 > facguy = 3.5608932621088362E-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) 0.97784 -5.12528 -0.31201 force_rgl> df(natom) -1.12799 -1.35237 -0.45658 preparo> THERMALIZATION PROCESS AT 1097.6475632488600 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -71.794730308467109 3.7229705931876307 -75.517700901654734 5.5331295083894201E-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 32 FREEZING PROCESS: loop number 1 T-loop= 1075.0000000000000 main_MD> interactions number 1 at Temperature= 1075.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.03356 -0.77702 -1.98090 force_rgl> df(natom) -0.77055 -0.45107 -1.56198 5.0000 -75.52367 -71.04664 4.47703 2.55253 -71.08883 1047.89437 10.0000 -75.77579 -70.96630 4.80949 2.58442 -70.76081 1055.39067 15.0000 -75.82356 -71.55059 4.27297 2.56650 -70.94512 1128.38736 20.0000 -73.81358 -69.98930 3.82428 2.56538 -70.95663 1049.64366 25.0000 -75.15491 -70.19266 4.96225 2.66951 -69.88530 1102.04385 30.0000 -74.99859 -69.47559 5.52300 2.63159 -70.27551 1151.54726 35.0000 -76.11174 -71.29435 4.81739 2.63824 -70.20702 1133.26858 40.0000 -75.42309 -71.71563 3.70746 2.54778 -71.13776 1001.92867 45.0000 -74.32859 -69.93530 4.39328 2.66572 -69.92433 1154.52647 50.0000 -75.46900 -70.39131 5.07769 2.63784 -70.21115 1141.00712 55.0000 -75.70280 -71.13607 4.56673 2.58285 -70.77688 1101.69045 60.0000 -76.40950 -72.20457 4.20493 2.51037 -71.52265 1055.79367 65.0000 -74.74035 -70.87099 3.86936 2.58690 -70.73525 1087.10561 70.0000 -77.07922 -71.89063 5.18858 2.46009 -72.03996 1002.18526 75.0000 -76.54480 -72.10539 4.43941 2.43814 -72.26578 979.88654 80.0000 -74.65531 -69.63291 5.02240 2.56242 -70.98708 1104.23613 85.0000 -76.10719 -72.23770 3.86949 2.56766 -70.93324 1089.42133 90.0000 -74.22455 -69.40937 4.81518 2.50909 -71.53577 1040.85935 95.0000 -75.81092 -70.44482 5.36611 2.60668 -70.53171 1151.02158 100.0000 -76.07267 -71.61297 4.45971 2.58241 -70.78141 1074.99145 105.0000 -76.05417 -71.32022 4.73396 2.51197 -71.50613 1048.03660 110.0000 -75.91732 -71.04503 4.87229 2.55429 -71.07071 1090.54193 115.0000 -75.14344 -70.29831 4.84514 2.62351 -70.35858 1103.26582 120.0000 -76.47482 -72.75131 3.72351 2.51885 -71.43537 1039.10838 125.0000 -76.49361 -72.06234 4.43128 2.40239 -72.63357 985.96699 130.0000 -75.54438 -69.93359 5.61080 2.46087 -72.03192 1034.13153 135.0000 -74.75640 -70.01440 4.74200 2.60602 -70.53854 1106.43176 140.0000 -73.86256 -68.98874 4.87381 2.67196 -69.86011 1160.41217 145.0000 -74.75057 -69.77145 4.97912 2.65664 -70.01778 1164.28985 150.0000 -77.28712 -71.42332 5.86380 2.55532 -71.06016 1104.29311 155.0000 -76.47420 -72.25921 4.21498 2.50203 -71.60840 1017.30048 160.0000 -76.13836 -72.38595 3.75241 2.46202 -72.02001 983.94379 165.0000 -76.06302 -71.51486 4.54817 2.43918 -72.25500 1016.95553 170.0000 -75.40191 -70.75523 4.64668 2.55861 -71.02627 1105.69787 175.0000 -76.63674 -72.20059 4.43615 2.53309 -71.28890 1092.39693 180.0000 -74.95239 -70.78808 4.16431 2.47679 -71.86815 1009.95665 185.0000 -73.78644 -68.69461 5.09183 2.72855 -69.27795 1186.23810 190.0000 -75.47667 -69.18175 6.29492 2.73224 -69.23992 1202.32376 195.0000 -75.56560 -70.60989 4.95571 2.66740 -69.90701 1230.78601 200.0000 -75.75090 -71.51374 4.23717 2.61496 -70.44659 1114.24225 205.0000 -74.54718 -70.31053 4.23665 2.61545 -70.44151 1162.90406 210.0000 -75.96917 -70.83517 5.13400 2.56293 -70.98192 1160.60587 215.0000 -75.11607 -70.47462 4.64145 2.58333 -70.77201 1101.73246 220.0000 -75.25707 -70.28866 4.96841 2.60221 -70.57776 1150.52423 225.0000 -73.55805 -69.15401 4.40404 2.71439 -69.42363 1182.71722 230.0000 -75.70322 -71.12931 4.57391 2.53912 -71.22680 1033.26555 235.0000 -74.87017 -69.97535 4.89483 2.67325 -69.84685 1188.06447 240.0000 -76.45527 -72.34681 4.10847 2.66668 -69.91444 1193.27907 245.0000 -77.66502 -74.13604 3.52898 2.39309 -72.72928 957.51364 250.0000 -76.66020 -72.29757 4.36263 2.32239 -73.45664 900.37808 FREEZING PROCESS: loop number 2 T-loop= 1050.0000000000000 main_MD> interactions number 2 at Temperature= 1050.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.46279 0.60230 -0.70717 force_rgl> df(natom) -1.26520 -0.32763 0.91881 255.0000 -77.01714 -72.00311 5.01403 2.37991 -72.86482 968.05280 260.0000 -77.23215 -73.07912 4.15303 2.38853 -72.77610 934.76391 265.0000 -75.59098 -72.93450 2.65648 2.40796 -72.57620 924.44825 270.0000 -76.14039 -71.43507 4.70532 2.49372 -71.69387 1048.93875 275.0000 -75.32056 -71.16314 4.15742 2.55045 -71.11023 1021.89368 280.0000 -73.64680 -69.19378 4.45302 2.65623 -70.02195 1129.68725 285.0000 -75.60444 -69.98701 5.61743 2.69047 -69.66966 1166.60642 290.0000 -76.82504 -72.60128 4.22376 2.55188 -71.09559 1069.52250 295.0000 -76.68985 -72.41194 4.27791 2.47819 -71.85371 1045.21811 300.0000 -73.89852 -69.94030 3.95822 2.55437 -71.06993 1051.42689 305.0000 -75.21330 -70.52695 4.68635 2.68715 -69.70389 1169.46282 310.0000 -76.23184 -71.56025 4.67159 2.60769 -70.52138 1159.73821 315.0000 -76.08476 -70.09996 5.98480 2.51569 -71.46787 1036.94492 320.0000 -75.45558 -70.33128 5.12430 2.62755 -70.31700 1143.31315 325.0000 -75.72720 -71.30507 4.42213 2.59105 -70.69259 1083.13845 330.0000 -75.06463 -70.33000 4.73463 2.59031 -70.70013 1112.40679 335.0000 -74.78769 -71.15795 3.62973 2.61941 -70.40076 1158.97172 340.0000 -74.55588 -70.57570 3.98019 2.63472 -70.24325 1132.01102 345.0000 -76.15930 -71.56888 4.59042 2.56797 -70.92997 1090.75203 350.0000 -76.38247 -71.60160 4.78088 2.45638 -72.07809 1017.71151 355.0000 -75.85336 -72.05254 3.80082 2.48181 -71.81642 1002.53275 360.0000 -76.90016 -72.05458 4.84558 2.46778 -71.96078 989.78388 365.0000 -75.72737 -72.50645 3.22092 2.44416 -72.20383 938.53258 370.0000 -76.18675 -71.92734 4.25941 2.44187 -72.22737 1005.40056 375.0000 -76.08807 -71.59348 4.49459 2.50659 -71.56149 1019.18908 380.0000 -74.05350 -70.54935 3.50415 2.55289 -71.08517 1084.09118 385.0000 -76.46700 -71.22749 5.23951 2.60667 -70.53185 1139.57585 390.0000 -75.72309 -71.34144 4.38165 2.46499 -71.98947 1045.57867 395.0000 -77.20793 -72.90994 4.29799 2.43359 -72.31259 969.35265 400.0000 -76.00402 -71.28986 4.71415 2.42923 -72.35737 973.68273 405.0000 -75.24057 -71.00529 4.23529 2.56833 -70.92628 1082.47448 410.0000 -77.41953 -73.30624 4.11329 2.45014 -72.14227 1011.60466 415.0000 -76.46949 -72.99902 3.47048 2.35532 -73.11782 921.43479 420.0000 -75.67015 -71.19629 4.47386 2.45747 -72.06684 1009.51989 425.0000 -75.12472 -71.59213 3.53259 2.56609 -70.94936 1115.90298 430.0000 -77.01103 -72.19734 4.81369 2.46056 -72.03511 986.03470 435.0000 -77.18833 -71.43811 5.75021 2.46170 -72.02331 967.98440 440.0000 -74.76480 -70.44774 4.31706 2.55367 -71.07715 1028.10334 445.0000 -74.54744 -69.47500 5.07244 2.61321 -70.46455 1110.89209 450.0000 -75.68685 -72.20579 3.48106 2.54638 -71.15212 1023.63888 455.0000 -76.11170 -72.23742 3.87428 2.43092 -72.34005 954.03105 460.0000 -75.74015 -71.99048 3.74967 2.45856 -72.05567 990.45870 465.0000 -77.10322 -72.99178 4.11144 2.41664 -72.48694 971.12932 470.0000 -76.39399 -71.77980 4.61419 2.49134 -71.71844 1051.45736 475.0000 -76.33592 -72.20734 4.12857 2.46987 -71.93930 996.09787 480.0000 -76.21782 -71.58420 4.63362 2.45141 -72.12920 1015.58001 485.0000 -77.63263 -73.02434 4.60829 2.43101 -72.33908 992.87317 490.0000 -76.24968 -72.65044 3.59923 2.38561 -72.80617 966.80552 495.0000 -74.99342 -70.93247 4.06095 2.51915 -71.43225 1002.09081 500.0000 -76.10318 -71.65829 4.44488 2.55917 -71.02056 1077.56674 FREEZING PROCESS: loop number 3 T-loop= 1025.0000000000000 main_MD> interactions number 3 at Temperature= 1025.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.78797 0.09656 2.20240 force_rgl> df(natom) -6.98848 -2.14068 1.95825 505.0000 -75.87978 -71.00303 4.87675 2.50491 -71.57875 1005.25078 510.0000 -76.18891 -71.77031 4.41860 2.52712 -71.35031 1031.36719 515.0000 -76.48108 -71.71045 4.77062 2.58668 -70.73755 1103.29674 520.0000 -75.24337 -70.70477 4.53861 2.56408 -70.96999 1067.01637 525.0000 -76.50269 -70.94777 5.55493 2.56288 -70.98243 1063.80258 530.0000 -75.82250 -72.05060 3.77190 2.49111 -71.72075 1007.88645 535.0000 -76.01879 -70.93619 5.08260 2.56343 -70.97673 1038.26661 540.0000 -76.20279 -70.99427 5.20852 2.50570 -71.57067 975.77529 545.0000 -75.87977 -70.68931 5.19046 2.61157 -70.48140 1143.90813 550.0000 -76.46278 -72.20872 4.25406 2.48423 -71.79155 1027.57927 555.0000 -75.14752 -71.30408 3.84344 2.53174 -71.30279 1092.57321 560.0000 -76.26803 -71.54425 4.72379 2.49321 -71.69919 1026.30035 565.0000 -75.76345 -71.25663 4.50682 2.53884 -71.22971 1066.36502 570.0000 -76.01418 -71.63235 4.38183 2.53518 -71.26736 1017.01367 575.0000 -75.00243 -70.96601 4.03643 2.53642 -71.25462 1031.98154 580.0000 -74.76337 -71.02640 3.73697 2.56931 -70.91627 1030.13726 585.0000 -76.37884 -72.25263 4.12621 2.47729 -71.86296 1001.35211 590.0000 -76.33783 -73.26596 3.07187 2.33100 -73.36806 853.96161 595.0000 -76.26332 -72.62292 3.64039 2.43781 -72.26916 982.52134 600.0000 -75.32339 -71.57331 3.75008 2.46833 -71.95513 988.66366 605.0000 -75.93922 -72.22696 3.71225 2.47360 -71.90092 992.65834 610.0000 -76.11556 -72.29850 3.81706 2.46484 -71.99105 997.27601 615.0000 -74.88686 -71.01352 3.87334 2.51053 -71.52101 1033.76732 620.0000 -75.37502 -70.62364 4.75138 2.62208 -70.37336 1101.69948 625.0000 -74.37852 -68.91133 5.46719 2.65831 -70.00059 1165.38178 630.0000 -74.02449 -69.54194 4.48256 2.74070 -69.15291 1264.90334 635.0000 -74.72945 -69.20184 5.52761 2.74490 -69.10968 1218.69199 640.0000 -76.65143 -71.31443 5.33699 2.61165 -70.48067 1131.13087 645.0000 -76.48418 -71.56058 4.92360 2.48006 -71.83448 1031.20290 650.0000 -76.17066 -70.93205 5.23860 2.54641 -71.15184 1076.37885 655.0000 -76.41586 -73.01984 3.39602 2.43474 -72.30071 941.22894 660.0000 -77.44249 -72.71823 4.72427 2.39322 -72.72788 907.67893 665.0000 -76.61807 -71.41254 5.20553 2.43824 -72.26470 972.84028 670.0000 -76.99875 -72.57913 4.41962 2.36997 -72.96713 917.40880 675.0000 -75.73761 -71.99990 3.73771 2.43288 -72.31987 935.69620 680.0000 -75.20340 -71.02747 4.17593 2.53547 -71.26443 1042.25970 685.0000 -76.30390 -71.72655 4.57735 2.53922 -71.22576 1066.21241 690.0000 -75.44363 -71.86476 3.57886 2.46316 -72.00833 978.59765 695.0000 -75.47055 -70.48230 4.98826 2.57061 -70.90289 1108.22961 700.0000 -75.98714 -72.24459 3.74256 2.53484 -71.27085 1095.80680 705.0000 -75.14623 -69.66043 5.48580 2.55769 -71.03581 1102.28570 710.0000 -76.35245 -72.36751 3.98494 2.57280 -70.88032 1055.24373 715.0000 -76.30778 -71.20342 5.10436 2.48565 -71.77697 1013.54436 720.0000 -74.70025 -71.09888 3.60137 2.51422 -71.48298 1084.75394 725.0000 -76.57870 -72.90014 3.67857 2.39304 -72.72973 954.68791 730.0000 -76.21116 -71.01428 5.19688 2.50729 -71.55427 1050.07140 735.0000 -76.29731 -71.76241 4.53490 2.57082 -70.90070 1109.90607 740.0000 -76.08810 -72.59775 3.49035 2.47129 -71.92471 1005.16713 745.0000 -76.91308 -73.60222 3.31087 2.35989 -73.07078 924.87111 750.0000 -76.93405 -71.63437 5.29968 2.36518 -73.01641 884.11033 FREEZING PROCESS: loop number 4 T-loop= 1000.0000000000000 main_MD> interactions number 4 at Temperature= 1000.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.83742 0.81845 1.64042 force_rgl> df(natom) -2.65468 2.38502 0.97026 755.0000 -76.45448 -71.64715 4.80734 2.45912 -72.04992 997.96932 760.0000 -76.46561 -72.87725 3.58836 2.52847 -71.33641 1016.09065 765.0000 -75.57332 -71.80967 3.76365 2.39492 -72.71045 918.61875 770.0000 -76.27584 -71.87288 4.40296 2.47114 -71.92618 980.52230 775.0000 -76.20530 -70.93593 5.26938 2.56557 -70.95470 1084.76467 780.0000 -75.24742 -70.45117 4.79625 2.55693 -71.04362 1046.23440 785.0000 -75.52104 -70.91575 4.60528 2.54203 -71.19688 1033.34058 790.0000 -77.48373 -73.85354 3.63019 2.38804 -72.78122 920.47627 795.0000 -76.50375 -72.69327 3.81048 2.36106 -73.05871 899.37053 800.0000 -77.78579 -73.51988 4.26591 2.35535 -73.11750 909.50758 805.0000 -75.80006 -72.61080 3.18926 2.37244 -72.94163 917.73224 810.0000 -76.34733 -72.45941 3.88792 2.37610 -72.90403 916.19879 815.0000 -75.15296 -71.40067 3.75229 2.45288 -72.11410 995.68133 820.0000 -76.44476 -71.86153 4.58323 2.49875 -71.64220 1038.05803 825.0000 -77.50920 -71.85838 5.65082 2.51080 -71.51822 1047.35595 830.0000 -75.19092 -69.35493 5.83599 2.54540 -71.16225 1041.80508 835.0000 -75.20872 -69.98767 5.22104 2.67107 -69.86928 1197.12003 840.0000 -75.36096 -70.92154 4.43942 2.52643 -71.35736 1062.02028 845.0000 -76.74317 -71.40134 5.34183 2.52075 -71.41585 1067.95246 850.0000 -76.43179 -72.13802 4.29377 2.44801 -72.16419 993.72378 855.0000 -76.33026 -72.07573 4.25453 2.42575 -72.39322 974.22744 860.0000 -75.40433 -71.12299 4.28133 2.47908 -71.84457 1010.90874 865.0000 -75.20453 -70.95146 4.25307 2.54721 -71.14362 1042.58820 870.0000 -76.36772 -72.25091 4.11681 2.50246 -71.60395 989.15888 875.0000 -75.64358 -71.71302 3.93056 2.48923 -71.74012 997.81326 880.0000 -76.20801 -71.41475 4.79326 2.48873 -71.74523 1003.13404 885.0000 -75.62003 -71.76458 3.85545 2.48638 -71.76948 1043.79755 890.0000 -75.34211 -71.52646 3.81564 2.56945 -70.91484 1070.78118 895.0000 -76.67519 -71.77396 4.90124 2.48715 -71.76152 1013.53586 900.0000 -77.11704 -73.08376 4.03328 2.38631 -72.79893 914.87012 905.0000 -77.18164 -72.65366 4.52799 2.37730 -72.89167 908.64956 910.0000 -76.55190 -71.76727 4.78463 2.37470 -72.91841 936.23676 915.0000 -76.09540 -71.69902 4.39638 2.50870 -71.53983 1024.88303 920.0000 -75.80633 -70.71924 5.08709 2.53330 -71.28675 1080.36268 925.0000 -73.81286 -69.01603 4.79683 2.66299 -69.95244 1145.00526 930.0000 -76.11490 -71.55405 4.56085 2.67418 -69.83727 1190.02584 935.0000 -75.07695 -71.66363 3.41333 2.47710 -71.86486 1005.43692 940.0000 -75.13808 -71.18967 3.94841 2.53912 -71.22683 1039.76016 945.0000 -75.56887 -71.43238 4.13649 2.56262 -70.98505 1044.41079 950.0000 -76.97577 -72.96887 4.00690 2.43462 -72.30198 944.41647 955.0000 -76.98693 -72.66087 4.32606 2.47285 -71.90869 1009.35133 960.0000 -75.98717 -71.96750 4.01966 2.44952 -72.14870 1002.22702 965.0000 -75.78303 -70.92123 4.86180 2.49271 -71.70430 997.09275 970.0000 -76.96924 -73.00184 3.96740 2.49852 -71.64457 1001.19029 975.0000 -76.55986 -72.05377 4.50608 2.41194 -72.53528 941.63350 980.0000 -76.09821 -71.82387 4.27434 2.44205 -72.22549 967.19652 985.0000 -76.41129 -72.11782 4.29347 2.45398 -72.10281 999.00232 990.0000 -76.42944 -71.72212 4.70732 2.49425 -71.68845 1004.07416 995.0000 -75.46791 -69.83904 5.62887 2.55590 -71.05415 1088.59445 1000.0000 -75.53998 -72.26387 3.27611 2.57134 -70.89538 1054.93692 FREEZING PROCESS: loop number 5 T-loop= 975.00000000000000 main_MD> interactions number 5 at Temperature= 975.