main_MD> Reading input file read_input> Process type: freezing Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns] read_input> Input for metadynamics has been read read_input> Metadynamics has not been chosen. read_input> Reading initial positions fromtoFreeze_21.xyz read_input> Finish reading initial positions read_input> Validating positions read_input> Initializing random number generator read_input> Checking program read_rgl> START READING FILE ../pot.pot read_rgl>> END READING FILE ../pot.pot READ_RGL>> atomic speciesAgAg imet1 4 imet2 4 READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999 read_rgl> PARAMETERS SELECTION FOR IMET1 :: Ag 4 ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999 p :: 10.850000000000000 q :: 3.1800000000000002 ATOMIC RADIUS :: 1.4450000999999999 choice_pot> values: frac = 0.12062503764379931 arete = 4.0870774781009569 choice_pot> mass is== 108.00000000000000 for elem1= read_input> ntipo1 = 21 ntipo2 = 0 read_input> Finish reading input main_MD> Allocating global variables main_MD> Number of outputs that will be created: 1700 main_MD> Size of nv and nvoiz: 21 2100 main_MD> Size of nv and nvoiz: 21 2100 main_MD> Number of time-steps (npas) = 50000 main_MD> Number of CVs (num_cv) = 1 main_MD> Max allowed number of atoms = 2900 main_MD> Max number of atoms = 21 main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance main_MD> collvar_wanted = F main_MD> INPUT AND POTENTIAL FILE READING IS DONE main_MD> THERMALIZATION IS STARTING init> -4.5155865300007203E-002 -0.17788185545552335 -0.23909313781427852 initial drift of cluster / NP1 for coalescence init> 0.40306827380034482 0.39314622453200354 0.23725579005591690 scaling for velocity /for coalescence NP1 init.f90 > facguy = 3.6504090322115358E-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) -3.09726 -3.51970 6.31633 force_rgl> df(natom) 0.04143 1.56631 -9.81679 preparo> THERMALIZATION PROCESS AT 1154.9048167513395 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -41.952304689907564 3.0704732862353152 -45.022777976142876 6.0877178629666138E-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 34 FREEZING PROCESS: loop number 1 T-loop= 1131.0000000000000 main_MD> interactions number 1 at Temperature= 1131.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.16139 0.94978 2.72995 force_rgl> df(natom) 0.07753 -3.07913 -0.20666 5.0000 -46.74355 -43.53332 3.21023 2.49487 -42.95987 1233.32944 10.0000 -46.11836 -43.00501 3.11335 2.45437 -43.26818 1124.04968 15.0000 -46.16448 -42.94503 3.21945 2.56174 -42.45092 1235.94212 20.0000 -47.10308 -43.69377 3.40932 2.41888 -43.53830 1086.89109 25.0000 -46.97511 -43.47197 3.50315 2.39242 -43.73968 1059.44522 30.0000 -46.38551 -44.31887 2.06664 2.46477 -43.18903 1231.75976 35.0000 -46.51801 -43.73743 2.78058 2.33772 -44.15604 1007.01771 40.0000 -47.62673 -44.66278 2.96395 2.24425 -44.86753 945.72592 45.0000 -47.98289 -44.06644 3.91645 2.31355 -44.34002 1016.86475 50.0000 -46.86047 -44.14236 2.71811 2.31593 -44.32192 1030.91229 55.0000 -46.20100 -42.33623 3.86477 2.49753 -42.93966 1244.16324 60.0000 -46.51639 -44.06395 2.45245 2.45588 -43.25666 1126.82084 65.0000 -46.80981 -44.00496 2.80485 2.33056 -44.21060 1048.66236 70.0000 -45.30781 -42.99406 2.31375 2.37779 -43.85107 1092.86472 75.0000 -44.63821 -41.74725 2.89096 2.51517 -42.80536 1185.47375 