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.10766 -0.31175 2.39244 force_rgl> df(natom) -2.31267 1.80920 0.00828 1005.0000 -77.34991 -73.35995 3.98997 2.41578 -72.49577 963.66742 1010.0000 -76.48272 -73.01319 3.46954 2.37917 -72.87242 965.70472 1015.0000 -76.29229 -72.06530 4.22700 2.47185 -71.91888 1003.20437 1020.0000 -76.47491 -72.43240 4.04251 2.46565 -71.98268 957.04727 1025.0000 -75.82996 -70.94543 4.88453 2.51710 -71.45340 1055.53822 1030.0000 -76.25700 -71.98094 4.27607 2.54832 -71.13214 1062.32872 1035.0000 -76.54656 -72.19626 4.35030 2.47824 -71.85315 1017.71626 1040.0000 -77.54931 -72.82060 4.72870 2.43460 -72.30216 962.16125 1045.0000 -76.54241 -72.06655 4.47586 2.32675 -73.41178 887.41841 1050.0000 -76.83936 -72.28187 4.55749 2.49239 -71.70763 1027.20572 1055.0000 -77.29840 -73.18266 4.11574 2.38009 -72.86294 937.90550 1060.0000 -76.27102 -72.50144 3.76958 2.35183 -73.15376 877.56514 1065.0000 -77.45587 -73.16372 4.29215 2.37575 -72.90758 912.79085 1070.0000 -76.32860 -73.03705 3.29155 2.37522 -72.91303 989.83434 1075.0000 -77.61739 -72.87702 4.74037 2.42414 -72.40974 929.44714 1080.0000 -75.95362 -72.21918 3.73444 2.37996 -72.86434 930.21240 1085.0000 -74.79285 -70.80223 3.99062 2.50675 -71.55991 1026.22926 1090.0000 -75.96473 -71.57897 4.38576 2.50448 -71.58323 1001.87192 1095.0000 -75.65938 -71.21604 4.44333 2.53065 -71.31399 1010.87214 1100.0000 -77.13291 -72.43791 4.69500 2.43929 -72.25388 971.32166 1105.0000 -75.66115 -71.61599 4.04516 2.48299 -71.80430 976.17279 1110.0000 -76.96615 -72.24881 4.71734 2.46307 -72.00927 968.94562 1115.0000 -77.21987 -73.00442 4.21545 2.39574 -72.70194 960.51070 1120.0000 -76.19312 -72.99897 3.19416 2.35048 -73.16759 891.57426 1125.0000 -75.80402 -71.47934 4.32468 2.43611 -72.28665 976.10290 1130.0000 -76.01015 -71.52555 4.48460 2.52573 -71.36461 1016.83623 1135.0000 -76.87372 -72.39565 4.47807 2.45252 -72.11775 997.88311 1140.0000 -75.66816 -72.22354 3.44462 2.46780 -71.96058 980.99620 1145.0000 -74.98275 -71.18444 3.79831 2.42717 -72.37862 957.27649 1150.0000 -75.05478 -70.73794 4.31684 2.54470 -71.16943 1026.06457 1155.0000 -75.63973 -71.58496 4.05477 2.46477 -71.99177 1020.87583 1160.0000 -77.02693 -72.83373 4.19320 2.46414 -71.99824 975.31886 1165.0000 -77.11402 -73.35670 3.75732 2.41771 -72.47593 993.83001 1170.0000 -75.84713 -72.35812 3.48901 2.41243 -72.53026 920.40735 1175.0000 -76.06573 -72.43618 3.62955 2.48972 -71.73508 1011.97436 1180.0000 -76.69716 -72.55120 4.14596 2.38091 -72.85452 941.59277 1185.0000 -77.19942 -73.11711 4.08231 2.38827 -72.77882 962.05050 1190.0000 -77.45954 -73.26231 4.19723 2.38970 -72.76412 917.78874 1195.0000 -76.91613 -73.97536 2.94077 2.28676 -73.82314 845.28968 1200.0000 -77.79237 -73.81359 3.97878 2.32106 -73.47030 882.14172 1205.0000 -75.86645 -72.33700 3.52945 2.38878 -72.77356 972.84118 1210.0000 -77.61638 -73.59628 4.02010 2.34448 -73.22938 888.10374 1215.0000 -76.33955 -71.57788 4.76167 2.41858 -72.46700 945.29672 1220.0000 -76.74443 -72.24214 4.50229 2.42263 -72.42530 891.67240 1225.0000 -75.32120 -71.09179 4.22941 2.52750 -71.34639 1054.71521 1230.0000 -75.41216 -71.00104 4.41112 2.52676 -71.35397 1079.51574 1235.0000 -74.18501 -69.46933 4.71568 2.57785 -70.82837 1042.13814 1240.0000 -74.16252 -69.90972 4.25279 2.67526 -69.82615 1122.61987 1245.0000 -76.27396 -70.50156 5.77240 2.59951 -70.60549 1113.39815 1250.0000 -76.79827 -72.12200 4.67627 2.51603 -71.46443 1046.86234 FREEZING PROCESS: loop number 6 T-loop= 950.00000000000000 main_MD> interactions number 6 at Temperature= 950.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.56705 -0.53589 -2.25015 force_rgl> df(natom) -1.31632 1.02230 -1.12896 1255.0000 -75.69980 -70.35514 5.34466 2.52448 -71.37745 1045.96389 1260.0000 -74.88665 -70.77599 4.11066 2.68069 -69.77030 1171.31566 1265.0000 -76.88126 -71.79584 5.08543 2.47028 -71.93505 1012.47152 1270.0000 -76.26981 -72.36613 3.90368 2.51151 -71.51085 1049.26263 1275.0000 -77.54674 -73.37321 4.17354 2.32126 -73.46819 906.92797 1280.0000 -76.88832 -72.40123 4.48709 2.35826 -73.08758 893.51254 1285.0000 -76.23604 -72.90990 3.32614 2.44760 -72.16844 1010.95120 1290.0000 -77.03273 -73.41768 3.61505 2.30989 -73.58518 830.77873 1295.0000 -76.36382 -73.08262 3.28120 2.32327 -73.44760 849.34381 1300.0000 -77.24011 -73.27245 3.96766 2.39386 -72.72128 923.17221 1305.0000 -77.41099 -73.70825 3.70274 2.25496 -74.15035 786.56824 1310.0000 -76.99988 -72.98917 4.01071 2.34649 -73.20870 876.98227 1315.0000 -78.15364 -73.62213 4.53151 2.29044 -73.78532 845.51720 1320.0000 -76.89058 -73.20898 3.68159 2.34104 -73.26472 888.30419 1325.0000 -77.12547 -71.78768 5.33779 2.47995 -71.83560 1035.71629 1330.0000 -76.43081 -73.74501 2.68580 2.37424 -72.92314 953.69406 1335.0000 -78.10302 -74.09683 4.00619 2.27774 -73.91597 858.81684 1340.0000 -76.34789 -71.98408 4.36381 2.29484 -73.74008 849.59374 1345.0000 -76.50306 -72.09639 4.40667 2.36663 -73.00147 889.13293 1350.0000 -76.48538 -72.97425 3.51113 2.41173 -72.53747 947.68131 1355.0000 -76.57091 -72.62427 3.94664 2.33020 -73.37626 898.37746 1360.0000 -76.07460 -72.74954 3.32506 2.37757 -72.88895 903.95240 1365.0000 -76.93342 -72.38479 4.54863 2.39814 -72.67728 948.42426 1370.0000 -76.80193 -72.22137 4.58056 2.44559 -72.18905 930.84114 1375.0000 -77.08371 -73.05564 4.02807 2.37399 -72.92571 939.08135 1380.0000 -77.31629 -73.80522 3.51106 2.34936 -73.17913 923.61904 1385.0000 -76.70134 -72.84472 3.85662 2.36363 -73.03236 900.78360 1390.0000 -76.74095 -73.43008 3.31087 2.34667 -73.20685 870.53162 1395.0000 -76.87201 -72.26321 4.60880 2.35657 -73.10498 909.36932 1400.0000 -76.46003 -71.45451 5.00552 2.44148 -72.23137 967.07843 1405.0000 -76.20883 -72.17200 4.03684 2.49241 -71.70742 978.31443 1410.0000 -75.84271 -71.69362 4.14909 2.48716 -71.76139 1033.86197 1415.0000 -76.30296 -71.68965 4.61331 2.51293 -71.49625 996.82100 1420.0000 -77.36794 -73.11727 4.25066 2.45773 -72.06420 1038.81900 1425.0000 -77.64447 -74.45613 3.18834 2.32530 -73.42665 889.10804 1430.0000 -77.38493 -73.66564 3.71929 2.27441 -73.95027 843.06750 1435.0000 -75.40751 -71.70650 3.70101 2.40713 -72.58479 901.54848 1440.0000 -76.08871 -71.68277 4.40595 2.57280 -70.88029 1076.73076 1445.0000 -76.15166 -71.57473 4.57693 2.45863 -72.05489 1007.89696 1450.0000 -77.34625 -71.80475 5.54150 2.43530 -72.29500 980.26687 1455.0000 -75.98928 -72.64224 3.34704 2.43266 -72.32216 972.84687 1460.0000 -76.12932 -72.27721 3.85212 2.45009 -72.14281 973.96812 1465.0000 -75.81149 -71.59218 4.21932 2.45635 -72.07834 977.05767 1470.0000 -76.20947 -72.34830 3.86117 2.47223 -71.91503 978.64308 1475.0000 -75.63382 -71.67366 3.96016 2.44994 -72.14435 946.22684 1480.0000 -75.93294 -70.26287 5.67007 2.54128 -71.20462 1030.96001 1485.0000 -75.93709 -72.35177 3.58532 2.53518 -71.26732 1041.82348 1490.0000 -76.27677 -72.78855 3.48822 2.37655 -72.89940 897.30159 1495.0000 -75.80250 -71.48175 4.32074 2.38581 -72.80416 882.96376 1500.0000 -77.71617 -72.29928 5.41689 2.47553 -71.88108 1034.60412 FREEZING PROCESS: loop number 7 T-loop= 925.00000000000000 main_MD> interactions number 7 at Temperature= 925.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.20150 2.42708 -1.43450 force_rgl> df(natom) 0.91951 0.77244 1.89583 1505.0000 -77.19519 -72.31651 4.87868 2.37498 -72.91551 935.78906 1510.0000 -75.41078 -71.53354 3.87724 2.47518 -71.88465 997.14882 1515.0000 -76.88297 -73.38766 3.49531 2.41514 -72.50237 910.98438 1520.0000 -75.38843 -71.30043 4.08800 2.44330 -72.21265 957.28106 1525.0000 -75.58094 -71.82780 3.75314 2.50755 -71.55165 1014.43759 1530.0000 -76.43370 -73.48329 2.95042 2.37272 -72.93878 896.91665 1535.0000 -77.09297 -73.42184 3.67113 2.35945 -73.07536 896.68659 1540.0000 -76.05130 -72.82889 3.22241 2.34992 -73.17337 869.53748 1545.0000 -76.46026 -71.60635 4.85392 2.43802 -72.26698 994.51812 1550.0000 -76.81405 -73.30503 3.50903 2.40273 -72.63002 949.90774 1555.0000 -76.24165 -72.53854 3.70311 2.43619 -72.28577 996.98367 1560.0000 -77.15961 -73.39435 3.76526 2.39784 -72.68035 955.38097 1565.0000 -77.22991 -73.57260 3.65731 2.23600 -74.34541 838.16011 1570.0000 -76.90883 -72.48210 4.42672 2.34083 -73.26694 889.48674 1575.0000 -76.73736 -72.51806 4.21930 2.39325 -72.72756 939.84891 1580.0000 -77.67985 -73.70140 3.97845 2.34568 -73.21697 897.10383 1585.0000 -76.73426 -72.59784 4.13642 2.32833 -73.39547 892.88137 1590.0000 -77.15108 -74.29872 2.85236 2.29220 -73.76721 847.57999 1595.0000 -76.85748 -72.95062 3.90686 2.29466 -73.74192 868.88622 1600.0000 -76.43772 -71.95482 4.48290 2.41225 -72.53212 1006.68571 1605.0000 -77.44244 -72.43958 5.00286 2.44765 -72.16787 933.97746 1610.0000 -76.08883 -71.79649 4.29234 2.46001 -72.04071 998.89963 1615.0000 -75.06282 -71.94096 3.12186 2.49091 -71.72287 971.78171 1620.0000 -77.68606 -73.13901 4.54705 2.41289 -72.52547 952.24454 1625.0000 -75.67526 -71.20965 4.46561 2.43912 -72.25561 962.37952 1630.0000 -75.13809 -71.03901 4.09908 2.56355 -70.97553 1073.46271 1635.0000 -77.53638 -73.57108 3.96530 2.44499 -72.19525 1017.57557 1640.0000 -76.77477 -73.01767 3.75710 2.34254 -73.24926 905.05391 1645.0000 -76.37083 -72.99843 3.37240 2.39073 -72.75347 945.39645 1650.0000 -77.06166 -73.65246 3.40920 2.33770 -73.29907 906.76240 1655.0000 -77.43274 -73.59219 3.84056 2.37813 -72.88315 902.82170 1660.0000 -77.55630 -73.96403 3.59228 2.29163 -73.77312 830.86985 1665.0000 -78.26300 -74.28470 3.97830 2.28102 -73.88220 855.38321 1670.0000 -77.50107 -74.09281 3.40826 2.24369 -74.26632 765.16007 1675.0000 -76.38840 -72.60108 3.78733 2.37654 -72.89953 873.94976 1680.0000 -76.55610 -72.50152 4.05457 2.35945 -73.07529 909.61876 1685.0000 -77.50504 -73.55078 3.95426 2.34200 -73.25488 920.28727 1690.0000 -76.93569 -73.58410 3.35159 2.28556 -73.83556 842.73887 1695.0000 -77.15339 -71.92984 5.22355 2.34869 -73.18600 905.61321 1700.0000 -76.47181 -71.75970 4.71211 2.50374 -71.59082 1060.93733 1705.0000 -76.72415 -72.93368 3.79047 2.45027 -72.14095 984.28308 1710.0000 -77.49582 -73.62590 3.86992 2.32565 -73.42310 909.39527 1715.0000 -77.31555 -74.23612 3.07944 2.28082 -73.88429 844.48060 1720.0000 -77.02818 -73.24028 3.78791 2.35721 -73.09839 906.78000 1725.0000 -76.64213 -73.31309 3.32904 2.30617 -73.62344 853.28996 1730.0000 -76.45250 -73.18988 3.26262 2.38220 -72.84122 909.39554 1735.0000 -77.08384 -71.72615 5.35769 2.37636 -72.90137 936.14393 1740.0000 -76.41612 -72.46192 3.95420 2.44199 -72.22613 944.80003 1745.0000 -76.42869 -73.48732 2.94137 2.37971 -72.86693 905.42297 1750.0000 -77.26593 -73.46301 3.80292 2.33233 -73.35435 907.24893 FREEZING PROCESS: loop number 8 T-loop= 900.00000000000000 main_MD> interactions number 8 at Temperature= 900.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.77497 -6.57898 1.72095 force_rgl> df(natom) 1.13655 0.22590 -0.55556 1755.0000 -77.62624 -73.96251 3.66373 2.36620 -73.00584 906.59558 1760.0000 -77.67865 -74.26190 3.41674 2.25664 -74.13303 848.94726 1765.0000 -77.28759 -73.54471 3.74288 2.22820 -74.42570 810.99131 1770.0000 -78.00038 -74.32417 3.67621 2.22365 -74.47244 787.21893 1775.0000 -77.46389 -74.74903 2.71486 2.23392 -74.36682 778.22602 1780.0000 -75.09499 -71.59907 3.49592 2.35877 -73.08232 909.33871 1785.0000 -76.26133 -71.96306 4.29827 2.49388 -71.69231 995.60414 1790.0000 -75.56751 -70.88100 4.68651 2.52305 -71.39220 1027.24673 1795.0000 -77.53193 -74.19246 3.33947 2.32521 -73.42755 868.09413 1800.0000 -77.84902 -74.22126 3.62776 2.28805 -73.80992 799.22344 1805.0000 -75.83718 -72.33470 3.50248 2.36034 -73.06617 841.21856 1810.0000 -75.92839 -71.90016 4.02823 2.46385 -72.00119 964.20001 1815.0000 -76.95870 -73.17849 3.78021 2.41060 -72.54911 909.59271 1820.0000 -76.02375 -72.36176 3.66199 2.42706 -72.37976 919.58272 1825.0000 -76.96861 -72.47337 4.49524 2.40721 -72.58391 944.81635 1830.0000 -76.09128 -71.54246 4.54882 2.46089 -72.03166 1016.31107 1835.0000 -76.10683 -72.51994 3.58689 2.44815 -72.16279 976.67521 1840.0000 -76.21543 -72.20328 4.01215 2.39936 -72.66473 919.88840 1845.0000 -77.61294 -73.17415 4.43879 2.49643 -71.66605 1008.51504 1850.0000 -77.87556 -75.28140 2.59416 2.21140 -74.59851 795.54258 1855.0000 -76.87005 -73.16974 3.70031 2.28806 -73.80977 879.37751 1860.0000 -78.17852 -74.04444 4.13407 2.31796 -73.50219 839.91302 1865.0000 -76.33838 -71.94812 4.39025 2.39001 -72.76089 957.33144 1870.0000 -76.37955 -72.95766 3.42189 2.40017 -72.65635 941.14383 1875.0000 -76.35420 -73.06032 3.29388 2.32657 -73.41364 864.17246 1880.0000 -77.20859 -73.27396 3.93463 2.37312 -72.93471 928.23909 1885.0000 -78.06399 -74.02728 4.03671 2.29723 -73.71545 856.96145 1890.0000 -77.85689 -74.25865 3.59824 2.29632 -73.72485 906.02960 1895.0000 -77.14270 -72.35119 4.79150 2.38842 -72.77729 978.56953 1900.0000 -75.83230 -73.06377 2.76853 2.38357 -72.82714 940.83956 1905.0000 -76.89110 -72.53965 4.35145 2.38387 -72.82409 913.21847 1910.0000 -75.27499 -71.99955 3.27544 2.43162 -72.33282 959.25297 1915.0000 -76.64076 -73.01126 3.62950 2.47268 -71.91038 1012.02222 1920.0000 -76.30927 -72.90571 3.40356 2.38196 -72.84369 930.18498 1925.0000 -76.77535 -71.68662 5.08873 2.40394 -72.61760 947.36501 1930.0000 -76.76244 -73.32038 3.44205 2.41862 -72.46660 940.57654 1935.0000 -77.12785 -72.07936 5.04849 2.37811 -72.88336 889.12826 1940.0000 -77.96870 -74.38254 3.58616 2.26523 -74.04466 821.22763 1945.0000 -77.05308 -73.58982 3.46326 2.25136 -74.18735 784.44956 1950.0000 -76.28243 -72.59069 3.69174 2.33726 -73.30364 898.01939 1955.0000 -76.30224 -71.52783 4.77440 2.44189 -72.22718 930.22496 1960.0000 -76.56140 -72.18315 4.37825 2.42640 -72.38648 930.96075 1965.0000 -76.55378 -72.45518 4.09861 2.37980 -72.86591 953.92330 1970.0000 -77.66251 -72.67493 4.98758 2.39136 -72.74702 937.16231 1975.0000 -75.88603 -72.03567 3.85036 2.46414 -71.99824 1003.24175 1980.0000 -75.47436 -71.64749 3.82686 2.43543 -72.29359 935.19279 1985.0000 -75.81937 -71.77353 4.04584 2.51589 -71.46583 993.25765 1990.0000 -75.05230 -71.30839 3.74392 2.51018 -71.52462 1015.38172 1995.0000 -76.63320 -71.93017 4.70303 2.52960 -71.32474 1037.84219 2000.0000 -75.16337 -71.50235 3.66102 2.43708 -72.27662 945.56888 FREEZING PROCESS: loop number 9 T-loop= 875.00000000000000 main_MD> interactions number 9 at Temperature= 875.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -3.82704 -1.80671 -1.40965 force_rgl> df(natom) -0.62046 -4.14894 -1.82669 2005.0000 -77.33161 -73.50314 3.82847 2.46967 -71.94139 983.17689 2010.0000 -77.27802 -73.57795 3.70007 2.31428 -73.54007 891.77345 2015.0000 -77.57441 -74.61531 2.95909 2.22530 -74.45549 811.63381 2020.0000 -77.01758 -73.19465 3.82294 2.27651 -73.92866 810.86737 2025.0000 -76.26376 -72.39357 3.87019 2.39602 -72.69911 935.46246 2030.0000 -76.64736 -72.37787 4.26949 2.43791 -72.26815 950.27347 2035.0000 -77.46496 -73.49819 3.96676 2.35475 -73.12370 958.28141 2040.0000 -78.59889 -74.88971 3.70918 2.24484 -74.25452 819.75563 2045.0000 -77.70991 -74.51767 3.19224 2.20088 -74.70671 775.87169 2050.0000 -76.97427 -74.16026 2.81401 2.20469 -74.66751 799.98104 2055.0000 -76.90915 -72.76409 4.14506 2.32737 -73.40536 887.32607 2060.0000 -74.60282 -70.05389 4.54893 2.53670 -71.25173 1026.91735 2065.0000 -74.73993 -70.91354 3.82640 2.59429 -70.65921 1102.91666 2070.0000 -75.31092 -71.10159 4.20933 2.50825 -71.54447 973.80230 2075.0000 -76.35561 -72.29091 4.06470 2.44004 -72.24621 998.98100 2080.0000 -76.96737 -72.76239 4.20498 2.39355 -72.72446 904.13635 2085.0000 -76.97690 -72.95708 4.01982 2.35959 -73.07388 890.79414 2090.0000 -76.87529 -72.85678 4.01850 2.43768 -72.27048 936.57171 2095.0000 -76.98600 -72.82244 4.16355 2.34753 -73.19800 888.94567 2100.0000 -77.95115 -73.83044 4.12071 2.39114 -72.74933 943.17357 2105.0000 -77.79423 -74.63419 3.16004 2.28819 -73.80851 877.51706 2110.0000 -77.75736 -73.80743 3.94993 2.27744 -73.91905 825.77808 2115.0000 -77.39340 -72.94932 4.44407 2.29630 -73.72500 835.13834 2120.0000 -76.99843 -71.90057 5.09786 2.40890 -72.56659 979.03327 2125.0000 -76.81201 -72.37564 4.43637 2.49632 -71.66715 1015.61068 2130.0000 -77.19092 -73.69709 3.49383 2.37353 -72.93042 919.08198 2135.0000 -77.55184 -73.77333 3.77850 2.22187 -74.49077 765.39479 2140.0000 -77.38304 -73.60296 3.78008 2.28412 -73.85039 834.28148 2145.0000 -76.75513 -72.19049 4.56464 2.38122 -72.85130 946.83826 2150.0000 -75.33393 -71.31442 4.01951 2.44876 -72.15651 976.17232 2155.0000 -75.98141 -72.86735 3.11406 2.42587 -72.39199 912.28633 2160.0000 -77.26904 -74.14724 3.12180 2.32803 -73.39863 905.33585 2165.0000 -76.40667 -72.94700 3.45968 2.32048 -73.47621 887.73053 2170.0000 -76.33072 -72.26398 4.06674 2.40209 -72.63660 929.16159 2175.0000 -75.86285 -72.04859 3.81426 2.45223 -72.12073 971.16178 2180.0000 -76.02549 -72.09184 3.93365 2.46771 -71.96151 970.45414 2185.0000 -76.13810 -72.32016 3.81794 2.42396 -72.41160 932.89498 2190.0000 -77.00708 -72.91445 4.09263 2.39425 -72.71733 961.12537 2195.0000 -77.57338 -74.34551 3.22786 2.28710 -73.81972 827.00840 2200.0000 -78.51105 -74.76930 3.74175 2.25047 -74.19654 827.69685 2205.0000 -77.44102 -74.01668 3.42434 2.22161 -74.49346 820.01880 2210.0000 -76.66669 -73.36125 3.30544 2.30526 -73.63285 844.21270 2215.0000 -77.59397 -73.73430 3.85967 2.33982 -73.27725 911.64545 2220.0000 -76.72246 -73.40306 3.31939 2.31369 -73.54615 875.35150 2225.0000 -76.78853 -72.48545 4.30309 2.31127 -73.57105 818.64616 2230.0000 -76.65412 -72.26563 4.38850 2.46114 -72.02913 1000.21348 2235.0000 -77.25196 -73.79510 3.45686 2.33757 -73.30041 889.55156 2240.0000 -76.57152 -72.72858 3.84295 2.35365 -73.13498 922.14225 2245.0000 -77.62654 -74.42377 3.20276 2.27030 -73.99256 850.99877 2250.0000 -78.04257 -73.66072 4.38185 2.23930 -74.31146 817.81812 FREEZING PROCESS: loop number 10 T-loop= 850.00000000000000 main_MD> interactions number 10 at Temperature= 850.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.65201 1.64207 0.36044 force_rgl> df(natom) -4.21659 0.14509 2.43106 2255.0000 -78.19341 -75.10245 3.09097 2.20481 -74.66630 809.42510 2260.0000 -77.68979 -74.34013 3.34966 2.25007 -74.20066 824.56542 2265.0000 -78.46178 -74.27539 4.18640 2.21971 -74.51304 766.04241 2270.0000 -76.92390 -73.61271 3.31119 2.25469 -74.15311 836.84988 2275.0000 -76.95309 -72.60675 4.34634 2.30699 -73.61500 850.05063 2280.0000 -77.03423 -73.92806 3.10618 2.32229 -73.45763 879.85930 2285.0000 -76.34632 -73.00188 3.34445 2.30959 -73.58831 840.81682 2290.0000 -77.69196 -74.30044 3.39153 2.33245 -73.35309 821.75262 2295.0000 -76.99539 -73.21576 3.77963 2.36920 -72.97506 953.88679 2300.0000 -77.46311 -73.64474 3.81837 2.32667 -73.41260 858.48814 2305.0000 -77.73109 -73.88834 3.84276 2.29865 -73.70088 836.95575 2310.0000 -76.89133 -72.96442 3.92691 2.26621 -74.03463 838.03481 2315.0000 -77.44910 -74.92582 2.52327 2.26735 -74.02289 855.49866 2320.0000 -78.20719 -75.06172 3.14546 2.19485 -74.76877 794.49484 2325.0000 -76.71533 -73.84128 2.87406 2.17082 -75.01599 767.98496 2330.0000 -77.81787 -73.84673 3.97114 2.30381 -73.64773 878.75536 2335.0000 -78.10732 -75.35006 2.75726 2.20317 -74.68319 766.90464 2340.0000 -77.84168 -74.46026 3.38142 2.18631 -74.85668 755.86120 2345.0000 -77.24983 -73.49193 3.75790 2.29994 -73.68756 863.47915 2350.0000 -78.29808 -74.56308 3.73500 2.27771 -73.91628 876.96323 2355.0000 -77.37887 -72.67991 4.69895 2.30918 -73.59249 876.15026 2360.0000 -76.38292 -72.83145 3.55147 2.39986 -72.65955 913.22575 2365.0000 -77.88525 -73.51080 4.37445 2.33480 -73.32898 880.35912 2370.0000 -76.05299 -72.63109 3.42190 2.39523 -72.70718 916.27495 2375.0000 -77.73515 -73.61288 4.12227 2.33139 -73.36398 838.20492 2380.0000 -78.48612 -74.38227 4.10385 2.26355 -74.06200 804.07002 2385.0000 -76.58662 -71.77365 4.81297 2.35434 -73.12790 908.54938 2390.0000 -76.88085 -73.50056 3.38029 2.41385 -72.51563 948.27017 2395.0000 -76.78619 -72.79195 3.99423 2.37221 -72.94400 934.36241 2400.0000 -77.33111 -72.67335 4.65776 2.36209 -73.04813 871.48192 2405.0000 -76.74813 -72.75784 3.99030 2.32183 -73.46232 860.40844 2410.0000 -77.19595 -74.52055 2.67540 2.31896 -73.49190 841.99507 2415.0000 -77.70092 -74.55453 3.14638 2.22740 -74.43386 809.01850 2420.0000 -77.61820 -74.59860 3.01961 2.19240 -74.79401 754.59856 2425.0000 -77.30683 -73.94906 3.35777 2.21956 -74.51455 797.95206 2430.0000 -78.26542 -74.91353 3.35189 2.21444 -74.56723 813.86266 2435.0000 -78.34284 -75.59954 2.74330 2.14847 -75.24595 714.15200 2440.0000 -78.21122 -74.37788 3.83334 2.14643 -75.26689 731.25851 2445.0000 -78.45398 -74.87325 3.58073 2.24278 -74.27570 798.21902 2450.0000 -78.27597 -74.87186 3.40411 2.15488 -75.17997 714.07368 2455.0000 -76.82878 -73.80146 3.02731 2.17175 -75.00639 745.87226 2460.0000 -77.54337 -74.82508 2.71829 2.23802 -74.32466 766.86380 2465.0000 -77.68988 -73.81385 3.87604 2.24379 -74.26527 779.41876 2470.0000 -77.53760 -73.69792 3.83968 2.32517 -73.42805 840.88894 2475.0000 -77.10584 -74.08848 3.01736 2.28722 -73.81844 812.65667 2480.0000 -77.79453 -74.23366 3.56087 2.25793 -74.11980 820.79153 2485.0000 -78.16139 -74.48438 3.67701 2.26388 -74.05854 866.35097 2490.0000 -76.48054 -72.46897 4.01157 2.31630 -73.51922 862.45788 2495.0000 -77.51717 -73.08835 4.42882 2.41208 -72.53388 926.28757 2500.0000 -77.40469 -73.00881 4.39588 2.33623 -73.31418 847.90440 FREEZING PROCESS: loop number 11 T-loop= 825.00000000000000 main_MD> interactions number 11 at Temperature= 825.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.70016 0.51179 -1.25843 force_rgl> df(natom) -0.62718 -0.52090 -0.02738 2505.0000 -78.11160 -74.80903 3.30258 2.24521 -74.25063 816.85519 2510.0000 -78.20183 -74.49211 3.70972 2.16882 -75.03657 777.23411 2515.0000 -77.97453 -74.82708 3.14745 2.16748 -75.05035 767.49007 2520.0000 -77.56411 -73.99587 3.56823 2.23901 -74.31445 770.89353 2525.0000 -76.49957 -72.15979 4.33978 2.36133 -73.05602 921.59824 2530.0000 -76.54023 -72.41441 4.12582 2.42160 -72.43586 955.61182 2535.0000 -77.21014 -73.80662 3.40351 2.31680 -73.51407 869.49390 2540.0000 -79.10203 -75.23465 3.86737 2.21006 -74.61228 786.44344 2545.0000 -77.44318 -74.42066 3.02252 2.14295 -75.30270 717.65107 2550.0000 -76.82491 -74.01422 2.81069 2.21481 -74.56338 772.73036 2555.0000 -77.25851 -73.06551 4.19300 2.28598 -73.83122 814.65938 2560.0000 -76.94451 -73.64752 3.29699 2.32830 -73.39577 895.17888 2565.0000 -78.31016 -74.85620 3.45396 2.27804 -73.91285 829.86122 2570.0000 -78.23903 -74.87147 3.36756 2.18522 -74.86782 793.30111 2575.0000 -77.55383 -74.03296 3.52088 2.25184 -74.18244 807.34500 2580.0000 -76.83696 -72.83457 4.00239 2.24846 -74.21725 806.71294 2585.0000 -77.19168 -72.95676 4.23492 2.35566 -73.11435 901.02075 2590.0000 -76.02896 -73.02493 3.00403 2.42510 -72.39992 930.94147 2595.0000 -76.52309 -73.18747 3.33563 2.31740 -73.50799 856.64915 2600.0000 -77.40745 -73.35272 4.05473 2.34645 -73.20907 916.40964 2605.0000 -75.61380 -72.56581 3.04799 2.27980 -73.89483 843.35090 2610.0000 -77.89159 -74.85292 3.03867 2.32414 -73.43865 812.30931 2615.0000 -78.53107 -75.24146 3.28961 2.20012 -74.71456 795.77096 2620.0000 -77.79292 -74.29814 3.49478 2.23608 -74.34462 767.24139 2625.0000 -78.22375 -74.39635 3.82740 2.23347 -74.37141 815.84412 2630.0000 -76.78820 -73.40723 3.38097 2.33376 -73.33960 867.93132 2635.0000 -76.99350 -73.26470 3.72880 2.34609 -73.21276 952.40009 2640.0000 -76.40410 -73.03713 3.36697 2.27526 -73.94146 856.17802 2645.0000 -77.63885 -73.32009 4.31876 2.33329 -73.34451 846.51873 2650.0000 -76.83950 -73.52238 3.31712 2.36158 -73.05343 869.53488 2655.0000 -77.01914 -73.04244 3.97670 2.36525 -73.01561 868.85192 2660.0000 -76.74358 -73.14250 3.60108 2.33846 -73.29130 901.22136 2665.0000 -77.94699 -74.25502 3.69197 2.27690 -73.92462 806.37460 2670.0000 -77.56038 -73.89722 3.66316 2.23629 -74.34238 826.86851 2675.0000 -77.89947 -73.92529 3.97418 2.25201 -74.18065 871.27311 2680.0000 -77.63986 -74.75318 2.88669 2.17821 -74.94000 734.80570 2685.0000 -77.59225 -73.96877 3.62348 2.24892 -74.21249 799.46331 2690.0000 -77.26427 -74.30806 2.95621 2.24698 -74.23240 795.90325 2695.0000 -78.28644 -75.69444 2.59200 2.15747 -75.15336 674.87356 2700.0000 -78.04227 -75.45968 2.58259 2.09141 -75.83298 654.43856 2705.0000 -79.06189 -75.51365 3.54824 2.10780 -75.66436 709.46974 2710.0000 -77.83068 -74.09254 3.73814 2.14880 -75.24253 701.26460 2715.0000 -77.24388 -74.65241 2.59147 2.24774 -74.22464 819.44600 2720.0000 -77.42570 -73.77124 3.65446 2.30613 -73.62390 824.91385 2725.0000 -77.84970 -74.78277 3.06693 2.25482 -74.15180 760.85534 2730.0000 -78.38840 -74.32763 4.06077 2.25589 -74.14081 823.99763 2735.0000 -78.15333 -74.67823 3.47510 2.22539 -74.45462 823.84882 2740.0000 -77.71955 -74.10431 3.61524 2.27033 -73.99223 791.48912 2745.0000 -77.34134 -74.25885 3.08248 2.25012 -74.20010 741.86378 2750.0000 -78.04173 -74.82338 3.21835 2.24601 -74.24241 771.72903 FREEZING PROCESS: loop number 12 T-loop= 800.00000000000000 main_MD> interactions number 12 at Temperature= 800.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -3.54824 2.89261 -0.34441 force_rgl> df(natom) -0.79363 0.60927 1.20116 2755.0000 -77.85289 -75.25100 2.60189 2.17655 -74.95701 761.39498 2760.0000 -77.41482 -75.06538 2.34944 2.15799 -75.14803 764.60815 2765.0000 -78.61753 -74.63015 3.98737 2.13652 -75.36886 747.70330 2770.0000 -78.37617 -75.24716 3.12902 2.14097 -75.32313 741.94207 2775.0000 -77.44885 -74.49248 2.95636 2.18318 -74.88887 758.07925 2780.0000 -78.61405 -75.10049 3.51356 2.19015 -74.81708 767.44696 2785.0000 -78.10789 -74.33379 3.77410 2.24299 -74.27350 843.45574 2790.0000 -76.65825 -73.22280 3.43545 2.31615 -73.52078 878.37606 2795.0000 -77.12719 -73.60176 3.52543 2.34502 -73.22379 882.07397 2800.0000 -77.04299 -73.72858 3.31441 2.31830 -73.49873 818.77260 2805.0000 -78.29026 -74.51216 3.77811 2.26892 -74.00672 801.36205 2810.0000 -78.11219 -75.18887 2.92332 2.20986 -74.61433 774.34141 2815.0000 -77.82058 -74.59223 3.22835 2.18527 -74.86735 760.69661 2820.0000 -77.80151 -73.56973 4.23177 2.23361 -74.37004 807.61187 2825.0000 -77.83690 -75.34038 2.49653 2.25243 -74.17634 833.31248 2830.0000 -77.99036 -75.25142 2.73894 2.23395 -74.36645 818.81671 2835.0000 -78.33643 -75.75535 2.58108 2.11487 -75.59165 717.43163 2840.0000 -78.29048 -75.10226 3.18821 2.15233 -75.20627 765.51989 2845.0000 -77.03097 -73.70222 3.32876 2.24461 -74.25684 793.12280 2850.0000 -77.58056 -73.81947 3.76109 2.30917 -73.59260 835.74940 2855.0000 -77.50658 -73.86966 3.63693 2.28926 -73.79743 849.13581 2860.0000 -77.66994 -73.84458 3.82537 2.28199 -73.87226 820.10960 2865.0000 -76.75964 -73.38447 3.37518 2.31998 -73.48137 841.48040 2870.0000 -77.05814 -74.42460 2.63354 2.29932 -73.69397 858.40423 2875.0000 -78.15719 -74.32723 3.82996 2.25927 -74.10605 839.37990 2880.0000 -78.44981 -74.06179 4.38802 2.24342 -74.26904 832.99377 2885.0000 -77.76173 -74.64576 3.11597 2.25996 -74.09894 802.57998 2890.0000 -78.13641 -75.02184 3.11457 2.16437 -75.08240 721.95168 2895.0000 -78.30778 -75.28588 3.02190 2.13843 -75.34921 702.65307 2900.0000 -77.73152 -74.88039 2.85113 2.17388 -74.98452 727.14158 2905.0000 -77.73944 -74.58281 3.15662 2.22157 -74.49386 844.28117 2910.0000 -77.88279 -75.22615 2.65664 2.21256 -74.58656 825.98161 2915.0000 -78.40022 -75.10613 3.29409 2.17049 -75.01937 746.23912 2920.0000 -77.48929 -74.94963 2.53966 2.17761 -74.94615 704.52808 2925.0000 -78.33999 -75.49898 2.84101 2.21245 -74.58772 801.42910 2930.0000 -77.81376 -74.22610 3.58766 2.16467 -75.07933 758.94443 2935.0000 -78.21136 -75.35200 2.85935 2.17956 -74.92604 708.82635 2940.0000 -78.50415 -75.16783 3.33632 2.13183 -75.41715 673.38356 2945.0000 -77.52073 -73.78674 3.73399 2.13143 -75.42129 725.18018 2950.0000 -78.20073 -74.79134 3.40938 2.23386 -74.36747 827.84457 2955.0000 -78.30828 -74.82399 3.48428 2.22623 -74.44589 744.72933 2960.0000 -77.96591 -74.38155 3.58436 2.20898 -74.62344 785.12877 2965.0000 -79.06191 -76.04425 3.01765 2.15946 -75.13291 726.27633 2970.0000 -78.89941 -75.17061 3.72881 2.11386 -75.60205 701.81913 2975.0000 -78.20613 -75.17269 3.03344 2.11435 -75.59701 702.03899 2980.0000 -78.85610 -75.99935 2.85675 2.11714 -75.56830 680.96952 2985.0000 -79.07128 -75.47990 3.59138 2.07126 -76.04030 671.47208 2990.0000 -77.75425 -74.12001 3.63424 2.18963 -74.82251 760.86171 2995.0000 -78.77883 -75.55648 3.22235 2.20951 -74.61796 776.66745 3000.0000 -79.08354 -75.67423 3.40931 2.10052 -75.73930 678.79750 FREEZING PROCESS: loop number 13 T-loop= 775.00000000000000 main_MD> interactions number 13 at Temperature= 775.