80.0000 -46.97290 -44.15870 2.81420 2.44148 -43.36628 1232.19351 85.0000 -47.11477 -43.71479 3.39998 2.31830 -44.30391 985.23484 90.0000 -47.70115 -44.94718 2.75397 2.31263 -44.34702 1096.51437 95.0000 -47.36267 -45.67289 1.68979 2.15939 -45.51342 855.50294 100.0000 -46.16537 -43.27786 2.88750 2.30026 -44.44119 1038.04902 105.0000 -46.12738 -42.86805 3.25933 2.46875 -43.15867 1101.99563 110.0000 -45.56259 -42.16787 3.39472 2.49465 -42.96154 1174.39789 115.0000 -47.42193 -44.39066 3.03127 2.35924 -43.99230 1047.76282 120.0000 -46.26178 -42.73064 3.53114 2.41654 -43.55613 1156.33499 125.0000 -45.19469 -42.73804 2.45666 2.52021 -42.76703 1235.49927 130.0000 -47.04729 -43.32686 3.72042 2.49005 -42.99659 1202.43720 135.0000 -44.92649 -42.01116 2.91534 2.48397 -43.04286 1181.37773 140.0000 -46.05419 -42.93089 3.12330 2.58450 -42.27769 1263.73632 145.0000 -46.47974 -43.89480 2.58493 2.43019 -43.45224 1114.43921 150.0000 -46.52228 -43.01648 3.50580 2.46299 -43.20258 1137.79586 155.0000 -45.43184 -43.35820 2.07364 2.48620 -43.02589 1132.21977 160.0000 -45.65920 -42.81917 2.84004 2.44163 -43.36514 1067.52160 165.0000 -46.99656 -43.99736 2.99920 2.40631 -43.63398 1101.69143 170.0000 -47.45433 -43.59069 3.86364 2.33238 -44.19669 1071.74871 175.0000 -46.43066 -43.12018 3.31048 2.44097 -43.37015 1149.49557 180.0000 -45.90721 -42.98990 2.91731 2.48031 -43.07072 1117.32829 185.0000 -44.81602 -42.17075 2.64527 2.59044 -42.23248 1300.27642 190.0000 -46.62710 -43.75016 2.87694 2.54917 -42.54661 1240.46374 195.0000 -47.35682 -44.88080 2.47602 2.26902 -44.67896 950.28321 200.0000 -47.16673 -43.84491 3.32183 2.31510 -44.32827 987.16294 205.0000 -45.81317 -42.44494 3.36824 2.52962 -42.69540 1208.94267 210.0000 -46.42784 -43.36206 3.06578 2.47781 -43.08977 1156.24230 215.0000 -47.04654 -44.39074 2.65580 2.31547 -44.32544 1033.21738 220.0000 -47.37219 -43.80286 3.56933 2.32149 -44.27962 1120.93887 225.0000 -46.95285 -43.35919 3.59365 2.44493 -43.34003 1170.36278 230.0000 -46.64823 -43.21791 3.43032 2.52172 -42.75551 1294.88998 235.0000 -47.71651 -44.52162 3.19490 2.41256 -43.58640 1153.47600 240.0000 -47.08968 -44.23211 2.85757 2.30631 -44.39517 1045.36893 245.0000 -45.13588 -42.53625 2.59964 2.40414 -43.65046 1095.56719 250.0000 -45.89990 -43.34188 2.55802 2.50591 -42.87586 1203.89983 FREEZING PROCESS: loop number 2 T-loop= 1106.0000000000000 main_MD> interactions number 2 at Temperature= 1106.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.73740 3.08980 -0.18081 force_rgl> df(natom) 0.22346 -0.22265 0.26427 255.0000 -47.54402 -44.95084 2.59318 2.34680 -44.08698 991.59135 260.0000 -47.80027 -44.84675 2.95352 2.23555 -44.93373 947.30334 265.0000 -47.59400 -45.04449 2.54951 2.27256 -44.65202 1026.78705 270.0000 -47.57877 -45.13414 2.44463 2.18444 -45.32274 918.13326 275.0000 -47.79948 -45.22168 2.57780 2.24551 -44.85797 989.33945 280.0000 -46.13586 -42.31650 3.81936 2.36234 -43.96864 1065.02347 285.0000 -47.06518 -44.26362 2.80156 2.46735 -43.16938 1151.52152 290.0000 -47.12810 -43.23540 3.89269 2.44540 -43.33641 1157.53383 295.0000 -46.44456 -43.22863 3.21593 2.52079 -42.76258 1236.25584 300.0000 -46.58278 -44.22359 2.35919 2.34148 -44.12746 1055.39473 305.0000 -46.24748 -43.13930 3.10818 2.34984 -44.06382 1062.58238 310.0000 -46.23225 -43.32936 2.90289 2.39154 -43.74641 1088.64282 315.0000 -47.59596 -44.87434 2.72162 2.30479 -44.40670 1025.28593 320.0000 -47.57995 -44.75894 2.82101 2.30515 -44.40397 938.38009 325.0000 -47.59023 -45.60911 1.98112 2.25376 -44.79517 1006.65132 330.0000 -46.83753 -43.98961 2.84792 2.21764 -45.07006 890.40004 335.0000 -45.34289 -42.22614 3.11675 2.49739 -42.94068 1198.35742 340.0000 -45.25801 -41.26280 3.99521 2.64334 -41.82976 1344.95476 345.0000 -45.41594 -41.04264 4.37331 2.77853 -40.80078 1491.55473 350.0000 -46.29146 -43.05168 3.23979 2.57299 -42.36526 1349.73760 355.0000 -45.75082 -42.06667 3.68415 2.50785 -42.86108 1272.70025 360.0000 -46.25458 -43.48830 2.76628 2.43469 -43.41798 1052.98490 365.0000 -48.05822 -44.99363 3.06459 2.24245 -44.88120 927.62893 370.0000 -47.18973 -44.23438 2.95535 2.29507 -44.48068 1084.42736 375.0000 -47.68788 -45.42123 2.26666 2.26654 -44.69790 944.77249 380.0000 -47.82668 -45.66645 2.16023 2.17312 -45.40894 842.53870 385.0000 -46.39769 -43.49555 2.90215 2.33560 -44.17216 1045.37697 390.0000 -46.70404 -42.71430 3.98974 2.46700 -43.17203 1211.84219 395.0000 -47.13443 -43.27226 3.86217 2.48599 -43.02746 1246.41656 400.0000 -46.07837 -42.81129 3.26708 2.51948 -42.77260 1207.43078 405.0000 -46.35224 -43.15136 3.20087 2.47353 -43.12232 1146.06928 410.0000 -46.40629 -42.92153 3.48476 2.47659 -43.09906 1187.05942 415.0000 -46.15759 -43.50319 2.65440 2.48246 -43.05439 1218.55534 420.0000 -46.07264 -42.27882 3.79382 2.49061 -42.99233 1189.68688 425.0000 -46.88153 -43.12368 3.75785 2.47134 -43.13899 1116.06100 430.0000 -46.37546 -43.04135 3.33411 2.54040 -42.61332 1269.08719 435.0000 -46.65522 -43.31126 3.34395 2.57750 -42.33094 1298.06930 440.0000 -46.64144 -43.45521 3.18624 2.42993 -43.45417 1187.88321 445.0000 -45.76018 -42.51263 3.24755 2.45249 -43.28251 1105.70272 450.0000 -46.09372 -43.20194 2.89178 2.53566 -42.64938 1223.03025 455.0000 -47.05754 -42.89556 4.16198 2.45710 -43.24737 1175.70088 460.0000 -46.52026 -42.77185 3.74841 2.51778 -42.78550 1225.50200 465.0000 -46.15336 -42.89423 3.25913 2.40481 -43.64541 1062.06819 470.0000 -47.29718 -43.78683 3.51035 2.45425 -43.26907 1183.83799 475.0000 -45.44809 -42.88704 2.56105 2.41284 -43.58429 1116.25313 480.0000 -46.43269 -43.04163 3.39107 2.53057 -42.68814 1226.59775 485.0000 -47.13183 -43.37017 3.76167 2.43027 -43.45163 1166.43289 490.0000 -45.76771 -43.32399 2.44372 2.43814 -43.39168 1181.18545 495.0000 -46.68343 -42.95671 3.72672 2.43022 -43.45195 1173.21985 500.0000 -47.38240 -43.53034 3.85206 2.43840 -43.38970 1095.49248 FREEZING PROCESS: loop number 3 T-loop= 1081.0000000000000 main_MD> interactions number 3 at Temperature= 1081.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.16613 0.77487 -0.10779 force_rgl> df(natom) -0.45862 0.44572 2.91680 505.0000 -46.02436 -43.24467 2.77969 2.44150 -43.36616 1135.52427 510.0000 -46.40242 -43.10672 3.29570 2.46209 -43.20937 1190.83127 515.0000 -47.59207 -43.42126 4.17081 2.37670 -43.85934 1035.42457 520.0000 -46.83983 -43.85295 2.98688 2.43104 -43.44578 1110.66098 525.0000 -46.81927 -43.27228 3.54698 2.37718 -43.85570 1061.93294 530.0000 -46.07520 -43.32017 2.75503 2.50141 -42.91009 1188.81698 535.0000 -46.09148 -42.87729 3.21419 2.46979 -43.15082 1215.63548 540.0000 -44.90719 -42.39278 2.51441 2.49604 -42.95097 1286.69499 545.0000 -46.33874 -42.92008 3.41866 2.48931 -43.00221 1187.50676 550.0000 -47.61359 -45.17592 2.43767 