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.73633 0.69957 -0.12812 force_rgl> df(natom) 0.29988 0.90701 0.32590 3005.0000 -78.42612 -75.02569 3.40044 2.13832 -75.35039 727.67995 3010.0000 -78.80661 -76.36790 2.43871 2.13265 -75.40868 702.52153 3015.0000 -78.92489 -75.77653 3.14836 2.05995 -76.15671 658.00675 3020.0000 -78.51547 -75.76836 2.74711 2.08560 -75.89280 661.02798 3025.0000 -79.28514 -76.10483 3.18031 2.11142 -75.62709 735.55875 3030.0000 -79.17917 -75.95534 3.22383 2.07002 -76.05302 661.83552 3035.0000 -77.70100 -74.68190 3.01909 2.15415 -75.18753 747.93900 3040.0000 -78.54154 -74.95201 3.58953 2.21275 -74.58458 789.90856 3045.0000 -78.66118 -75.39621 3.26497 2.19383 -74.77928 768.62279 3050.0000 -78.13608 -75.10667 3.02941 2.17444 -74.97871 721.81894 3055.0000 -78.20513 -74.56022 3.64491 2.20532 -74.66107 735.52053 3060.0000 -78.18186 -74.31959 3.86227 2.27054 -73.99010 867.54670 3065.0000 -77.52616 -74.86514 2.66102 2.24409 -74.26221 818.42240 3070.0000 -78.69190 -75.14788 3.54402 2.16741 -75.05107 741.89554 3075.0000 -77.46264 -74.34282 3.11982 2.22850 -74.42261 832.97705 3080.0000 -78.95677 -75.02091 3.93586 2.18431 -74.87720 744.30145 3085.0000 -78.70746 -74.94825 3.75921 2.18890 -74.83001 738.48460 3090.0000 -78.05897 -75.05734 3.00163 2.22865 -74.42102 816.16224 3095.0000 -78.72039 -75.49916 3.22123 2.14486 -75.28313 722.64521 3100.0000 -78.68695 -75.92899 2.75796 2.07177 -76.03504 668.39531 3105.0000 -78.73734 -75.56531 3.17204 2.11484 -75.59191 690.10310 3110.0000 -77.02108 -74.20920 2.81188 2.26179 -74.08009 810.06393 3115.0000 -77.08666 -73.49545 3.59121 2.29232 -73.76594 842.90272 3120.0000 -77.73986 -74.67778 3.06208 2.32674 -73.41190 902.88260 3125.0000 -77.42752 -73.21932 4.20820 2.30944 -73.58986 843.96987 3130.0000 -77.07552 -73.98197 3.09355 2.25917 -74.10705 782.24438 3135.0000 -78.31379 -74.85932 3.45447 2.25073 -74.19383 801.02655 3140.0000 -79.98011 -76.48897 3.49114 2.11334 -75.60741 694.98098 3145.0000 -79.10418 -75.66633 3.43786 2.07291 -76.02332 707.70432 3150.0000 -77.75597 -74.50672 3.24925 2.14109 -75.32185 741.44607 3155.0000 -77.57626 -74.08120 3.49505 2.20266 -74.68848 773.18784 3160.0000 -78.51615 -75.01060 3.50555 2.22727 -74.43519 813.91129 3165.0000 -78.15890 -74.34689 3.81200 2.17489 -74.97411 742.48039 3170.0000 -78.92728 -75.98543 2.94185 2.12036 -75.53519 716.66869 3175.0000 -78.20228 -74.87074 3.33154 2.08329 -75.91658 679.99211 3180.0000 -77.99857 -74.78474 3.21383 2.17317 -74.99186 733.19583 3185.0000 -77.94128 -75.18492 2.75636 2.21249 -74.58725 767.69838 3190.0000 -78.52994 -75.42492 3.10503 2.14149 -75.31780 703.73183 3195.0000 -78.10396 -74.53177 3.57219 2.24926 -74.20895 854.67550 3200.0000 -77.54752 -73.58491 3.96261 2.30289 -73.65726 847.66181 3205.0000 -78.07560 -74.73275 3.34285 2.24646 -74.23776 805.03568 3210.0000 -77.10286 -73.41008 3.69278 2.27786 -73.91475 858.22373 3215.0000 -77.25978 -73.97002 3.28976 2.23236 -74.38291 803.31109 3220.0000 -77.27494 -74.02311 3.25183 2.30125 -73.67412 828.31060 3225.0000 -78.22330 -75.22758 2.99572 2.16147 -75.11224 740.65665 3230.0000 -78.16230 -74.89486 3.26744 2.20701 -74.64367 773.62024 3235.0000 -78.43287 -74.28970 4.14317 2.18591 -74.86074 748.55267 3240.0000 -77.54481 -74.39588 3.14893 2.31945 -73.48686 887.28802 3245.0000 -76.81731 -74.59152 2.22579 2.23124 -74.39435 837.60543 3250.0000 -77.88724 -74.62766 3.25958 2.25469 -74.15309 786.80508 FREEZING PROCESS: loop number 14 T-loop= 750.00000000000000 main_MD> interactions number 14 at Temperature= 750.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.16470 2.42997 -3.99201 force_rgl> df(natom) -1.59426 -0.12408 -0.33273 3255.0000 -78.30833 -75.51528 2.79305 2.14005 -75.33260 694.56343 3260.0000 -78.62493 -76.15594 2.46900 2.08727 -75.87558 699.18618 3265.0000 -77.55704 -73.85261 3.70444 2.20285 -74.68649 778.79171 3270.0000 -77.55216 -73.54566 4.00650 2.24184 -74.28528 784.38697 3275.0000 -77.66619 -74.84135 2.82484 2.19406 -74.77686 796.76104 3280.0000 -77.74146 -74.77000 2.97146 2.17304 -74.99317 755.89551 3285.0000 -78.46666 -74.72751 3.73915 2.23745 -74.33045 775.99652 3290.0000 -79.41171 -76.17283 3.23889 2.13155 -75.42003 720.39183 3295.0000 -78.95657 -75.60484 3.35173 2.06034 -76.15265 654.31347 3300.0000 -78.62228 -75.55257 3.06971 2.16001 -75.12725 741.84119 3305.0000 -77.98086 -74.20597 3.77490 2.14799 -75.25091 718.48930 3310.0000 -76.75941 -73.98861 2.77080 2.23949 -74.30946 713.89358 3315.0000 -78.96626 -76.15233 2.81393 2.17996 -74.92195 709.68757 3320.0000 -79.06691 -75.99858 3.06833 2.07245 -76.02810 672.48146 3325.0000 -79.18351 -75.77268 3.41082 2.09802 -75.76503 695.25408 3330.0000 -78.54023 -76.29501 2.24522 2.05485 -76.20917 626.03162 3335.0000 -78.50272 -76.18590 2.31682 2.06399 -76.11510 625.30335 3340.0000 -78.98280 -75.84936 3.13344 2.07892 -75.96147 656.49654 3345.0000 -78.37103 -75.88141 2.48962 2.08871 -75.86082 666.88109 3350.0000 -78.02287 -75.14224 2.88063 2.14138 -75.31885 708.52500 3355.0000 -78.13469 -74.64366 3.49103 2.15965 -75.13093 732.34963 3360.0000 -77.41655 -74.26967 3.14688 2.20979 -74.61502 760.39172 3365.0000 -78.66757 -75.76605 2.90153 2.12419 -75.49578 670.76506 3370.0000 -78.63888 -75.11348 3.52540 2.15632 -75.16515 691.59050 3375.0000 -78.24356 -74.56111 3.68245 2.23524 -74.35321 791.85802 3380.0000 -77.56303 -75.55477 2.00826 2.19500 -74.76720 734.22152 3385.0000 -77.64375 -74.32605 3.31770 2.18496 -74.87052 774.46708 3390.0000 -76.95183 -73.98565 2.96618 2.22914 -74.41603 754.27687 3395.0000 -77.93298 -74.83350 3.09948 2.19369 -74.78070 742.35264 3400.0000 -78.88571 -76.26437 2.62134 2.10658 -75.67694 678.92920 3405.0000 -78.52570 -75.26921 3.25649 2.11812 -75.55825 733.95621 3410.0000 -78.76264 -75.90947 2.85317 2.09921 -75.75278 678.97857 3415.0000 -78.03624 -74.59569 3.44055 2.15267 -75.20277 740.55097 3420.0000 -76.81766 -73.56876 3.24890 2.28419 -73.84967 861.64992 3425.0000 -77.20692 -73.31762 3.88930 2.28677 -73.82312 874.99439 3430.0000 -76.53711 -73.29142 3.24569 2.37239 -72.94219 922.28074 3435.0000 -78.05651 -72.88741 5.16910 2.32418 -73.43822 891.30369 3440.0000 -78.19149 -74.96700 3.22449 2.25285 -74.17203 834.13222 3445.0000 -78.17039 -75.79328 2.37711 2.16029 -75.12436 718.42137 3450.0000 -78.15293 -74.47958 3.67335 2.22526 -74.45592 802.50977 3455.0000 -77.48014 -74.40303 3.07711 2.25176 -74.18327 786.29597 3460.0000 -77.57821 -74.07140 3.50682 2.20331 -74.68171 766.37602 3465.0000 -78.39754 -74.80619 3.59135 2.26751 -74.02127 825.31966 3470.0000 -78.15874 -75.16052 2.99822 2.16330 -75.09334 690.43012 3475.0000 -77.50447 -74.29996 3.20451 2.25729 -74.12637 813.01482 3480.0000 -77.84625 -74.45951 3.38674 2.23826 -74.32218 781.01723 3485.0000 -77.45144 -74.57278 2.87866 2.22221 -74.48728 788.96825 3490.0000 -77.59976 -74.72335 2.87641 2.18907 -74.82821 751.03565 3495.0000 -78.81095 -75.07660 3.73435 2.17180 -75.00593 742.20090 3500.0000 -79.04661 -75.81992 3.22670 2.13571 -75.37721 717.00265 FREEZING PROCESS: loop number 15 T-loop= 725.00000000000000 main_MD> interactions number 15 at Temperature= 725.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.38717 -1.72041 -2.01895 force_rgl> df(natom) 1.17659 0.97683 -0.65983 3505.0000 -77.72716 -74.15559 3.57157 2.19098 -74.80858 772.41042 3510.0000 -79.17726 -75.06667 4.11059 2.23966 -74.30778 826.62781 3515.0000 -77.31816 -74.11209 3.20607 2.22981 -74.40907 794.08336 3520.0000 -79.03645 -75.75916 3.27729 2.20189 -74.69638 767.93690 3525.0000 -79.12936 -76.24240 2.88696 2.08646 -75.88388 682.83911 3530.0000 -79.01918 -76.35559 2.66360 2.05734 -76.18347 650.63523 3535.0000 -78.87264 -75.41923 3.45342 2.14001 -75.33302 707.61101 3540.0000 -78.89922 -76.21688 2.68233 2.04658 -76.29420 615.39387 3545.0000 -78.29015 -75.02528 3.26487 2.14484 -75.28328 710.93526 3550.0000 -77.92762 -75.13992 2.78770 2.15574 -75.17115 719.92122 3555.0000 -78.28958 -74.92719 3.36238 2.21604 -74.55082 788.14315 3560.0000 -78.85153 -75.07798 3.77355 2.14609 -75.27047 728.44843 3565.0000 -78.87204 -76.37213 2.49991 2.08734 -75.87484 691.62792 3570.0000 -78.81705 -76.22690 2.59015 2.01884 -76.57959 595.88654 3575.0000 -79.00261 -75.97339 3.02923 2.03851 -76.37722 656.59365 3580.0000 -78.78459 -75.79158 2.99301 2.09310 -75.81563 692.93890 3585.0000 -77.81314 -75.25752 2.55561 2.15891 -75.13851 753.48116 3590.0000 -78.42642 -76.35968 2.06675 2.07696 -75.98169 665.81691 3595.0000 -78.11669 -75.37076 2.74593 2.09952 -75.74959 674.19789 3600.0000 -78.07813 -75.28530 2.79283 2.17069 -75.01730 709.82826 3605.0000 -78.07365 -74.74241 3.33124 2.18343 -74.88628 725.02075 3610.0000 -77.80498 -75.01940 2.78557 2.18992 -74.81947 759.15260 3615.0000 -77.14333 -74.47000 2.67334 2.20199 -74.69529 742.40434 3620.0000 -77.42945 -73.77281 3.65665 2.23161 -74.39061 720.02099 3625.0000 -78.59608 -75.17829 3.41778 2.21620 -74.54907 749.04160 3630.0000 -77.64502 -75.11734 2.52767 2.15328 -75.19650 695.98491 3635.0000 -78.22251 -75.35986 2.86265 2.13443 -75.39042 702.67259 3640.0000 -78.61035 -75.31140 3.29895 2.15469 -75.18197 736.17746 3645.0000 -78.88342 -76.19331 2.69011 2.10824 -75.65986 704.59650 3650.0000 -78.85545 -75.86248 2.99297 2.06781 -76.07582 651.36135 3655.0000 -77.80949 -74.87637 2.93312 2.16702 -75.05512 729.05402 3660.0000 -77.57313 -74.65065 2.92248 2.19774 -74.73904 706.17625 3665.0000 -77.27312 -74.43934 2.83378 2.19275 -74.79036 698.48066 3670.0000 -77.69574 -74.03021 3.66553 2.21449 -74.56673 762.50496 3675.0000 -77.43922 -74.47184 2.96738 2.22620 -74.44623 765.33105 3680.0000 -78.10661 -74.84298 3.26363 2.20114 -74.70405 748.94217 3685.0000 -77.84193 -74.04246 3.79947 2.22795 -74.42819 825.33315 3690.0000 -79.27964 -76.01141 3.26823 2.15995 -75.12786 748.86297 3695.0000 -77.92427 -75.36326 2.56101 2.07711 -75.98014 655.99491 3700.0000 -78.14799 -75.08051 3.06748 2.13989 -75.33425 694.77711 3705.0000 -79.38003 -75.67501 3.70502 2.14002 -75.33285 738.64949 3710.0000 -79.33268 -76.18503 3.14765 2.09482 -75.79788 695.72783 3715.0000 -78.72468 -76.53179 2.19289 2.02392 -76.52730 633.99657 3720.0000 -78.58543 -75.65695 2.92849 2.07866 -75.96413 632.31539 3725.0000 -78.61553 -75.54141 3.07412 2.09122 -75.83496 667.85943 3730.0000 -78.86486 -75.68691 3.17795 2.13221 -75.41321 676.43899 3735.0000 -78.69581 -75.44980 3.24602 2.16929 -75.03174 751.34427 3740.0000 -78.00188 -74.63054 3.37134 2.14133 -75.31938 711.59527 3745.0000 -77.82795 -75.01365 2.81430 2.20089 -74.70664 730.93986 3750.0000 -77.92001 -74.97519 2.94482 2.19720 -74.74461 773.95300 FREEZING PROCESS: loop number 16 T-loop= 700.00000000000000 main_MD> interactions number 16 at Temperature= 700.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.84892 -2.41683 -2.10379 force_rgl> df(natom) 0.17664 1.91277 -0.40289 3755.0000 -78.95475 -75.75450 3.20026 2.10083 -75.73608 708.76878 3760.0000 -78.66329 -75.51365 3.14964 2.15009 -75.22933 741.77746 3765.0000 -78.67497 -75.72988 2.94509 2.12509 -75.48646 670.92218 3770.0000 -78.51813 -74.92238 3.59574 2.14484 -75.28326 730.97299 3775.0000 -78.38552 -75.12857 3.25696 2.15325 -75.19682 744.38444 3780.0000 -79.02201 -75.87862 3.14339 2.06355 -76.11961 630.33040 3785.0000 -78.55139 -76.26623 2.28516 2.05109 -76.24785 638.48657 3790.0000 -77.70769 -74.40970 3.29799 2.16608 -75.06481 746.96349 3795.0000 -77.44949 -74.55479 2.89470 2.20992 -74.61374 767.21220 3800.0000 -78.54272 -75.04683 3.49589 2.26397 -74.05764 831.71927 3805.0000 -78.90750 -75.05849 3.84902 2.12259 -75.51220 666.53736 3810.0000 -78.94824 -75.79721 3.15103 2.14305 -75.30172 738.31665 3815.0000 -78.35422 -75.15025 3.20397 2.16128 -75.11416 723.65929 3820.0000 -78.70704 -76.14805 2.55900 2.15150 -75.21478 744.43629 3825.0000 -77.91881 -74.48573 3.43308 2.14923 -75.23808 721.03308 3830.0000 -77.88131 -75.00646 2.87485 2.19235 -74.79452 754.57865 3835.0000 -77.50038 -74.55915 2.94123 2.19763 -74.74021 776.15864 3840.0000 -78.43265 -75.46518 2.96747 2.16563 -75.06937 741.71986 3845.0000 -78.63011 -74.84649 3.78361 2.11397 -75.60086 714.30519 3850.0000 -78.94356 -76.13225 2.81131 2.14806 -75.25018 737.99996 3855.0000 -78.79596 -75.83398 2.96198 2.06202 -76.13540 651.81945 3860.0000 -78.08435 -74.87846 3.20589 2.15914 -75.13613 734.13002 3865.0000 -78.12028 -75.25938 2.86090 2.16809 -75.04408 746.70690 3870.0000 -78.57154 -75.61052 2.96102 2.15726 -75.15554 748.70846 3875.0000 -78.27585 -75.20170 3.07414 2.12039 -75.53481 682.77615 3880.0000 -78.02082 -75.48797 2.53285 2.13776 -75.35609 691.03491 3885.0000 -78.41804 -75.62015 2.79790 2.12661 -75.47089 698.07469 3890.0000 -78.68247 -75.91112 2.77135 2.11729 -75.56668 712.16498 3895.0000 -78.23180 -74.87856 3.35324 2.15408 -75.18821 729.18948 3900.0000 -77.71390 -74.53139 3.18251 2.25102 -74.19093 790.94549 3905.0000 -78.36838 -75.32081 3.04756 2.18836 -74.83558 757.00543 3910.0000 -77.56366 -75.32272 2.24093 2.14208 -75.31173 692.75577 3915.0000 -78.54078 -75.13119 3.40959 2.15827 -75.14517 697.87412 3920.0000 -77.76927 -74.86367 2.90560 2.12702 -75.46664 655.31455 3925.0000 -78.24383 -75.27477 2.96907 2.17399 -74.98335 723.01601 3930.0000 -78.52787 -75.72713 2.80074 2.11242 -75.61681 680.83266 3935.0000 -78.54546 -75.67439 2.87107 2.10196 -75.72442 671.37444 3940.0000 -78.94517 -75.95336 2.99181 2.06907 -76.06286 630.73475 3945.0000 -78.81415 -75.74345 3.07070 2.06941 -76.05930 677.45310 3950.0000 -78.22896 -75.65376 2.57520 2.11753 -75.56431 719.26070 3955.0000 -78.22671 -75.03688 3.18983 2.15050 -75.22507 759.32707 3960.0000 -78.64158 -75.98168 2.65990 2.10185 -75.72557 689.13558 3965.0000 -78.86676 -75.97099 2.89577 2.06619 -76.09245 672.09421 3970.0000 -78.61271 -75.87062 2.74209 2.07367 -76.01554 662.75264 3975.0000 -78.31470 -75.33488 2.97981 2.14831 -75.24763 717.36935 3980.0000 -78.89871 -75.73046 3.16825 2.15968 -75.13061 710.65502 3985.0000 -78.24434 -74.89240 3.35193 2.15422 -75.18677 739.07443 3990.0000 -77.99764 -75.50043 2.49721 2.14047 -75.32828 738.58973 3995.0000 -78.71159 -76.19804 2.51355 2.04358 -76.32505 624.20181 4000.0000 -78.79886 -75.77863 3.02022 2.09103 -75.83690 669.13898 FREEZING PROCESS: loop number 17 T-loop= 675.00000000000000 main_MD> interactions number 17 at Temperature= 675.