2.31757 -44.30943 1104.54333 555.0000 -47.09319 -43.93338 3.15980 2.30193 -44.42849 1027.70215 560.0000 -46.99328 -44.72527 2.26801 2.31561 -44.32438 1027.32189 565.0000 -47.03706 -44.68530 2.35176 2.31518 -44.32766 990.58630 570.0000 -46.65535 -42.78541 3.86994 2.37305 -43.88713 1087.85159 575.0000 -45.95028 -43.13358 2.81670 2.51725 -42.78956 1281.32324 580.0000 -47.47931 -43.99254 3.48677 2.35188 -44.04828 1026.30157 585.0000 -47.28680 -43.83478 3.45203 2.39205 -43.74253 1108.65400 590.0000 -46.77101 -43.53040 3.24062 2.35309 -44.03910 1037.63257 595.0000 -46.06307 -42.12772 3.93535 2.47869 -43.08303 1156.94360 600.0000 -45.99462 -43.16557 2.82905 2.47990 -43.07387 1217.33678 605.0000 -45.79984 -42.62426 3.17558 2.47859 -43.08378 1125.22720 610.0000 -47.12828 -44.28641 2.84187 2.47721 -43.09431 1196.96656 615.0000 -46.40042 -43.24315 3.15727 2.39201 -43.74281 1074.83005 620.0000 -45.78148 -42.90484 2.87665 2.50700 -42.86756 1282.92213 625.0000 -47.46431 -43.59656 3.86775 2.41216 -43.58949 1105.36518 630.0000 -47.01678 -45.10861 1.90817 2.32991 -44.21549 1082.99283 635.0000 -46.95719 -44.40048 2.55671 2.21817 -45.06602 874.17477 640.0000 -46.30947 -43.45723 2.85224 2.33347 -44.18841 1053.28745 645.0000 -47.14176 -44.19206 2.94969 2.29305 -44.49608 972.47968 650.0000 -48.01003 -45.01911 2.99092 2.23414 -44.94450 944.58486 655.0000 -47.15981 -44.30541 2.85440 2.27498 -44.63361 1058.30496 660.0000 -46.26818 -44.19477 2.07342 2.31374 -44.33862 1038.60694 665.0000 -46.49510 -43.37835 3.11675 2.33844 -44.15059 1052.70877 670.0000 -47.10986 -43.80962 3.30023 2.52072 -42.76310 1249.50050 675.0000 -45.89656 -43.09105 2.80551 2.45394 -43.27147 1169.10042 680.0000 -46.64651 -43.13012 3.51639 2.48841 -43.00903 1224.02698 685.0000 -46.03104 -43.58197 2.44907 2.51875 -42.77812 1220.14767 690.0000 -46.52618 -43.20021 3.32598 2.41491 -43.56854 1066.57630 695.0000 -47.94726 -43.26003 4.68723 2.45041 -43.29831 1277.92542 700.0000 -46.34977 -43.38435 2.96542 2.49332 -42.97169 1253.75178 705.0000 -47.36048 -44.74632 2.61415 2.30655 -44.39328 1019.25390 710.0000 -46.78824 -43.37922 3.40902 2.34901 -44.07016 1060.06088 715.0000 -44.39975 -41.94330 2.45646 2.48132 -43.06300 1198.58140 720.0000 -45.19525 -42.54241 2.65285 2.55552 -42.49826 1229.62465 725.0000 -46.39516 -43.39103 3.00413 2.55714 -42.48595 1320.26724 730.0000 -45.64005 -42.85480 2.78525 2.38227 -43.81699 1068.57219 735.0000 -47.29899 -44.35739 2.94160 2.36740 -43.93013 1067.58271 740.0000 -46.74230 -43.08590 3.65640 2.44564 -43.33459 1129.62410 745.0000 -45.30087 -42.33105 2.96982 2.53453 -42.65799 1235.80223 750.0000 -46.49141 -42.99147 3.49994 2.55653 -42.49057 1253.27460 FREEZING PROCESS: loop number 4 T-loop= 1056.0000000000000 main_MD> interactions number 4 at Temperature= 1056.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.89180 0.09294 -2.60844 force_rgl> df(natom) -1.41214 2.48860 -0.36435 755.0000 -45.76305 -41.69288 4.07017 2.63441 -41.89773 1383.16965 760.0000 -45.59454 -42.30418 3.29037 2.50106 -42.91274 1198.21275 765.0000 -46.34027 -43.68650 2.65377 2.49820 -42.93456 1261.91066 770.0000 -47.39484 -45.33590 2.05895 2.33609 -44.16845 1059.86048 775.0000 -48.07485 -45.39232 2.68253 2.14911 -45.59170 878.57449 780.0000 -47.77950 -44.99600 2.78350 2.20092 -45.19738 922.43843 785.0000 -47.00591 -43.52595 3.47996 2.34249 -44.11972 1117.69309 790.0000 -47.25788 -44.64552 2.61236 2.38232 -43.81658 1077.71585 795.0000 -47.54146 -44.88192 2.65954 2.25435 -44.79065 937.68087 800.0000 -48.41143 -46.03781 2.37362 2.13658 -45.68706 838.09709 805.0000 -46.91961 -44.86270 2.05691 2.23732 -44.92029 978.09479 810.0000 -47.52757 -44.94850 2.57907 2.23914 -44.90640 893.36633 815.0000 -46.71923 -44.42713 2.29210 2.33535 -44.17413 1055.69453 820.0000 -46.88211 -43.33117 3.55094 2.26954 -44.67506 981.83916 825.0000 -45.67676 -42.62883 3.04792 2.51456 -42.81002 1196.68764 830.0000 -47.40824 -43.95241 3.45583 2.41595 -43.56057 1096.97691 835.0000 -46.77036 -44.35301 2.41735 2.32187 -44.27672 994.24105 840.0000 -45.86528 -44.11618 1.74910 2.30592 -44.39814 969.68024 845.0000 -46.63507 -44.37601 2.25906 2.35953 -43.99009 1090.64975 850.0000 -47.73577 -44.60140 3.13437 2.29846 -44.45487 992.06181 855.0000 -46.83861 -43.04063 3.79798 2.33925 -44.14442 1054.36404 860.0000 -46.47970 -43.54674 2.93296 2.39835 -43.69454 1071.15059 865.0000 -46.40349 -43.60606 2.79744 2.36393 -43.95653 1050.51119 870.0000 -46.68714 -44.40327 2.28388 2.42291 -43.50761 1126.01444 875.0000 -46.71158 -43.59054 3.12104 2.34589 -44.09391 1002.75852 880.0000 -45.36069 -43.16757 2.19312 2.42863 -43.46412 1080.33190 885.0000 -47.49688 -44.08149 3.41539 2.45165 -43.28886 1117.92238 890.0000 -45.76746 -42.58792 3.17954 2.41568 -43.56269 1117.79006 895.0000 -46.32225 -43.70877 2.61347 2.42452 -43.49539 1170.09857 900.0000 -46.84741 -44.28197 2.56545 2.45555 -43.25917 1125.14787 905.0000 -47.38043 -44.63808 2.74235 2.32366 -44.26312 1054.93219 910.0000 -46.87128 -43.75232 3.11896 2.35337 -44.03691 1056.04949 915.0000 -46.60441 -43.49639 3.10802 2.35632 -44.01451 1027.13792 920.0000 -47.17804 -44.18003 2.99801 2.41415 -43.57429 1169.24826 925.0000 -47.08717 -45.09962 1.98755 2.30364 -44.41545 998.16930 930.0000 -47.01031 -44.32690 2.68341 2.28280 -44.57413 961.63297 935.0000 -46.26431 -43.47138 2.79293 2.38409 -43.80311 1093.98367 940.0000 -46.23973 -42.72998 3.50975 2.46640 -43.17661 1175.94239 945.0000 -46.42655 -43.89789 2.52866 2.45533 -43.26088 1157.99696 950.0000 -47.17336 -44.10857 3.06479 2.31449 -44.33291 980.69240 955.0000 -46.71647 -44.26880 2.44767 2.33001 -44.21475 983.83693 960.0000 -47.46832 -44.48953 2.97879 2.34296 -44.11616 982.17089 965.0000 -47.06030 -44.10089 2.95941 2.33553 -44.17270 1032.97852 970.0000 -45.57390 -43.26868 2.30522 2.40035 -43.67934 1150.84413 975.0000 -46.27955 -42.84793 3.43162 2.43631 -43.40561 1152.27070 980.0000 -46.28357 -43.56205 2.72152 2.43191 -43.43909 1141.51804 985.0000 -45.95803 -43.24102 2.71701 2.41987 -43.53074 1137.02821 990.0000 -47.85217 -45.08723 2.76494 2.35462 -44.02742 1071.95087 995.0000 -48.10070 -44.89439 3.20632 2.20888 -45.13677 882.41909 1000.0000 -46.70459 -43.34248 3.36211 2.33000 -44.21481 1042.82422 FREEZING PROCESS: loop number 5 T-loop= 1031.0000000000000 main_MD> interactions number 5 at Temperature= 1031.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.28970 -0.64196 -3.07147 force_rgl> df(natom) -11.15742 5.51193 7.50028 1005.0000 -46.16618 -42.98644 3.17975 2.47632 -43.10105 1187.75523 1010.0000 -45.74719 -43.13430 2.61289 2.48237 -43.05501 1055.23671 1015.0000 -46.92237 -43.19675 3.72563 2.49786 -42.93712 1157.63135 1020.0000 -45.23948 -42.48954 2.74994 2.45801 -43.24049 1131.94289 1025.0000 -47.33749 -44.52870 2.80879 2.40694 -43.62919 1158.45883 1030.0000 -46.84054 -44.54870 2.29184 2.34676 -44.08727 1031.80171 1035.0000 -47.81110 -45.11160 2.69950 2.25167 -44.81105 954.64531 1040.0000 -46.13715 -43.25381 2.88334 2.29790 -44.45919 938.68689 1045.0000 -46.17270 -42.84253 3.33017 2.47956 -43.07641 1139.15632 1050.0000 -46.25666 -44.14738 2.10929 2.40590 -43.63711 1123.68364 1055.0000 -47.56827 -44.47077 3.09750 2.30496 -44.40545 1027.17153 1060.0000 -48.30664 -46.41191 1.89473 2.09566 -45.99857 796.74513 1065.0000 -46.25993 -44.44217 1.81775 2.12478 -45.77686 754.34370 1070.0000 -47.38563 -44.43856 2.94707 2.38045 -43.83080 1086.12318 1075.0000 -45.91365 -43.32673 2.58692 2.50818 -42.85859 1254.93164 1080.0000 -45.69453 -43.46544 2.22909 2.38638 -43.78570 1094.57953 1085.0000 -46.85730 -43.78938 3.06792 2.42638 -43.48118 1100.14266 1090.0000 -47.32718 -44.19964 3.12754 2.42426 -43.49732 1053.95048 1095.0000 -46.61770 -43.14209 3.47561 2.40141 -43.67132 1088.51457 1100.0000 -47.12941 -43.66136 3.46805 2.36858 -43.92118 1076.02869 1105.0000 -47.54744 -45.19447 2.35296 2.30983 -44.36839 1004.08817 1110.0000 -47.70453 -44.93981 2.76473 2.21239 -45.11002 934.39620 1115.0000 -48.13813 -45.28450 2.85364 2.25665 -44.77315 1027.82273 1120.0000 -46.76334 -43.56934 3.19400 2.31058 -44.36262 1053.99542 1125.0000 -47.30792 -44.36880 2.93912 2.39100 -43.75050 1095.69965 1130.0000 -47.21462 -44.12685 3.08778 2.28132 -44.58537 947.10331 1135.0000 -47.14195 -44.49730 2.64465 2.25360 -44.79637 957.78671 1140.0000 -47.38239 -44.91982 2.46257 2.25827 -44.76082 911.83885 1145.0000 -47.49612 -43.67005 3.82607 2.26006 -44.74719 992.10705 1150.0000 -47.12718 -44.24034 2.88684 2.33810 -44.15318 1083.86483 1155.0000 -47.39112 -44.40157 2.98955 2.37101 -43.90264 1040.18445 1160.0000 -47.07203 -44.62189 2.45014 2.33874 -44.14829 1016.55315 1165.0000 -47.38945 -44.23852 3.15093 2.30296 -44.42064 1035.98621 1170.0000 -45.57574 -42.36089 3.21485 2.38229 -43.81681 1088.63502 1175.0000 -46.26763 -42.40908 3.85855 2.54219 -42.59970 1223.11963 1180.0000 -46.15780 -43.62324 2.53456 2.45778 -43.24218 1169.17425 1185.0000 -47.11634 -44.51932 2.59701 2.34720 -44.08392 919.63085 1190.0000 -46.60544 -43.87391 2.73153 2.33054 -44.21069 1042.77865 1195.0000 -45.90224 -43.68398 2.21826 2.33592 -44.16979 1017.38193 1200.0000 -46.96235 -44.70256 2.25979 2.35562 -44.01980 987.69559 1205.0000 -46.99093 -44.65769 2.33323 2.24326 -44.87504 962.50523 1210.0000 -46.34666 -43.82956 2.51710 2.32710 -44.23693 1024.53327 1215.0000 -47.11557 -44.23173 2.88384 2.38355 -43.80725 1054.39543 1220.0000 -47.46998 -45.09523 2.37475 2.29901 -44.45074 1011.87476 1225.0000 -46.62391 -44.16371 2.46019 2.30281 -44.42175 1010.56011 1230.0000 -46.44225 -43.86914 2.57311 2.36921 -43.91636 1149.24228 1235.0000 -46.56806 -43.92530 2.64276 2.35614 -44.01586 1042.39097 1240.0000 -47.62863 -45.11229 2.51634 2.33142 -44.20401 1044.46071 1245.0000 -47.32296 -44.38376 2.93920 2.26851 -44.68285 1014.96404 1250.0000 -47.13592 -44.59097 2.54495 2.26731 -44.69204 1015.07471 FREEZING PROCESS: loop number 6 T-loop= 1006.0000000000000 main_MD> interactions number 6 at Temperature= 1006.