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.01748 1.20269 0.27451 force_rgl> df(natom) 4.24273 -2.51882 -4.16690 4005.0000 -78.90191 -76.28144 2.62047 2.03136 -76.45080 648.96173 4010.0000 -79.09624 -76.10328 2.99297 2.07140 -76.03891 657.35350 4015.0000 -77.95233 -75.85501 2.09733 2.08130 -75.93702 693.47197 4020.0000 -79.04024 -76.11791 2.92233 2.02480 -76.51829 612.45026 4025.0000 -78.92946 -76.28618 2.64329 2.08834 -75.86459 688.75207 4030.0000 -78.82901 -75.23555 3.59346 2.14882 -75.24230 716.64114 4035.0000 -79.11815 -75.99680 3.12135 2.09212 -75.82569 686.96333 4040.0000 -78.78604 -75.98512 2.80092 2.08453 -75.90382 674.30977 4045.0000 -77.53487 -75.54991 1.98496 2.10709 -75.67172 683.25827 4050.0000 -78.48723 -75.35618 3.13105 2.12237 -75.51445 663.62365 4055.0000 -79.08940 -75.86059 3.22882 2.13696 -75.36434 719.66277 4060.0000 -78.34100 -76.06347 2.27753 2.07261 -76.02645 674.75544 4065.0000 -78.34754 -76.32686 2.02068 2.08870 -75.86084 596.01186 4070.0000 -79.02188 -75.96513 3.05675 2.02594 -76.50652 603.51819 4075.0000 -79.35762 -76.70777 2.64985 2.10189 -75.72519 680.92825 4080.0000 -78.48292 -75.99510 2.48783 2.02966 -76.46834 601.76504 4085.0000 -78.15509 -74.79765 3.35745 2.13042 -75.43168 694.38697 4090.0000 -78.45687 -75.97107 2.48580 2.09495 -75.79662 687.56234 4095.0000 -78.52211 -75.33708 3.18503 2.11263 -75.61465 712.23398 4100.0000 -77.49517 -74.77164 2.72353 2.15698 -75.15842 747.76409 4105.0000 -78.61756 -75.66798 2.94957 2.16912 -75.03345 759.52162 4110.0000 -79.22985 -76.12826 3.10159 2.04040 -76.35775 652.63970 4115.0000 -79.67479 -77.42242 2.25236 2.01559 -76.61301 617.30061 4120.0000 -79.13600 -76.40881 2.72719 1.99596 -76.81502 585.66009 4125.0000 -79.62822 -76.93052 2.69770 1.99764 -76.79773 611.86351 4130.0000 -79.52475 -77.12564 2.39911 1.99710 -76.80328 598.06595 4135.0000 -78.95939 -76.22039 2.73900 1.99640 -76.81052 578.57706 4140.0000 -79.59446 -77.12872 2.46575 2.03806 -76.38184 637.59700 4145.0000 -78.27027 -76.14358 2.12669 2.00586 -76.71316 580.61882 4150.0000 -79.08527 -76.14900 2.93627 2.05191 -76.23940 600.77463 4155.0000 -79.69615 -76.47080 3.22535 2.05190 -76.23946 657.81522 4160.0000 -79.76135 -76.74589 3.01546 2.02690 -76.49670 642.73543 4165.0000 -79.01784 -76.25859 2.75925 2.00800 -76.69118 616.62442 4170.0000 -78.66949 -76.33563 2.33386 2.05765 -76.18034 657.43780 4175.0000 -79.07744 -76.71603 2.36140 2.03182 -76.44606 633.67746 4180.0000 -78.17650 -74.94859 3.22791 2.10085 -75.73592 694.26606 4185.0000 -78.35409 -75.74276 2.61133 2.11613 -75.57863 708.50437 4190.0000 -79.42075 -76.51390 2.90685 2.08912 -75.85654 681.30210 4195.0000 -78.90876 -76.21648 2.69228 2.02271 -76.53985 611.35837 4200.0000 -79.47621 -75.89451 3.58170 2.09614 -75.78429 716.54226 4205.0000 -78.72927 -76.19458 2.53468 2.04203 -76.34099 609.92407 4210.0000 -80.02680 -77.33810 2.68870 2.02110 -76.55636 620.95222 4215.0000 -78.82180 -75.95522 2.86658 1.97424 -77.03849 573.90565 4220.0000 -78.69650 -76.30293 2.39356 2.02002 -76.56746 586.84914 4225.0000 -79.03211 -75.82020 3.21190 2.10673 -75.67541 670.80205 4230.0000 -78.94716 -76.01703 2.93013 2.07750 -75.97612 650.40076 4235.0000 -78.51391 -75.28681 3.22709 2.08612 -75.88738 680.52703 4240.0000 -79.19008 -76.30435 2.88573 2.10993 -75.64249 693.97480 4245.0000 -78.36552 -74.77267 3.59285 2.13098 -75.42585 721.00775 4250.0000 -78.33729 -75.05994 3.27735 2.23014 -74.40571 794.59036 FREEZING PROCESS: loop number 18 T-loop= 650.00000000000000 main_MD> interactions number 18 at Temperature= 650.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.19484 0.28184 -3.26042 force_rgl> df(natom) 0.04137 -0.32541 2.90760 4255.0000 -78.80565 -75.72117 3.08448 2.11947 -75.54426 722.83467 4260.0000 -78.43891 -75.35646 3.08244 2.11844 -75.55492 709.19440 4265.0000 -78.98961 -76.11030 2.87932 2.08886 -75.85922 669.54802 4270.0000 -79.14739 -75.97731 3.17008 2.07962 -75.95432 653.90473 4275.0000 -79.27040 -76.72723 2.54317 2.00345 -76.73798 588.19001 4280.0000 -79.19046 -76.91830 2.27217 1.96971 -77.08505 566.56231 4285.0000 -78.66324 -75.79728 2.86596 2.03977 -76.36424 600.45703 4290.0000 -78.69737 -75.94313 2.75424 2.09254 -75.82141 682.30408 4295.0000 -78.07941 -75.48437 2.59504 2.10397 -75.70380 711.75421 4300.0000 -79.15396 -76.41507 2.73889 2.09597 -75.78610 657.33617 4305.0000 -79.02864 -76.21004 2.81859 2.02973 -76.46757 583.61955 4310.0000 -78.19097 -74.78225 3.40872 2.16573 -75.06836 736.94335 4315.0000 -78.67601 -74.88129 3.79472 2.19616 -74.75533 761.83645 4320.0000 -78.41355 -75.43934 2.97421 2.14840 -75.24667 705.43360 4325.0000 -78.51313 -75.70449 2.80864 2.13575 -75.37681 711.62611 4330.0000 -79.48803 -77.10250 2.38554 2.08802 -75.86789 689.59543 4335.0000 -79.38437 -77.13696 2.24741 1.99921 -76.78160 623.20948 4340.0000 -79.44821 -76.89483 2.55338 1.99586 -76.81600 594.59420 4345.0000 -79.88648 -77.55527 2.33121 1.95734 -77.21239 557.49682 4350.0000 -79.44049 -76.44242 2.99807 2.02758 -76.48971 620.37604 4355.0000 -78.73783 -75.54861 3.18923 2.06339 -76.12123 665.29782 4360.0000 -79.25401 -76.91843 2.33558 2.03321 -76.43177 624.79532 4365.0000 -79.10958 -76.97023 2.13935 1.96112 -77.17341 560.62274 4370.0000 -78.99273 -76.45180 2.54092 1.97307 -77.05048 554.79422 4375.0000 -79.75138 -76.53217 3.21921 2.09484 -75.79775 689.89459 4380.0000 -78.72977 -76.63349 2.09627 2.03057 -76.45891 607.33124 4385.0000 -78.85587 -76.39446 2.46142 2.01637 -76.60506 658.11016 4390.0000 -79.30932 -76.85948 2.44984 2.02343 -76.53238 616.26446 4395.0000 -79.20701 -76.22127 2.98574 1.99748 -76.79939 611.01012 4400.0000 -79.63711 -76.90100 2.73611 2.02811 -76.48420 627.32869 4405.0000 -79.27610 -76.69194 2.58416 1.95881 -77.19721 554.47583 4410.0000 -79.80550 -77.25603 2.54946 1.98840 -76.89284 586.86108 4415.0000 -78.46518 -76.18159 2.28358 2.07071 -76.04597 673.74326 4420.0000 -79.01410 -76.28000 2.73409 2.06537 -76.10086 679.63726 4425.0000 -78.70321 -75.88721 2.81600 2.07835 -75.96733 687.06648 4430.0000 -78.79010 -75.80963 2.98046 2.07622 -75.98922 654.25459 4435.0000 -78.71491 -76.10631 2.60861 2.07049 -76.04826 659.61455 4440.0000 -79.20193 -76.20277 2.99916 2.06455 -76.10931 626.28847 4445.0000 -78.69373 -76.36404 2.32969 2.05683 -76.18873 623.21797 4450.0000 -79.35053 -76.66720 2.68333 2.04594 -76.30076 630.12344 4455.0000 -79.08599 -76.53154 2.55445 2.01676 -76.60105 605.39399 4460.0000 -79.10327 -77.07557 2.02769 1.96907 -77.09171 559.38457 4465.0000 -79.09065 -75.91572 3.17493 2.02518 -76.51442 634.27996 4470.0000 -79.09024 -76.69796 2.39229 2.04447 -76.31593 650.23926 4475.0000 -79.01158 -76.09884 2.91273 2.02960 -76.46886 621.16381 4480.0000 -78.80969 -76.15739 2.65229 2.06683 -76.08587 697.10013 4485.0000 -79.43175 -77.03524 2.39651 2.02267 -76.54021 653.44540 4490.0000 -79.18375 -76.68421 2.49954 2.01599 -76.60892 602.77010 4495.0000 -78.63077 -76.31321 2.31756 2.04721 -76.28773 650.61136 4500.0000 -78.64528 -75.55344 3.09184 2.05718 -76.18516 625.05689 FREEZING PROCESS: loop number 19 T-loop= 625.00000000000000 main_MD> interactions number 19 at Temperature= 625.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -4.41007 3.81645 0.42832 force_rgl> df(natom) 2.42675 0.16740 0.08803 4505.0000 -78.48751 -75.95172 2.53578 2.09959 -75.74884 677.13372 4510.0000 -79.01103 -75.89547 3.11556 2.05169 -76.24160 623.30554 4515.0000 -78.77632 -76.06717 2.70915 2.07227 -76.02996 665.37971 4520.0000 -79.62475 -77.63674 1.98801 1.96904 -77.09199 561.24201 4525.0000 -78.66148 -76.11937 2.54212 1.96926 -77.08968 584.37260 4530.0000 -78.13767 -74.83870 3.29897 2.08887 -75.85908 677.26942 4535.0000 -78.11844 -76.10134 2.01709 2.14284 -75.30392 740.96311 4540.0000 -78.87655 -75.55824 3.31831 2.07862 -75.96453 686.85569 4545.0000 -78.54134 -76.34206 2.19927 2.06351 -76.12001 626.71405 4550.0000 -79.47190 -76.74018 2.73172 2.01187 -76.65130 603.07755 4555.0000 -79.73804 -76.81022 2.92782 1.98200 -76.95862 587.67408 4560.0000 -79.38893 -76.73622 2.65271 2.00531 -76.71886 588.82928 4565.0000 -79.88059 -77.65692 2.22367 1.97551 -77.02537 607.96686 4570.0000 -79.41679 -77.46244 1.95435 1.93228 -77.47012 547.31714 4575.0000 -79.81653 -77.26534 2.55119 1.95129 -77.27456 528.15639 4580.0000 -79.41964 -76.96526 2.45438 1.98548 -76.92287 586.58996 4585.0000 -79.59143 -77.31165 2.27979 1.96029 -77.18195 572.68588 4590.0000 -79.69500 -77.25937 2.43563 1.91982 -77.59833 518.10394 4595.0000 -78.23595 -76.29549 1.94046 1.97702 -77.00987 579.25716 4600.0000 -79.03705 -75.77189 3.26517 2.03636 -76.39940 627.10691 4605.0000 -79.05700 -76.84161 2.21538 2.04308 -76.33023 641.24149 4610.0000 -79.26770 -75.72512 3.54258 2.10282 -75.71563 692.61651 4615.0000 -79.29841 -76.25387 3.04454 2.03628 -76.40021 646.28563 4620.0000 -78.58824 -76.16234 2.42591 2.08256 -75.92401 672.27525 4625.0000 -79.47984 -76.79274 2.68710 2.02821 -76.48319 598.86829 4630.0000 -78.82289 -75.85227 2.97063 2.05661 -76.19104 662.56024 4635.0000 -79.26012 -76.57198 2.68814 2.09229 -75.82392 673.55752 4640.0000 -78.79184 -76.92280 1.86903 1.98617 -76.91569 590.66625 4645.0000 -80.02999 -77.52190 2.50809 2.00329 -76.73965 602.06421 4650.0000 -79.21001 -75.94759 3.26242 2.01555 -76.61345 621.94665 4655.0000 -78.76756 -76.26309 2.50447 2.09035 -75.84386 667.87847 4660.0000 -79.11311 -76.33858 2.77453 2.04024 -76.35949 614.38535 4665.0000 -78.52352 -75.72648 2.79704 2.02961 -76.46876 586.07198 4670.0000 -78.78962 -76.32333 2.46629 2.06235 -76.13199 595.28146 4675.0000 -78.64402 -75.84868 2.79534 2.05418 -76.21599 585.30315 4680.0000 -78.46257 -76.07017 2.39240 2.07243 -76.02831 646.83765 4685.0000 -79.24328 -77.15067 2.09261 2.02141 -76.55320 618.02845 4690.0000 -78.85800 -76.63093 2.22706 1.98265 -76.95196 607.49627 4695.0000 -79.35412 -76.79811 2.55602 1.97402 -77.04069 581.38052 4700.0000 -79.20292 -75.91989 3.28303 2.04118 -76.34976 632.28946 4705.0000 -78.83350 -75.86399 2.96951 2.07244 -76.02813 654.45426 4710.0000 -79.12111 -75.53585 3.58526 2.13841 -75.34948 720.34808 4715.0000 -79.13442 -76.89812 2.23630 2.06273 -76.12809 638.72772 4720.0000 -79.58704 -77.67324 1.91380 1.97781 -77.00170 549.56069 4725.0000 -78.93670 -77.00396 1.93274 1.93547 -77.43734 534.13796 4730.0000 -79.81162 -76.71448 3.09714 2.00297 -76.74288 602.39584 4735.0000 -79.37065 -76.65632 2.71433 2.01509 -76.61819 645.69405 4740.0000 -79.54483 -76.59819 2.94663 2.02351 -76.53161 635.15745 4745.0000 -78.81849 -76.15390 2.66459 2.06301 -76.12517 664.77814 4750.0000 -79.39563 -76.67654 2.71909 2.02951 -76.46982 606.97359 FREEZING PROCESS: loop number 20 T-loop= 600.00000000000000 main_MD> interactions number 20 at Temperature= 600.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.10859 -1.45416 1.16974 force_rgl> df(natom) -1.02460 -1.71329 -0.75573 4755.0000 -78.68169 -76.63754 2.04415 2.02323 -76.53450 622.10481 4760.0000 -78.78957 -76.12435 2.66523 2.04871 -76.27234 633.14234 4765.0000 -78.78792 -76.18011 2.60780 2.07722 -75.97899 672.03371 4770.0000 -79.07572 -76.54747 2.52824 2.01548 -76.61415 600.68365 4775.0000 -78.92103 -76.34797 2.57306 1.99956 -76.77799 590.35851 4780.0000 -79.36687 -75.94815 3.41872 2.09367 -75.80979 694.62981 4785.0000 -79.33227 -77.48453 1.84773 1.99931 -76.78058 587.03726 4790.0000 -79.63106 -76.67004 2.96102 1.94457 -77.34370 551.68111 4795.0000 -78.45730 -75.25325 3.20405 2.07462 -76.00574 657.37688 4800.0000 -78.06376 -75.51169 2.55207 2.10765 -75.66590 696.56078 4805.0000 -79.82990 -77.29588 2.53402 2.03810 -76.38145 623.25545 4810.0000 -80.39284 -77.97299 2.41985 1.91149 -77.68410 504.82649 4815.0000 -78.56661 -76.61766 1.94895 1.92585 -77.53633 533.11688 4820.0000 -79.18886 -77.00500 2.18386 2.01887 -76.57933 607.88551 4825.0000 -79.79136 -77.24266 2.54870 1.97142 -77.06751 577.97210 4830.0000 -79.72518 -77.31817 2.40701 1.94648 -77.32412 553.45044 4835.0000 -79.94048 -77.73997 2.20051 1.93982 -77.39260 520.40928 4840.0000 -80.23842 -77.98816 2.25026 1.89684 -77.83476 489.27137 4845.0000 -79.46777 -77.59245 1.87531 1.89159 -77.88876 462.04220 4850.0000 -79.22494 -76.23659 2.98834 1.99252 -76.85043 582.72552 4855.0000 -79.32350 -77.05129 2.27221 2.02209 -76.54617 652.10174 4860.0000 -79.62192 -76.82752 2.79439 2.00332 -76.73926 614.56261 4865.0000 -78.94838 -76.23624 2.71214 2.03317 -76.43216 618.13785 4870.0000 -79.39620 -77.03995 2.35625 2.01365 -76.63303 595.61575 4875.0000 -79.63229 -77.53526 2.09702 1.95918 -77.19343 560.01199 4880.0000 -79.39316 -77.35493 2.03823 1.95419 -77.24480 557.97889 4885.0000 -78.91595 -76.42830 2.48765 2.00214 -76.75143 598.30788 4890.0000 -79.02043 -76.09296 2.92747 1.99398 -76.83540 580.47828 4895.0000 -79.09289 -76.01627 3.07662 2.04010 -76.36091 617.85042 4900.0000 -79.02121 -77.22104 1.80018 2.00498 -76.72225 593.89271 4905.0000 -79.53350 -77.29725 2.23625 1.96165 -77.16805 545.20956 4910.0000 -79.81639 -77.41139 2.40500 1.90710 -77.72918 525.20076 4915.0000 -79.86611 -77.53077 2.33534 1.92830 -77.51110 526.08790 4920.0000 -79.69722 -76.94965 2.74756 1.93645 -77.42727 531.12299 4925.0000 -79.84570 -77.59276 2.25295 1.99110 -76.86505 606.16492 4930.0000 -79.51594 -77.59260 1.92334 1.93540 -77.43809 549.55116 4935.0000 -79.51052 -77.60766 1.90286 1.90202 -77.78152 518.49275 4940.0000 -79.43213 -77.79318 1.63894 1.90615 -77.73900 471.30315 4945.0000 -79.09851 -76.45848 2.64004 1.94168 -77.37344 548.80375 4950.0000 -78.82172 -76.40792 2.41379 2.01994 -76.56829 624.36900 4955.0000 -79.31313 -76.63268 2.68046 2.00704 -76.70106 602.07795 4960.0000 -79.29544 -76.83144 2.46400 2.03744 -76.38825 625.45342 4965.0000 -78.89601 -76.72398 2.17204 1.99458 -76.82925 576.06682 4970.0000 -78.95611 -76.24987 2.70624 2.03606 -76.40245 624.33872 4975.0000 -78.60098 -76.18452 2.41646 2.02796 -76.48574 623.32505 4980.0000 -79.07504 -77.09493 1.98011 2.00733 -76.69807 599.28736 4985.0000 -78.32809 -75.23654 3.09155 2.03604 -76.40266 627.36311 4990.0000 -77.49777 -74.86091 2.63685 2.16959 -75.02867 716.21516 4995.0000 -78.26037 -75.85942 2.40095 2.18288 -74.89197 726.32011 5000.0000 -79.16977 -76.56989 2.59987 2.10307 -75.71302 671.85235 FREEZING PROCESS: loop number 21 T-loop= 575.00000000000000 main_MD> interactions number 21 at Temperature= 575.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.85396 -0.59213 -0.16122 force_rgl> df(natom) -2.13402 -1.29176 -0.02475 5005.0000 -79.62052 -76.83096 2.78955 2.02674 -76.49837 583.99785 5010.0000 -79.44100 -77.36837 2.07263 1.96119 -77.17272 541.33207 5015.0000 -79.71068 -77.42029 2.29039 1.93456 -77.44667 509.00894 5020.0000 -78.95353 -76.19853 2.75500 1.96330 -77.15107 567.65724 5025.0000 -78.92568 -76.23463 2.69106 2.03490 -76.41437 595.09080 5030.0000 -79.65040 -76.84740 2.80300 2.02043 -76.56322 558.49956 5035.0000 -79.33937 -77.20340 2.13597 2.00477 -76.72439 614.39241 5040.0000 -79.60671 -77.06756 2.53915 2.02251 -76.54184 598.62191 5045.0000 -79.83085 -77.04188 2.78898 1.93979 -77.39287 541.83665 5050.0000 -79.23115 -77.12384 2.10731 1.97620 -77.01831 533.37644 5055.0000 -79.27310 -77.18259 2.09051 1.98444 -76.93356 583.21636 5060.0000 -78.64546 -76.64265 2.00282 1.99878 -76.78596 571.01842 5065.0000 -79.40399 -77.00663 2.39737 2.00141 -76.75895 569.64946 5070.0000 -79.76765 -77.81556 1.95210 1.97056 -77.07630 581.66632 5075.0000 -79.68609 -77.27071 2.41538 1.93606 -77.43127 545.09173 5080.0000 -79.77791 -76.71904 3.05887 1.98564 -76.92124 578.54703 5085.0000 -79.10133 -76.59256 2.50877 2.05404 -76.21746 634.51488 5090.0000 -79.15139 -76.32536 2.82603 2.02590 -76.50696 581.01349 5095.0000 -78.91029 -76.74241 2.16788 2.01511 -76.61798 599.82438 5100.0000 -79.94932 -77.37996 2.56937 2.00655 -76.70609 608.56339 5105.0000 -79.53437 -76.43553 3.09884 1.99498 -76.82507 603.33235 5110.0000 -79.66354 -76.97868 2.68486 2.01496 -76.61955 610.47254 5115.0000 -79.69869 -77.51305 2.18564 1.92666 -77.52798 522.05969 5120.0000 -79.79798 -77.61751 2.18046 1.90981 -77.70134 506.93322 5125.0000 -79.58373 -77.32017 2.26356 1.94116 -77.37879 557.40406 5130.0000 -79.81942 -77.35123 2.46819 1.95260 -77.26108 516.82599 5135.0000 -80.00877 -77.37975 2.62901 1.93298 -77.46297 533.49364 5140.0000 -80.00750 -77.82192 2.18558 1.90907 -77.70891 509.54520 5145.0000 -79.83256 -77.62393 2.20863 1.91077 -77.69146 521.34633 5150.0000 -79.84440 -77.75393 2.09047 1.90050 -77.79712 498.29145 5155.0000 -79.30482 -76.77891 2.52591 1.92670 -77.52761 533.84796 5160.0000 -79.46540 -76.88485 2.58055 1.98223 -76.95623 580.18163 5165.0000 -79.33811 -76.57455 2.76357 2.00619 -76.70977 626.97202 5170.0000 -79.56312 -77.13533 2.42778 1.94865 -77.30173 559.10379 5175.0000 -80.26679 -77.56186 2.70492 1.94146 -77.37574 544.21615 5180.0000 -79.48475 -77.19463 2.29012 1.95244 -77.26278 543.65148 5185.0000 -79.36147 -77.36855 1.99292 1.95176 -77.26980 542.06433 5190.0000 -79.52569 -77.27395 2.25173 1.92590 -77.53578 514.40310 5195.0000 -78.91720 -76.89663 2.02057 1.99412 -76.83397 570.55748 5200.0000 -79.46265 -76.83172 2.63094 1.97425 -77.03840 553.19944 5205.0000 -79.28251 -76.94031 2.34220 1.96125 -77.17209 518.43722 5210.0000 -79.06376 -76.51135 2.55241 2.02801 -76.48524 584.06675 5215.0000 -79.31017 -76.95898 2.35119 2.00311 -76.74149 613.17215 5220.0000 -79.61002 -77.02358 2.58644 1.97757 -77.00417 578.42748 5225.0000 -79.78687 -77.07320 2.71368 1.97227 -77.05874 574.75076 5230.0000 -79.55832 -77.11336 2.44496 1.94740 -77.31463 565.88456 5235.0000 -79.34014 -77.19322 2.14692 1.94066 -77.38393 542.07006 5240.0000 -79.26079 -77.53930 1.72148 1.94764 -77.31216 544.35967 5245.0000 -79.81480 -77.11232 2.70248 1.95804 -77.20515 570.63211 5250.0000 -78.92340 -76.40358 2.51982 1.99277 -76.84781 583.01638 FREEZING PROCESS: loop number 22 T-loop= 550.00000000000000 main_MD> interactions number 22 at Temperature= 550.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.03575 -1.01111 0.35667 force_rgl> df(natom) 5.24957 -0.75630 -1.61954 5255.0000 -79.88403 -76.84403 3.04000 1.99246 -76.85101 578.01733 5260.0000 -79.75378 -77.53573 2.21805 1.97528 -77.02782 591.87764 5265.0000 -79.70527 -77.53352 2.17175 1.96039 -77.18101 567.46987 5270.0000 -79.87668 -77.69420 2.18248 1.92814 -77.51276 521.50232 5275.0000 -79.53474 -76.90483 2.62991 1.95708 -77.21501 550.82186 5280.0000 -79.34832 -76.66589 2.68243 1.98023 -76.97680 589.35198 5285.0000 -79.19714 -76.28832 2.90882 2.00308 -76.74171 598.32100 5290.0000 -79.28810 -77.19250 2.09560 2.02178 -76.54940 641.32204 5295.0000 -79.82865 -78.13952 1.68913 1.93202 -77.47288 544.99016 5300.0000 -79.27923 -77.24722 2.03201 1.91152 -77.68375 504.98753 5305.0000 -79.66709 -77.33987 2.32722 1.94140 -77.37631 535.24839 5310.0000 -79.44420 -77.36326 2.08094 1.93797 -77.41162 521.03408 5315.0000 -79.42232 -76.86102 2.56130 1.93020 -77.49161 523.60926 5320.0000 -79.70611 -77.34979 2.35632 1.96596 -77.12366 568.02797 5325.0000 -78.72099 -76.79414 1.92686 1.98165 -76.96222 588.41445 5330.0000 -79.19131 -76.85745 2.33387 1.99234 -76.85221 575.56805 5335.0000 -79.85486 -77.08273 2.77213 1.97610 -77.01929 581.59222 5340.0000 -79.20105 -76.54784 2.65321 2.00378 -76.73454 625.75909 5345.0000 -79.78048 -76.47096 3.30953 1.98947 -76.88179 611.46269 5350.0000 -80.55320 -78.33400 2.21920 1.92601 -77.53467 536.74430 5355.0000 -80.69192 -78.56961 2.12231 1.85990 -78.21485 483.97185 5360.0000 -80.24555 -77.89542 2.35013 1.86982 -78.11281 479.58974 5365.0000 -80.39022 -78.27611 2.11411 1.90305 -77.77085 509.53073 5370.0000 -79.63311 -77.40182 2.23129 1.88793 -77.92648 493.11323 5375.0000 -79.94444 -78.01081 1.93363 1.92206 -77.57535 545.65338 5380.0000 -78.92186 -76.82771 2.09415 1.92337 -77.56189 519.95687 5385.0000 -79.23316 -76.08766 3.14550 2.03826 -76.37979 609.77025 5390.0000 -79.00996 -76.94296 2.06700 2.02454 -76.52098 601.19302 5395.0000 -79.64510 -76.57710 3.06800 1.99198 -76.85592 600.08355 5400.0000 -79.91701 -77.36570 2.55131 1.96931 -77.08919 573.19323 5405.0000 -80.11336 -78.17024 1.94312 1.89221 -77.88238 479.09350 5410.0000 -79.59195 -77.29007 2.30188 1.90313 -77.77004 491.71674 5415.0000 -80.04738 -77.72486 2.32252 1.94748 -77.31375 565.78053 5420.0000 -80.19386 -77.97375 2.22011 1.89345 -77.86971 487.71747 5425.0000 -78.99545 -77.15418 1.84127 1.93198 -77.47321 538.07781 5430.0000 -79.98914 -76.74576 3.24339 2.00208 -76.75207 601.59694 5435.0000 -79.63477 -77.58717 2.04760 1.97489 -77.03183 568.77272 5440.0000 -79.77554 -77.28390 2.49164 1.92692 -77.52533 510.14144 5445.0000 -79.67706 -76.82722 2.84983 1.95572 -77.22904 565.82355 5450.0000 -79.74646 -77.11699 2.62947 1.97764 -77.00351 582.09220 5455.0000 -78.79098 -76.92262 1.86836 1.97338 -77.04729 585.94566 5460.0000 -78.64818 -76.45766 2.19052 2.02255 -76.54144 577.15134 5465.0000 -79.02045 -77.02620 1.99424 1.96510 -77.13250 543.45932 5470.0000 -79.73136 -77.44987 2.28149 1.94170 -77.37328 516.58686 5475.0000 -79.30532 -76.53377 2.77154 1.93724 -77.41917 540.63732 5480.0000 -79.13547 -76.82649 2.30898 2.03432 -76.42040 611.52523 5485.0000 -79.34571 -77.31225 2.03346 1.96167 -77.16780 565.86992 5490.0000 -78.76896 -75.91397 2.85499 2.02779 -76.48758 600.12878 5495.0000 -79.32656 -76.36663 2.95993 2.05287 -76.22951 620.63267 5500.0000 -79.61994 -76.58854 3.03140 1.98879 -76.88873 570.85851 FREEZING PROCESS: loop number 23 T-loop= 525.00000000000000 main_MD> interactions number 23 at Temperature= 525.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.27858 -1.66823 0.00306 force_rgl> df(natom) 2.40491 -0.32381 -1.56222 5505.0000 -79.94289 -77.36436 2.57853 1.98118 -76.96705 571.28726 5510.0000 -79.78319 -77.75740 2.02579 1.90222 -77.77946 529.18904 5515.0000 -79.46533 -77.25118 2.21415 1.94000 -77.39078 541.66544 5520.0000 -80.11961 -77.66987 2.44974 1.93190 -77.47405 519.58514 5525.0000 -79.75453 -77.62000 2.13453 1.92006 -77.59591 515.31915 5530.0000 -80.43756 -77.98874 2.44883 1.89243 -77.88014 490.60108 5535.0000 -79.55715 -77.79911 1.75804 1.90547 -77.74604 516.58820 5540.0000 -79.49776 -77.40595 2.09181 1.92238 -77.57200 529.04414 5545.0000 -79.81542 -77.55141 2.26401 1.94406 -77.34892 562.71585 5550.0000 -80.08781 -78.19923 1.88858 1.90509 -77.74991 501.06307 5555.0000 -79.96217 -77.96100 2.00117 1.86092 -78.20433 461.72774 5560.0000 -79.46235 -77.29870 2.16365 1.92272 -77.56849 517.84274 5565.0000 -79.29138 -76.81895 2.47244 1.97475 -77.03325 565.44271 5570.0000 -79.96534 -77.65405 2.31129 2.01730 -76.59550 614.82118 5575.0000 -79.64470 -77.66667 1.97803 1.90740 -77.72612 495.68014 5580.0000 -80.13794 -77.62378 2.51416 1.93387 -77.45385 519.52792 5585.0000 -79.88572 -77.38945 2.49626 1.92017 -77.59472 521.03650 5590.0000 -79.46842 -77.16542 2.30301 1.96107 -77.17394 585.88170 5595.0000 -79.52559 -77.31103 2.21456 1.94737 -77.31493 564.62531 5600.0000 -79.38994 -77.10902 2.28092 1.96465 -77.13718 570.24740 5605.0000 -79.37058 -76.95426 2.41632 1.94331 -77.35673 528.00954 5610.0000 -79.45343 -76.97498 2.47846 1.98414 -76.93666 562.73397 5615.0000 -79.29291 -77.17601 2.11690 1.96840 -77.09857 575.48602 5620.0000 -79.40990 -77.60520 1.80470 1.92021 -77.59433 531.13098 5625.0000 -80.27422 -78.22596 2.04826 1.90188 -77.78296 511.41790 5630.0000 -79.92385 -77.37566 2.54819 1.89577 -77.84584 514.34311 5635.0000 -80.06957 -77.70431 2.36526 1.90821 -77.71777 536.05307 5640.0000 -80.17702 -77.66633 2.51068 1.91718 -77.62549 510.36681 5645.0000 -79.51258 -77.66025 1.85233 1.89286 -77.87571 484.13093 5650.0000 -79.87645 -77.82602 2.05043 1.90663 -77.73408 523.68508 5655.0000 -79.14370 -77.35948 1.78423 1.90204 -77.78127 512.57054 5660.0000 -80.17219 -78.54997 1.62221 1.88303 -77.97687 469.14182 5665.0000 -80.41539 -78.53164 1.88375 1.85097 -78.30670 423.12755 5670.0000 -79.65343 -76.99546 2.65797 1.90873 -77.71242 513.78416 5675.0000 -79.64032 -77.88463 1.75568 1.88454 -77.96134 489.47378 5680.0000 -79.12377 -76.95214 2.17163 1.94621 -77.32689 492.48327 5685.0000 -79.01555 -77.05256 1.96299 1.99337 -76.84167 582.20324 5690.0000 -79.29902 -77.09224 2.20678 1.99897 -76.78406 582.20153 5695.0000 -79.09493 -77.28355 1.81138 1.95512 -77.23519 521.98968 5700.0000 -80.04191 -77.53027 2.51165 1.96631 -77.12004 536.14452 5705.0000 -79.52556 -77.47217 2.05338 1.96378 -77.14605 532.39255 5710.0000 -78.62592 -76.47611 2.14980 2.01088 -76.66153 568.50980 5715.0000 -80.26860 -77.44413 2.82448 1.97086 -77.07321 591.79160 5720.0000 -79.61188 -77.74006 1.87182 1.90902 -77.70950 497.72058 5725.0000 -80.57401 -78.49134 2.08267 1.89676 -77.83566 499.49766 5730.0000 -79.93592 -77.96938 1.96654 1.87008 -78.11007 473.90810 5735.0000 -80.17741 -77.98811 2.18930 1.87901 -78.01821 485.47152 5740.0000 -79.92555 -77.76732 2.15822 1.91633 -77.63430 526.88022 5745.0000 -79.84748 -77.45161 2.39586 1.91545 -77.64337 515.78167 5750.0000 -79.75810 -77.10033 2.65777 1.99025 -76.87379 585.15410 FREEZING PROCESS: loop number 24 T-loop= 500.00000000000000 main_MD> interactions number 24 at Temperature= 500.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.33430 1.06545 -3.87431 force_rgl> df(natom) -1.00503 -2.40605 -1.61834 5755.0000 -79.38078 -77.13097 2.24982 1.99829 -76.79102 589.80496 5760.0000 -79.86443 -77.66509 2.19934 1.92153 -77.58073 512.64696 5765.0000 -80.24793 -77.80053 2.44740 1.90443 -77.75669 494.11999 5770.0000 -80.09196 -77.66349 2.42847 1.90891 -77.71062 492.74938 5775.0000 -80.07373 -78.15269 1.92104 1.88514 -77.95521 491.06419 5780.0000 -79.90161 -77.93643 1.96519 1.87999 -78.00814 478.37779 5785.0000 -80.03732 -77.91751 2.11981 1.87475 -78.06210 492.95794 5790.0000 -79.48399 -77.40408 2.07991 1.90547 -77.74600 511.16753 5795.0000 -80.25641 -77.86821 2.38819 1.94052 -77.38543 530.99365 5800.0000 -80.68600 -78.58767 2.09833 1.84552 -78.36283 462.59084 5805.0000 -80.68429 -78.23480 2.44949 1.82951 -78.52752 432.99037 5810.0000 -79.85604 -77.64737 2.20867 1.88038 -78.00413 504.01519 5815.0000 -79.67066 -77.87589 1.79478 1.91490 -77.64898 518.18202 5820.0000 -79.80400 -77.86053 1.94348 1.92464 -77.54881 514.26981 5825.0000 -79.87220 -77.94769 1.92451 1.86271 -78.18591 455.21765 5830.0000 -80.24678 -78.58112 1.66567 1.85956 -78.21830 451.52043 5835.0000 -79.94796 -77.99916 1.94880 1.82065 -78.61868 423.35341 5840.0000 -79.74999 -78.18503 1.56496 1.90507 -77.75013 491.41511 5845.0000 -80.01505 -78.29046 1.72459 1.82616 -78.56195 422.76114 5850.0000 -79.65351 -77.47389 2.17962 1.89364 -77.86769 490.72746 5855.0000 -79.42936 -77.21696 2.21240 1.95742 -77.21153 585.77430 5860.0000 -79.80911 -77.17227 2.63684 1.94897 -77.29842 558.99422 5865.0000 -79.45274 -77.22935 2.22339 1.95780 -77.20758 577.38549 5870.0000 -80.48885 -78.28129 2.20756 1.90539 -77.74683 528.14644 5875.0000 -80.03003 -78.27962 1.75041 1.85860 -78.22820 463.30499 5880.0000 -80.13837 -78.03378 2.10459 1.85649 -78.24989 426.57648 5885.0000 -79.60642 -77.93184 1.67458 1.88506 -77.95601 459.58342 5890.0000 -79.90193 -77.45239 2.44954 1.89747 -77.82827 479.66207 5895.0000 -79.73612 -78.09209 1.64403 1.90500 -77.75082 530.45962 5900.0000 -80.42234 -78.50956 1.91277 1.89552 -77.84836 511.64115 5905.0000 -79.99886 -77.88261 2.11625 1.85858 -78.22839 476.39597 5910.0000 -79.91310 -78.27934 1.63375 1.85865 -78.22768 469.31423 5915.0000 -80.38533 -78.02732 2.35801 1.85594 -78.25557 482.57567 5920.0000 -79.87594 -77.15873 2.71721 1.92365 -77.55896 549.58426 5925.0000 -79.64535 -77.44321 2.20214 1.93355 -77.45713 547.09012 5930.0000 -79.60441 -77.42595 2.17846 1.92554 -77.53953 549.90425 5935.0000 -80.01552 -78.05950 1.95602 1.89141 -77.89060 500.90545 5940.0000 -79.91644 -77.91504 2.00140 1.90656 -77.73481 515.88063 5945.0000 -79.71088 -76.71220 2.99868 1.93989 -77.39189 543.06443 5950.0000 -79.49527 -77.43154 2.06373 1.95395 -77.24723 542.75721 5955.0000 -80.26944 -78.02046 2.24898 1.91168 -77.68214 504.37619 5960.0000 -79.66672 -77.35292 2.31381 1.89558 -77.84775 486.92822 5965.0000 -78.92991 -77.03260 1.89731 1.95239 -77.26328 542.22726 5970.0000 -80.10987 -78.26095 1.84892 1.90563 -77.74439 494.33452 5975.0000 -79.80392 -77.80817 1.99575 1.86117 -78.20179 453.87218 5980.0000 -79.78482 -77.22840 2.55642 1.92029 -77.59357 499.73863 5985.0000 -80.03443 -77.80853 2.22590 1.92437 -77.55153 491.79033 5990.0000 -79.86303 -77.62448 2.23855 1.91716 -77.62570 514.75371 5995.0000 -80.06189 -78.27231 1.78958 1.89207 -77.88390 487.52747 6000.0000 -79.79022 -77.74254 2.04768 1.86832 -78.12825 455.33055 FREEZING PROCESS: loop number 25 T-loop= 475.00000000000000 main_MD> interactions number 25 at Temperature= 475.