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.75915 2.15954 1.69810 force_rgl> df(natom) -0.06516 0.31243 -2.48623 1255.0000 -46.49962 -44.08978 2.40984 2.33304 -44.19168 993.88332 1260.0000 -46.15572 -42.95066 3.20506 2.39846 -43.69374 1073.27135 1265.0000 -45.48607 -42.27480 3.21127 2.52389 -42.73903 1228.52458 1270.0000 -46.04224 -42.49011 3.55213 2.51062 -42.84000 1162.06892 1275.0000 -46.01253 -42.76467 3.24786 2.51561 -42.80202 1232.78535 1280.0000 -46.30620 -42.67965 3.62655 2.47197 -43.13417 1162.85503 1285.0000 -48.35635 -45.14853 3.20782 2.28553 -44.55329 1006.93082 1290.0000 -47.27793 -44.68278 2.59514 2.29696 -44.46631 1000.76953 1295.0000 -47.47342 -44.05992 3.41350 2.29791 -44.45908 983.83625 1300.0000 -47.07370 -43.09156 3.98213 2.41773 -43.54702 1172.07614 1305.0000 -47.06952 -44.70807 2.36144 2.45231 -43.28386 1150.57434 1310.0000 -46.76118 -44.34848 2.41270 2.30335 -44.41764 991.67173 1315.0000 -47.70799 -44.53261 3.17538 2.32866 -44.22499 1039.23149 1320.0000 -47.59337 -43.83021 3.76316 2.32931 -44.22010 1079.67163 1325.0000 -47.47427 -44.58128 2.89299 2.31656 -44.31714 982.63825 1330.0000 -47.63198 -44.62987 3.00212 2.33612 -44.16826 1011.42260 1335.0000 -47.65732 -44.85981 2.79751 2.22684 -45.00006 1027.03737 1340.0000 -47.71057 -44.85745 2.85312 2.24490 -44.86255 996.19954 1345.0000 -47.08024 -44.52672 2.55352 2.26922 -44.67749 998.96904 1350.0000 -46.82445 -43.65564 3.16881 2.27906 -44.60253 1000.88728 1355.0000 -46.83503 -43.19063 3.64440 2.48145 -43.06205 1181.77432 1360.0000 -47.16689 -44.15560 3.01130 2.37449 -43.87619 1060.72010 1365.0000 -47.68019 -44.94214 2.73805 2.34266 -44.11850 1069.26719 1370.0000 -47.17813 -44.86565 2.31248 2.20670 -45.15337 949.17511 1375.0000 -46.25437 -42.55583 3.69854 2.43834 -43.39015 1140.45574 1380.0000 -46.81081 -42.82999 3.98082 2.56711 -42.41004 1279.18737 1385.0000 -46.76240 -43.45340 3.30900 2.47349 -43.12266 1138.04462 1390.0000 -47.55827 -44.10194 3.45633 2.35819 -44.00022 1033.93325 1395.0000 -48.00912 -44.53294 3.47618 2.31479 -44.33061 1041.98259 1400.0000 -47.56291 -45.57899 1.98392 2.18552 -45.31456 855.26723 1405.0000 -47.56723 -44.82549 2.74175 2.19248 -45.26156 804.32747 1410.0000 -47.02067 -44.31681 2.70386 2.29239 -44.50109 1044.85113 1415.0000 -46.73921 -43.46762 3.27158 2.41074 -43.60024 1122.42213 1420.0000 -45.46517 -42.68938 2.77579 2.50052 -42.91690 1176.34329 1425.0000 -45.95107 -43.40821 2.54286 2.44835 -43.31396 1062.88354 1430.0000 -46.09029 -42.48675 3.60354 2.54223 -42.59942 1192.62129 1435.0000 -45.67600 -42.45036 3.22564 2.59005 -42.23544 1217.09435 1440.0000 -46.61138 -42.81144 3.79994 2.56987 -42.38901 1276.58172 1445.0000 -47.50630 -43.94007 3.56623 2.39031 -43.75577 1062.89592 1450.0000 -46.36461 -43.36749 2.99712 2.41053 -43.60188 1173.12494 1455.0000 -46.58416 -44.44893 2.13523 2.37859 -43.84499 1053.81888 1460.0000 -46.92658 -43.94364 2.98295 2.35516 -44.02335 1064.27283 1465.0000 -47.65532 -45.37141 2.28391 2.24977 -44.82553 967.20722 1470.0000 -48.16718 -45.39634 2.77084 2.24495 -44.86223 1007.03926 1475.0000 -47.84760 -45.52485 2.32275 2.12827 -45.75034 914.37251 1480.0000 -47.94147 -44.90803 3.03344 2.20681 -45.15247 938.44379 1485.0000 -47.64279 -44.59635 3.04644 2.22510 -45.01329 912.30068 1490.0000 -48.19427 -45.85682 2.33745 2.16010 -45.50807 860.28829 1495.0000 -46.94702 -44.73034 2.21667 2.21382 -45.09917 879.21512 1500.0000 -47.30082 -44.71219 2.58863 2.26987 -44.67250 960.49800 FREEZING PROCESS: loop number 7 T-loop= 981.00000000000000 main_MD> interactions number 7 at Temperature= 981.