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.67235 1.10921 2.64922 force_rgl> df(natom) -0.32413 -0.93422 0.42566 6005.0000 -80.08014 -77.79220 2.28794 1.89229 -77.88162 507.36648 6010.0000 -80.57728 -78.28102 2.29626 1.88757 -77.93020 511.01590 6015.0000 -80.30160 -78.46647 1.83514 1.86162 -78.19709 468.44866 6020.0000 -80.35635 -77.93051 2.42584 1.85765 -78.23796 433.50003 6025.0000 -79.75031 -77.57675 2.17356 1.88200 -77.98744 489.66152 6030.0000 -79.73154 -77.63234 2.09920 1.89616 -77.84182 486.86557 6035.0000 -80.03997 -77.63176 2.40821 1.91329 -77.66553 488.81897 6040.0000 -78.99086 -77.21967 1.77119 1.92089 -77.58738 495.00129 6045.0000 -80.53053 -78.49936 2.03116 1.88749 -77.93101 463.49798 6050.0000 -80.40834 -78.66775 1.74059 1.84752 -78.34221 443.31251 6055.0000 -79.85371 -77.55204 2.30167 1.84495 -78.36867 418.28468 6060.0000 -80.04135 -77.92261 2.11874 1.90089 -77.79311 493.00540 6065.0000 -80.19065 -78.10919 2.08146 1.87608 -78.04834 462.79340 6070.0000 -79.75783 -77.28207 2.47576 1.90518 -77.74898 490.13962 6075.0000 -79.94378 -77.81285 2.13093 1.91202 -77.67861 502.24265 6080.0000 -79.67857 -77.51090 2.16768 1.89417 -77.86224 480.85586 6085.0000 -79.72037 -77.63234 2.08803 1.92801 -77.51411 525.22335 6090.0000 -80.00569 -77.95839 2.04729 1.89499 -77.85386 487.36672 6095.0000 -80.05933 -77.31127 2.74807 1.91303 -77.66820 516.99975 6100.0000 -79.69759 -77.60375 2.09383 1.94294 -77.36054 557.57736 6105.0000 -80.19758 -77.80737 2.39022 1.90296 -77.77178 515.21493 6110.0000 -80.02374 -77.97875 2.04499 1.90011 -77.80115 478.98308 6115.0000 -79.56925 -77.45243 2.11681 1.87683 -78.04069 446.13423 6120.0000 -80.05610 -78.03663 2.01948 1.90441 -77.75695 503.12476 6125.0000 -80.09647 -77.95771 2.13876 1.88626 -77.94361 477.33246 6130.0000 -80.27772 -78.30703 1.97069 1.88731 -77.93288 480.66217 6135.0000 -80.07440 -78.19169 1.88271 1.84409 -78.37745 446.46525 6140.0000 -79.91353 -77.59241 2.32113 1.93359 -77.45674 519.21411 6145.0000 -80.17067 -77.93525 2.23543 1.89108 -77.89408 486.37093 6150.0000 -80.38033 -78.72934 1.65099 1.84693 -78.34828 432.83501 6155.0000 -80.35334 -78.44066 1.91268 1.79201 -78.91330 379.34467 6160.0000 -80.12703 -78.03008 2.09696 1.88228 -77.98453 487.89806 6165.0000 -80.63889 -78.66717 1.97172 1.82826 -78.54037 428.25014 6170.0000 -80.33329 -77.51722 2.81607 1.90505 -77.75027 498.90454 6175.0000 -79.43690 -77.40405 2.03285 1.91014 -77.69792 496.23372 6180.0000 -80.20899 -77.78013 2.42886 1.92140 -77.58213 524.42423 6185.0000 -80.08835 -78.01900 2.06935 1.90652 -77.73515 494.84968 6190.0000 -79.77517 -77.59511 2.18006 1.90456 -77.75541 473.86121 6195.0000 -80.24666 -78.25387 1.99280 1.87700 -78.03889 460.47153 6200.0000 -80.15318 -78.66851 1.48467 1.82070 -78.61818 396.52729 6205.0000 -80.38544 -78.61268 1.77276 1.84803 -78.33691 421.56343 6210.0000 -80.55278 -79.00431 1.54848 1.79418 -78.89101 377.43304 6215.0000 -80.37801 -78.65247 1.72554 1.80143 -78.81637 399.30665 6220.0000 -80.02745 -78.35142 1.67603 1.85882 -78.22596 451.48767 6225.0000 -80.24992 -78.81074 1.43918 1.84400 -78.37841 431.18203 6230.0000 -80.18288 -78.76477 1.41811 1.79830 -78.84864 374.60297 6235.0000 -80.32871 -78.86641 1.46230 1.78636 -78.97140 403.37204 6240.0000 -80.18784 -78.18214 2.00570 1.84842 -78.33292 472.89880 6245.0000 -80.50230 -78.23639 2.26591 1.87285 -78.08157 509.67544 6250.0000 -80.78355 -78.69357 2.08999 1.86642 -78.14775 502.49872 FREEZING PROCESS: loop number 26 T-loop= 450.00000000000000 main_MD> interactions number 26 at Temperature= 450.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.90269 -0.91355 -0.00856 force_rgl> df(natom) 0.46239 -1.80878 1.02425 6255.0000 -80.85869 -78.91372 1.94496 1.79027 -78.93120 409.44692 6260.0000 -80.40777 -78.39219 2.01557 1.80939 -78.73450 434.15353 6265.0000 -80.76365 -79.44794 1.31571 1.78572 -78.97797 394.61407 6270.0000 -80.39937 -78.05410 2.34527 1.79055 -78.92836 394.30969 6275.0000 -79.99103 -78.18827 1.80275 1.86183 -78.19500 486.87698 6280.0000 -80.24737 -78.47650 1.77087 1.84035 -78.41599 449.87374 6285.0000 -80.14049 -77.97817 2.16232 1.85213 -78.29476 464.90440 6290.0000 -80.22024 -77.90746 2.31278 1.87125 -78.09808 477.61649 6295.0000 -79.76900 -77.65979 2.10921 1.87851 -78.02336 463.51082 6300.0000 -80.15854 -77.77044 2.38810 1.92129 -77.58328 527.46667 6305.0000 -80.31146 -78.22679 2.08468 1.88949 -77.91041 475.62455 6310.0000 -80.28677 -78.16374 2.12303 1.83436 -78.47757 422.39121 6315.0000 -80.39618 -78.29665 2.09953 1.86694 -78.14239 458.96449 6320.0000 -79.93283 -78.18118 1.75166 1.83528 -78.46812 425.61797 6325.0000 -80.45269 -78.94880 1.50389 1.82886 -78.53420 421.33940 6330.0000 -80.00709 -78.62469 1.38240 1.79185 -78.91498 391.92655 6335.0000 -80.16639 -78.28345 1.88293 1.83689 -78.45155 432.21191 6340.0000 -79.59545 -77.48471 2.11075 1.85775 -78.23693 459.08067 6345.0000 -79.97361 -77.62477 2.34884 1.91455 -77.65262 540.26846 6350.0000 -80.18566 -77.83260 2.35306 1.89903 -77.81223 506.00218 6355.0000 -79.97693 -78.51176 1.46517 1.84827 -78.33445 454.25327 6360.0000 -80.16066 -78.19014 1.97052 1.86659 -78.14605 454.62293 6365.0000 -79.94832 -78.00509 1.94323 1.88148 -77.99281 451.31321 6370.0000 -80.06238 -77.90377 2.15861 1.88905 -77.91493 482.01106 6375.0000 -79.89539 -77.86123 2.03416 1.90495 -77.75131 470.57912 6380.0000 -79.60903 -77.67273 1.93630 1.90137 -77.78817 453.13594 6385.0000 -79.64671 -77.58163 2.06508 1.89719 -77.83119 476.69137 6390.0000 -80.47044 -78.28674 2.18370 1.89322 -77.87199 496.28062 6395.0000 -79.99453 -77.79806 2.19647 1.87534 -78.05600 470.21788 6400.0000 -80.41408 -78.44682 1.96726 1.85884 -78.22579 448.00624 6405.0000 -80.29577 -77.85070 2.44507 1.88111 -77.99662 478.43190 6410.0000 -80.43566 -78.27873 2.15693 1.88327 -77.97436 472.36659 6415.0000 -80.15809 -78.37930 1.77879 1.85689 -78.24578 448.30847 6420.0000 -80.77259 -78.92357 1.84902 1.82675 -78.55592 433.09628 6425.0000 -80.17434 -77.88684 2.28750 1.84530 -78.36504 454.55797 6430.0000 -79.73870 -78.10843 1.63027 1.90366 -77.76460 506.79982 6435.0000 -80.19422 -78.43251 1.76171 1.89451 -77.85877 479.45483 6440.0000 -80.48936 -78.06519 2.42417 1.84698 -78.34776 416.23990 6445.0000 -80.06707 -77.70034 2.36674 1.89777 -77.82518 471.59340 6450.0000 -79.63997 -78.08124 1.55873 1.92011 -77.59537 488.45483 6455.0000 -80.20040 -78.43735 1.76305 1.86702 -78.14162 467.59109 6460.0000 -80.10389 -77.66973 2.43416 1.86103 -78.20320 461.05520 6465.0000 -79.83316 -78.02657 1.80659 1.91077 -77.69148 533.97611 6470.0000 -80.61685 -78.71522 1.90163 1.83910 -78.42884 448.01576 6475.0000 -80.38228 -78.70561 1.67666 1.82381 -78.58619 431.67791 6480.0000 -80.50379 -78.80232 1.70147 1.78876 -78.94674 374.25046 6485.0000 -80.27068 -78.54023 1.73045 1.82182 -78.60662 426.35680 6490.0000 -79.66804 -77.13548 2.53256 1.89801 -77.82273 503.13447 6495.0000 -80.26083 -77.94381 2.31702 1.92514 -77.54367 523.50967 6500.0000 -80.55319 -78.20532 2.34788 1.86963 -78.11476 480.89388 FREEZING PROCESS: loop number 27 T-loop= 425.00000000000000 main_MD> interactions number 27 at Temperature= 425.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.00538 1.25639 -0.61392 force_rgl> df(natom) 1.63743 0.07301 -0.50008 6505.0000 -80.66318 -78.17853 2.48464 1.84494 -78.36875 460.58508 6510.0000 -80.66734 -78.70124 1.96609 1.81449 -78.68204 428.14800 6515.0000 -80.99415 -79.28064 1.71351 1.78958 -78.93827 382.37802 6520.0000 -80.45131 -79.06743 1.38388 1.76626 -79.17826 367.05927 6525.0000 -80.27663 -78.65679 1.61984 1.80160 -78.81461 406.09081 6530.0000 -80.17686 -78.50230 1.67456 1.81972 -78.62819 418.39008 6535.0000 -80.32836 -78.58344 1.74492 1.81046 -78.72349 417.36544 6540.0000 -80.60549 -78.86531 1.74019 1.79323 -78.90078 396.31222 6545.0000 -80.37718 -78.84320 1.53398 1.79245 -78.90881 399.70909 6550.0000 -80.55770 -79.22290 1.33480 1.76174 -79.22469 367.31405 6555.0000 -80.68676 -79.06668 1.62008 1.77291 -79.10982 369.20339 6560.0000 -80.81998 -79.22292 1.59706 1.78077 -79.02894 377.96683 6565.0000 -79.78601 -78.19511 1.59091 1.80844 -78.74425 417.70922 6570.0000 -80.43149 -78.65385 1.77764 1.84490 -78.36915 429.60400 6575.0000 -80.45383 -78.95967 1.49416 1.77710 -79.06668 388.20576 6580.0000 -80.24170 -79.08360 1.15810 1.79681 -78.86391 398.12677 6585.0000 -80.68433 -79.11347 1.57086 1.77398 -79.09884 380.67778 6590.0000 -80.43692 -78.79712 1.63980 1.75627 -79.28103 364.12314 6595.0000 -80.32132 -78.37829 1.94303 1.80463 -78.78348 398.14600 6600.0000 -79.93979 -77.45607 2.48372 1.89733 -77.82978 491.83777 6605.0000 -80.43607 -78.28369 2.15238 1.92424 -77.55290 526.05989 6610.0000 -80.26354 -78.59049 1.67305 1.83283 -78.49332 426.85208 6615.0000 -80.62219 -78.74520 1.87699 1.81580 -78.66856 405.03388 6620.0000 -81.02068 -79.14779 1.87290 1.79452 -78.88749 403.66293 6625.0000 -80.64124 -78.92276 1.71849 1.80186 -78.81201 412.55344 6630.0000 -80.40953 -78.83675 1.57278 1.81730 -78.65309 428.78572 6635.0000 -80.53526 -78.51921 2.01605 1.82087 -78.61642 413.41046 6640.0000 -79.62043 -77.38135 2.23908 1.88785 -77.92726 484.82234 6645.0000 -79.14721 -77.49687 1.65034 1.92595 -77.53527 505.20233 6650.0000 -80.36520 -78.59100 1.77420 1.85995 -78.21434 447.78630 6655.0000 -80.35011 -78.47541 1.87469 1.84452 -78.37310 448.71823 6660.0000 -80.59296 -78.71662 1.87634 1.81630 -78.66345 431.91584 6665.0000 -80.62440 -78.77136 1.85305 1.82634 -78.56012 440.75576 6670.0000 -80.86334 -78.67015 2.19319 1.79803 -78.85141 401.91252 6675.0000 -80.61720 -78.62234 1.99486 1.82431 -78.58104 443.43541 6680.0000 -80.43994 -78.27405 2.16590 1.83137 -78.50832 440.82230 6685.0000 -81.11170 -78.90997 2.20173 1.83181 -78.50379 432.03766 6690.0000 -80.50797 -78.90053 1.60744 1.78711 -78.96369 403.75111 6695.0000 -80.78694 -79.03889 1.74805 1.81149 -78.71290 426.40784 6700.0000 -80.45079 -78.83309 1.61770 1.79425 -78.89025 397.29950 6705.0000 -80.55500 -78.59257 1.96243 1.80820 -78.74669 388.62631 6710.0000 -80.38260 -78.28389 2.09872 1.81833 -78.64251 414.98838 6715.0000 -80.41710 -78.29531 2.12179 1.85833 -78.23102 465.72258 6720.0000 -80.58061 -78.66714 1.91347 1.82195 -78.60527 421.61566 6725.0000 -80.43854 -78.75501 1.68352 1.80784 -78.75045 405.91899 6730.0000 -80.69583 -79.02510 1.67073 1.78464 -78.98910 393.09933 6735.0000 -80.72743 -78.92568 1.80175 1.79914 -78.83999 388.44806 6740.0000 -80.80629 -78.73776 2.06853 1.81439 -78.68306 412.64799 6745.0000 -81.32213 -79.29829 2.02384 1.78586 -78.97655 412.90164 6750.0000 -80.43417 -78.68210 1.75206 1.79017 -78.93224 414.28698 FREEZING PROCESS: loop number 28 T-loop= 400.00000000000000 main_MD> interactions number 28 at Temperature= 400.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.62793 -1.33587 -0.69470 force_rgl> df(natom) -1.01324 -1.42051 0.22094 6755.0000 -80.80279 -79.28721 1.51558 1.79759 -78.85587 415.91460 6760.0000 -80.71374 -78.97149 1.74225 1.79761 -78.85568 427.50711 6765.0000 -80.88798 -78.83868 2.04930 1.78849 -78.94951 404.27943 6770.0000 -81.24790 -79.18345 2.06446 1.79034 -78.93050 408.43731 6775.0000 -80.34865 -78.80134 1.54732 1.81680 -78.65823 420.31062 6780.0000 -80.85665 -79.07152 1.78513 1.78171 -79.01929 383.54126 6785.0000 -80.46419 -79.11258 1.35161 1.77468 -79.09161 396.11972 6790.0000 -80.40420 -79.16974 1.23446 1.79296 -78.90352 422.95586 6795.0000 -81.11581 -79.37089 1.74492 1.75633 -79.28043 373.37348 6800.0000 -80.53702 -78.82864 1.70838 1.75358 -79.30864 369.97435 6805.0000 -80.14279 -78.35698 1.78581 1.83435 -78.47774 451.82265 6810.0000 -80.50467 -78.36435 2.14032 1.84434 -78.37497 456.14907 6815.0000 -80.54241 -78.55649 1.98592 1.83265 -78.49516 433.53945 6820.0000 -80.82503 -79.13765 1.68738 1.79161 -78.91741 398.00374 6825.0000 -80.82389 -79.08887 1.73503 1.78662 -78.96879 418.19476 6830.0000 -81.08003 -79.47413 1.60590 1.75054 -79.34001 365.07926 6835.0000 -80.61400 -78.83137 1.78262 1.76882 -79.15189 382.47805 6840.0000 -80.55959 -79.08056 1.47903 1.79545 -78.87790 411.15088 6845.0000 -80.48921 -79.05399 1.43522 1.79491 -78.88343 393.38562 6850.0000 -80.68935 -78.94594 1.74341 1.79541 -78.87828 394.72414 6855.0000 -80.62383 -78.88734 1.73649 1.78371 -78.99870 379.00903 6860.0000 -80.23015 -78.46045 1.76969 1.81916 -78.63396 406.98450 6865.0000 -80.20709 -78.37967 1.82742 1.85482 -78.26711 450.61569 6870.0000 -80.49847 -78.53238 1.96609 1.83497 -78.47128 440.05392 6875.0000 -80.44847 -78.96305 1.48541 1.83610 -78.45969 430.05038 6880.0000 -80.16550 -77.89972 2.26578 1.82614 -78.56218 418.42237 6885.0000 -80.65143 -78.95918 1.69225 1.86723 -78.13944 472.53315 6890.0000 -80.92802 -78.96007 1.96796 1.80469 -78.78290 427.09890 6895.0000 -80.73113 -79.40565 1.32548 1.73638 -79.48561 350.62566 6900.0000 -81.10134 -79.30549 1.79585 1.75287 -79.31594 366.02245 6905.0000 -80.86506 -79.42916 1.43590 1.73082 -79.54284 345.80605 6910.0000 -81.09729 -79.65902 1.43828 1.70813 -79.77627 322.77012 6915.0000 -80.67531 -79.14918 1.52614 1.75378 -79.30666 348.72148 6920.0000 -80.76562 -79.19184 1.57378 1.77818 -79.05558 383.67340 6925.0000 -80.83176 -79.21265 1.61911 1.77759 -79.06163 383.51926 6930.0000 -80.80653 -79.31139 1.49514 1.76526 -79.18848 362.72772 6935.0000 -80.78362 -79.24002 1.54360 1.76611 -79.17976 358.06337 6940.0000 -80.37474 -78.39884 1.97590 1.82067 -78.61843 428.74182 6945.0000 -80.66927 -78.58348 2.08579 1.84233 -78.39556 453.41552 6950.0000 -80.77966 -79.12958 1.65007 1.79998 -78.83136 418.97798 6955.0000 -80.98425 -79.21468 1.76956 1.75652 -79.27849 379.35907 6960.0000 -80.53352 -78.85301 1.68051 1.79244 -78.90885 420.60835 6965.0000 -80.87697 -78.86527 2.01170 1.82779 -78.54515 449.86044 6970.0000 -80.70322 -79.02110 1.68211 1.75417 -79.30260 347.88548 6975.0000 -81.09885 -79.30998 1.78887 1.77599 -79.07808 405.24299 6980.0000 -80.66806 -79.10075 1.56731 1.76662 -79.17450 395.39054 6985.0000 -80.82255 -79.25611 1.56644 1.74756 -79.37057 368.20499 6990.0000 -80.59651 -79.24236 1.35415 1.74287 -79.41884 361.50722 6995.0000 -80.78616 -78.95620 1.82996 1.76212 -79.22085 388.36817 7000.0000 -80.24998 -78.08079 2.16919 1.81430 -78.68395 420.78561 FREEZING PROCESS: loop number 29 T-loop= 375.00000000000000 main_MD> interactions number 29 at Temperature= 375.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.09201 1.36199 -2.07042 force_rgl> df(natom) -0.11761 0.52091 -0.57101 7005.0000 -80.66782 -78.97956 1.68826 1.81375 -78.68959 425.69086 7010.0000 -81.01865 -79.21887 1.79978 1.80377 -78.79235 417.78560 7015.0000 -80.78107 -79.52280 1.25827 1.74503 -79.39669 354.82834 7020.0000 -80.97179 -79.00474 1.96705 1.75159 -79.32919 374.83724 7025.0000 -81.16956 -79.09481 2.07475 1.79715 -78.86042 437.37663 7030.0000 -81.22143 -79.74302 1.47841 1.72151 -79.63859 342.29451 7035.0000 -81.36348 -79.89817 1.46532 1.71271 -79.72917 321.92368 7040.0000 -81.10947 -79.53604 1.57343 1.74620 -79.38460 369.19727 7045.0000 -80.95821 -79.30249 1.65572 1.72790 -79.57288 347.67625 7050.0000 -80.76215 -79.42391 1.33823 1.77493 -79.08902 388.41745 7055.0000 -80.64445 -79.35255 1.29190 1.75357 -79.30879 367.29233 7060.0000 -80.55275 -79.31397 1.23878 1.76820 -79.15824 377.72976 7065.0000 -80.98681 -79.25314 1.73367 1.74586 -79.38812 355.39743 7070.0000 -80.51272 -78.65658 1.85614 1.78155 -79.02090 405.02756 7075.0000 -80.96498 -79.38796 1.57702 1.77156 -79.12371 379.28721 7080.0000 -81.25369 -79.65788 1.59581 1.73173 -79.53346 351.74349 7085.0000 -81.33607 -79.91752 1.41855 1.72346 -79.61862 335.40345 7090.0000 -81.27413 -80.18922 1.08492 1.70002 -79.85971 308.03310 7095.0000 -80.94403 -79.51787 1.42616 1.70422 -79.81650 321.78189 7100.0000 -80.88676 -79.40336 1.48340 1.72437 -79.60920 335.41757 7105.0000 -81.03535 -79.22759 1.80776 1.73862 -79.46261 354.90089 7110.0000 -80.59205 -78.87912 1.71293 1.74980 -79.34752 367.62758 7115.0000 -81.48413 -80.15422 1.32991 1.72813 -79.57054 342.83312 7120.0000 -81.12021 -79.75362 1.36659 1.71831 -79.67154 333.49532 7125.0000 -81.21346 -79.50194 1.71152 1.74105 -79.43757 364.53010 7130.0000 -80.96145 -79.54442 1.41703 1.73019 -79.54932 354.16927 7135.0000 -80.60356 -79.25734 1.34622 1.75885 -79.25451 382.18766 7140.0000 -80.88376 -79.37473 1.50902 1.73752 -79.47395 353.91262 7145.0000 -81.22145 -79.61804 1.60341 1.75351 -79.30939 379.80541 7150.0000 -81.01273 -79.73240 1.28033 1.70665 -79.79148 331.21536 7155.0000 -81.33965 -79.90498 1.43467 1.70606 -79.79762 322.37043 7160.0000 -80.60393 -79.25832 1.34561 1.73235 -79.52705 350.19500 7165.0000 -80.68374 -78.81019 1.87355 1.75412 -79.30316 378.27269 7170.0000 -80.90659 -79.41635 1.49023 1.78665 -78.96842 413.43988 7175.0000 -80.85206 -79.14642 1.70563 1.76324 -79.20926 383.22664 7180.0000 -81.11973 -79.02340 2.09633 1.79180 -78.91542 427.94856 7185.0000 -81.21207 -79.40959 1.80249 1.76240 -79.21797 379.80275 7190.0000 -80.93963 -79.24146 1.69817 1.74931 -79.35265 366.36769 7195.0000 -80.75334 -79.22092 1.53243 1.75355 -79.30899 372.30468 7200.0000 -80.95778 -79.37422 1.58356 1.75062 -79.33915 377.21534 7205.0000 -80.76689 -79.06266 1.70422 1.76949 -79.14502 389.46631 7210.0000 -81.20986 -79.80698 1.40288 1.73025 -79.54868 345.59241 7215.0000 -81.26751 -79.98360 1.28392 1.72238 -79.62963 330.52515 7220.0000 -80.84773 -79.47181 1.37591 1.71950 -79.65930 333.39339 7225.0000 -81.04009 -79.21224 1.82786 1.74925 -79.35325 360.47288 7230.0000 -80.82023 -79.32721 1.49302 1.77242 -79.11485 388.15136 7235.0000 -80.74653 -78.94235 1.80417 1.77273 -79.11165 378.62946 7240.0000 -80.86488 -79.32607 1.53881 1.75036 -79.34182 355.37561 7245.0000 -80.60510 -79.39748 1.20762 1.75477 -79.29643 345.30716 7250.0000 -81.04980 -79.47856 1.57125 1.76680 -79.17271 370.20178 FREEZING PROCESS: loop number 30 T-loop= 350.00000000000000 main_MD> interactions number 30 at Temperature= 350.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.42614 0.49824 -0.33010 force_rgl> df(natom) 1.10186 -0.73047 0.25290 7255.0000 -80.54797 -79.25012 1.29785 1.72791 -79.57274 324.71272 7260.0000 -81.17448 -79.30365 1.87082 1.76793 -79.16102 369.46017 7265.0000 -80.91192 -79.19782 1.71410 1.75673 -79.27632 344.68375 7270.0000 -80.99906 -79.52246 1.47660 1.75077 -79.33760 349.01641 7275.0000 -81.09699 -79.69524 1.40175 1.73375 -79.51275 352.75626 7280.0000 -81.16124 -79.65580 1.50543 1.71961 -79.65821 338.62713 7285.0000 -81.09481 -79.41001 1.68480 1.73134 -79.53746 345.95368 7290.0000 -80.71381 -79.40348 1.31033 1.76601 -79.18076 364.63884 7295.0000 -80.52755 -79.07421 1.45334 1.75162 -79.32882 363.41148 7300.0000 -80.46987 -78.96631 1.50357 1.79036 -78.93029 408.77345 7305.0000 -80.69197 -79.16552 1.52644 1.77314 -79.10741 405.01353 7310.0000 -80.96432 -79.48342 1.48091 1.74308 -79.41668 370.95178 7315.0000 -80.97723 -79.38770 1.58953 1.72479 -79.60485 338.46451 7320.0000 -81.15179 -79.50049 1.65130 1.76109 -79.23140 387.73946 7325.0000 -80.99156 -78.99761 1.99394 1.77176 -79.12159 395.99361 7330.0000 -81.13081 -79.42633 1.70448 1.74317 -79.41580 353.73272 7335.0000 -81.19857 -79.53978 1.65879 1.73613 -79.48826 351.72031 7340.0000 -80.82525 -79.64522 1.18003 1.74411 -79.40613 358.17871 7345.0000 -81.17637 -79.54780 1.62856 1.72135 -79.64030 329.04547 7350.0000 -80.77827 -79.09592 1.68235 1.74254 -79.42231 352.97308 7355.0000 -80.72524 -78.90813 1.81710 1.77957 -79.04124 399.13101 7360.0000 -81.01518 -79.66605 1.34912 1.76726 -79.16795 388.09519 7365.0000 -81.04727 -79.48602 1.56126 1.74180 -79.42991 349.11308 7370.0000 -81.10336 -80.03452 1.06885 1.73170 -79.53375 356.49366 7375.0000 -80.80396 -79.56327 1.24069 1.70815 -79.77606 316.53129 7380.0000 -81.27682 -79.49472 1.78211 1.70929 -79.76433 320.72342 7385.0000 -80.62659 -79.20402 1.42257 1.75898 -79.25317 370.01174 7390.0000 -81.28338 -79.48946 1.79392 1.74955 -79.35019 365.66387 7395.0000 -80.99229 -79.59317 1.39912 1.74996 -79.34594 369.33263 7400.0000 -81.22027 -79.25719 1.96308 1.74804 -79.36568 358.86461 7405.0000 -80.80542 -79.14623 1.65918 1.75631 -79.28061 383.72080 7410.0000 -81.40785 -79.92650 1.48136 1.72213 -79.63229 345.37313 7415.0000 -81.69604 -80.58803 1.10801 1.65057 -80.36853 257.55279 7420.0000 -81.20651 -79.88857 1.31794 1.68773 -79.98612 306.17649 7425.0000 -80.84217 -79.66495 1.17722 1.72977 -79.55369 345.68102 7430.0000 -80.92266 -79.51026 1.41240 1.73925 -79.45611 348.78167 7435.0000 -81.07530 -79.81078 1.26451 1.72305 -79.62280 303.80047 7440.0000 -80.93640 -79.31401 1.62239 1.73471 -79.50279 331.98737 7445.0000 -81.09866 -79.41602 1.68264 1.76093 -79.23307 364.25476 7450.0000 -81.05942 -79.90104 1.15838 1.70964 -79.76078 311.39873 7455.0000 -80.78866 -79.47979 1.30887 1.74982 -79.34740 347.32451 7460.0000 -81.11683 -79.66962 1.44721 1.73561 -79.49352 334.75595 7465.0000 -80.79394 -79.24490 1.54904 1.71657 -79.68943 315.59584 7470.0000 -81.06096 -79.72887 1.33208 1.75722 -79.27126 359.12153 7475.0000 -81.38349 -80.02016 1.36333 1.71625 -79.69279 326.36691 7480.0000 -81.03929 -79.82184 1.21745 1.69287 -79.93327 299.85405 7485.0000 -80.93772 -79.58323 1.35449 1.72534 -79.59926 335.56327 7490.0000 -80.99509 -79.78168 1.21341 1.72968 -79.55462 327.03902 7495.0000 -80.82370 -79.52032 1.30338 1.71001 -79.75692 299.53960 7500.0000 -80.64336 -78.65390 1.98946 1.76980 -79.14185 371.57378 FREEZING PROCESS: loop number 31 T-loop= 325.00000000000000 main_MD> interactions number 31 at Temperature= 325.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.12091 -0.37180 -0.50111 force_rgl> df(natom) -1.24451 1.91488 2.51426 7505.0000 -80.87416 -79.62536 1.24879 1.76314 -79.21031 372.34518 7510.0000 -80.83781 -79.18883 1.64897 1.74576 -79.38913 340.67076 7515.0000 -80.94300 -79.21355 1.72946 1.76904 -79.14960 365.89428 7520.0000 -81.13931 -79.86746 1.27185 1.72191 -79.63448 314.26739 7525.0000 -80.71193 -79.49526 1.21667 1.72251 -79.62838 323.40137 7530.0000 -81.03760 -79.37170 1.66591 1.75611 -79.28261 363.90695 7535.0000 -81.38537 -80.20101 1.18436 1.71379 -79.71808 333.11646 7540.0000 -81.10868 -80.15844 0.95024 1.67259 -80.14191 274.78729 7545.0000 -80.91663 -79.60619 1.31044 1.67958 -80.06999 288.32013 7550.0000 -81.06411 -79.59570 1.46841 1.71753 -79.67959 334.11622 7555.0000 -81.01711 -79.49801 1.51909 1.72493 -79.60340 335.40342 7560.0000 -81.18894 -79.98223 1.20671 1.70970 -79.76017 318.55905 7565.0000 -81.02778 -79.51912 1.50866 1.73470 -79.50292 346.43095 7570.0000 -80.79748 -79.39177 1.40571 1.74471 -79.39989 364.69907 7575.0000 -81.44598 -80.19532 1.25066 1.71874 -79.66714 330.62820 7580.0000 -81.34462 -79.89599 1.44863 1.68527 -80.01146 297.50946 7585.0000 -81.16699 -79.70050 1.46650 1.70511 -79.80741 319.45752 7590.0000 -81.09405 -79.49833 1.59572 1.71048 -79.75208 326.37348 7595.0000 -80.92785 -79.45924 1.46862 1.72371 -79.61600 333.97383 7600.0000 -80.94590 -79.69929 1.24660 1.73626 -79.48683 360.51927 7605.0000 -81.14155 -79.68429 1.45726 1.71936 -79.66076 337.97760 7610.0000 -81.22130 -80.17091 1.05039 1.71680 -79.68705 335.54142 7615.0000 -81.24143 -80.19981 1.04162 1.66905 -80.17836 274.62769 7620.0000 -81.10633 -79.71158 1.39475 1.68660 -79.99777 297.75724 7625.0000 -81.28285 -79.88540 1.39745 1.71635 -79.69177 330.46214 7630.0000 -80.95964 -79.86895 1.09069 1.69382 -79.92347 309.39681 7635.0000 -80.95804 -79.46604 1.49200 1.72467 -79.60610 339.53706 7640.0000 -80.81049 -79.35060 1.45989 1.73254 -79.52512 352.09232 7645.0000 -81.39767 -80.20798 1.18969 1.69992 -79.86076 314.49141 7650.0000 -81.35286 -79.83027 1.52259 1.68428 -80.02165 287.68658 7655.0000 -80.97133 -79.68865 1.28269 1.71988 -79.65539 338.77950 7660.0000 -81.15729 -80.06011 1.09718 1.71040 -79.75289 323.83495 7665.0000 -81.32045 -79.89688 1.42357 1.70085 -79.85120 318.31995 7670.0000 -81.28559 -80.31402 0.97157 1.66329 -80.23762 267.61884 7675.0000 -81.58460 -80.43290 1.15170 1.66131 -80.25800 267.54104 7680.0000 -81.36049 -80.18808 1.17242 1.66963 -80.17239 271.62099 7685.0000 -81.48415 -79.96022 1.52393 1.69570 -79.90420 303.71308 7690.0000 -81.26823 -79.87096 1.39726 1.68874 -79.97578 302.65939 7695.0000 -81.33958 -79.94807 1.39151 1.69454 -79.91611 301.56797 7700.0000 -81.11740 -80.09582 1.02159 1.70178 -79.84162 317.30079 7705.0000 -81.19805 -79.89337 1.30468 1.68506 -80.01359 293.44126 7710.0000 -81.08968 -79.75588 1.33380 1.69296 -79.93232 299.93710 7715.0000 -81.00182 -79.50486 1.49696 1.75081 -79.33718 367.71462 7720.0000 -81.18254 -79.81181 1.37074 1.71101 -79.74667 321.07194 7725.0000 -81.21562 -79.75128 1.46433 1.69331 -79.92872 305.11388 7730.0000 -81.09810 -79.69302 1.40508 1.72368 -79.61632 341.43892 7735.0000 -81.10670 -79.76535 1.34135 1.69978 -79.86217 317.77391 7740.0000 -81.06006 -79.94778 1.11227 1.69418 -79.91981 313.10617 7745.0000 -81.08112 -79.74056 1.34056 1.69883 -79.87195 311.03220 7750.0000 -81.35180 -79.56813 1.78367 1.71359 -79.72015 334.95380 FREEZING PROCESS: loop number 32 T-loop= 300.00000000000000 main_MD> interactions number 32 at Temperature= 300.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.85933 1.17717 0.64642 force_rgl> df(natom) 1.33548 -1.00980 -0.35368 7755.0000 -80.93078 -79.62959 1.30119 1.71879 -79.66663 328.11376 7760.0000 -81.34629 -79.74623 1.60005 1.71346 -79.72150 328.67962 7765.0000 -81.22045 -79.78011 1.44034 1.71333 -79.72275 325.38724 7770.0000 -81.16236 -79.91454 1.24782 1.69933 -79.86680 315.85915 7775.0000 -81.22622 -79.82606 1.40017 1.71708 -79.68418 325.84247 7780.0000 -81.36938 -80.06669 1.30270 1.68133 -80.05205 289.39024 7785.0000 -81.61642 -80.15223 1.46420 1.69260 -79.93606 303.77011 7790.0000 -81.34409 -80.32192 1.02217 1.66020 -80.26940 265.07767 7795.0000 -81.24116 -80.35329 0.88787 1.66226 -80.24822 262.43868 7800.0000 -81.26258 -80.30733 0.95525 1.64993 -80.37508 250.59125 7805.0000 -81.43721 -80.17470 1.26252 1.67078 -80.16052 287.83079 7810.0000 -81.28191 -79.95300 1.32891 1.69128 -79.94968 300.32346 7815.0000 -80.69092 -79.74876 0.94217 1.67234 -80.14452 277.97379 7820.0000 -81.53020 -80.33869 1.19151 1.68537 -80.01046 287.31940 7825.0000 -81.26194 -80.18152 1.08043 1.66374 -80.23294 272.15858 7830.0000 -81.53578 -80.45992 1.07586 1.66368 -80.23363 264.87075 7835.0000 -81.24451 -80.01416 1.23035 1.66063 -80.26497 262.00436 7840.0000 -81.41640 -79.90750 1.50890 1.68062 -80.05928 293.36246 7845.0000 -81.10967 -79.82570 1.28397 1.71203 -79.73615 324.60818 7850.0000 -81.52622 -79.92644 1.59978 1.69916 -79.86861 310.15509 7855.0000 -81.48180 -80.50597 0.97583 1.65532 -80.31959 262.42195 7860.0000 -81.28001 -80.22688 1.05313 1.65441 -80.32899 262.02853 7865.0000 -81.07626 -79.89685 1.17941 1.68412 -80.02328 296.45189 7870.0000 -81.24716 -79.97134 1.27582 1.67337 -80.13392 283.54357 7875.0000 -81.16009 -79.73205 1.42805 1.69371 -79.92462 299.17418 7880.0000 -81.53986 -80.00856 1.53130 1.68263 -80.03859 295.06921 7885.0000 -81.23930 -80.25949 0.97981 1.66669 -80.20261 274.63561 7890.0000 -81.11108 -80.00234 1.10874 1.66452 -80.22496 272.44864 7895.0000 -81.25228 -80.23139 1.02089 1.67246 -80.14325 283.90287 7900.0000 -81.39248 -80.11854 1.27394 1.68244 -80.04060 295.78877 7905.0000 -81.28050 -79.83478 1.44573 1.68666 -79.99722 297.62391 7910.0000 -80.94519 -79.52706 1.41813 1.71696 -79.68547 332.06085 7915.0000 -81.10343 -79.61926 1.48417 1.72532 -79.59941 349.67371 7920.0000 -81.24485 -79.77921 1.46564 1.68875 -79.97569 300.00878 7925.0000 -81.21288 -79.89088 1.32199 1.70093 -79.85036 315.55288 7930.0000 -81.27484 -79.87030 1.40454 1.69585 -79.90265 305.39734 7935.0000 -81.26890 -79.79599 1.47291 1.72219 -79.63162 339.15769 7940.0000 -81.24913 -80.16986 1.07927 1.71089 -79.74785 325.80478 7945.0000 -81.14130 -80.13209 1.00921 1.68368 -80.02788 292.53073 7950.0000 -81.08822 -79.67878 1.40944 1.69595 -79.90164 298.34894 7955.0000 -81.24493 -79.64195 1.60298 1.71792 -79.67557 310.51289 7960.0000 -81.15655 -79.93835 1.21821 1.70119 -79.84771 294.37105 7965.0000 -81.28769 -79.99119 1.29650 1.70678 -79.79018 301.18069 7970.0000 -80.94932 -79.86514 1.08418 1.68163 -80.04893 271.78548 7975.0000 -81.20222 -79.75957 1.44265 1.69816 -79.87890 298.71430 7980.0000 -81.13923 -79.80245 1.33678 1.69072 -79.95538 303.84285 7985.0000 -80.77343 -79.60113 1.17230 1.69950 -79.86502 321.81784 7990.0000 -81.21278 -79.91298 1.29980 1.68462 -80.01819 296.65816 7995.0000 -81.14892 -80.14535 1.00357 1.66708 -80.19857 276.99658 8000.0000 -80.93922 -79.42912 1.51010 1.70016 -79.85833 315.92336 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 16.7993704 [s]. main_MD> Deallocating global variables