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.54222 -0.82098 -2.73574 force_rgl> df(natom) 1.19604 3.00007 1.73781 1505.0000 -47.73833 -44.87949 2.85884 2.27016 -44.67034 981.96304 1510.0000 -48.06560 -45.88752 2.17807 2.18870 -45.29033 871.25360 1515.0000 -46.90203 -44.96285 1.93918 2.14964 -45.58763 891.44626 1520.0000 -47.95063 -45.50286 2.44778 2.27817 -44.60937 1020.82729 1525.0000 -47.67769 -44.78799 2.88970 2.23661 -44.92567 917.16066 1530.0000 -48.58687 -45.94879 2.63808 2.20328 -45.17937 873.94348 1535.0000 -48.28617 -45.95714 2.32903 2.13238 -45.71903 815.13272 1540.0000 -47.97100 -45.18374 2.78726 2.20419 -45.17248 893.49067 1545.0000 -47.76608 -45.33890 2.42718 2.13230 -45.71968 882.26086 1550.0000 -47.63219 -44.58715 3.04505 2.22145 -45.04111 934.42788 1555.0000 -46.34403 -43.32857 3.01546 2.39215 -43.74177 1087.08161 1560.0000 -46.73251 -43.39676 3.33575 2.45176 -43.28803 1175.70656 1565.0000 -47.66834 -43.85489 3.81345 2.41725 -43.55068 1144.25113 1570.0000 -46.87410 -43.72124 3.15287 2.42165 -43.51721 1162.22395 1575.0000 -47.24527 -44.73325 2.51202 2.35663 -44.01214 1095.58926 1580.0000 -47.35339 -43.68849 3.66490 2.29619 -44.47219 997.42962 1585.0000 -48.12996 -44.97438 3.15558 2.30749 -44.38618 947.23749 1590.0000 -47.47848 -45.15028 2.32820 2.22410 -45.02093 872.54184 1595.0000 -48.44646 -45.51365 2.93282 2.17315 -45.40875 873.46211 1600.0000 -47.68390 -45.31183 2.37207 2.18712 -45.30240 876.22486 1605.0000 -47.23514 -45.12972 2.10542 2.25774 -44.76484 932.19961 1610.0000 -46.70407 -43.12004 3.58403 2.35040 -44.05957 1023.30409 1615.0000 -47.50759 -45.14054 2.36705 2.36940 -43.91490 1073.98532 1620.0000 -48.03800 -45.94586 2.09214 2.14007 -45.66052 839.93824 1625.0000 -47.36002 -44.43451 2.92552 2.14819 -45.59869 860.10912 1630.0000 -46.93647 -44.52783 2.40864 2.22429 -45.01944 901.77559 1635.0000 -46.01798 -43.88603 2.13195 2.31780 -44.30768 961.36673 1640.0000 -45.56074 -43.17955 2.38119 2.46901 -43.15676 1148.62170 1645.0000 -46.21903 -42.94033 3.27870 2.50979 -42.84633 1177.26891 1650.0000 -47.31084 -45.06690 2.24394 2.37059 -43.90585 1046.59793 1655.0000 -46.65798 -43.92487 2.73311 2.29655 -44.46943 992.28128 1660.0000 -46.90904 -44.15646 2.75259 2.30226 -44.42599 1016.32650 1665.0000 -48.23725 -45.51320 2.72405 2.30386 -44.41378 956.46303 1670.0000 -47.09741 -44.39929 2.69812 2.26641 -44.69884 942.57583 1675.0000 -47.46387 -44.57449 2.88938 2.26249 -44.72872 1027.98794 1680.0000 -47.35316 -45.03623 2.31693 2.24142 -44.88909 957.00227 1685.0000 -47.63078 -44.87111 2.75967 2.18940 -45.28505 905.45978 1690.0000 -47.02515 -44.41816 2.60699 2.31054 -44.36293 998.44130 1695.0000 -47.89902 -44.97682 2.92220 2.19832 -45.21715 943.25860 1700.0000 -46.89206 -43.54724 3.34482 2.35513 -44.02357 1025.81868 1705.0000 -45.96942 -42.88177 3.08766 2.50920 -42.85079 1200.47052 1710.0000 -45.61355 -42.04288 3.57067 2.55299 -42.51753 1291.33862 1715.0000 -47.70016 -45.00307 2.69710 2.37220 -43.89359 1077.38248 1720.0000 -47.62761 -44.40633 3.22128 2.28227 -44.57813 1023.79300 1725.0000 -48.29326 -45.59255 2.70071 2.15647 -45.53571 848.37961 1730.0000 -48.06378 -45.82932 2.23446 2.11872 -45.82305 841.27035 1735.0000 -48.31654 -46.57676 1.73978 2.07217 -46.17737 794.51018 1740.0000 -48.45162 -46.45512 1.99650 2.04542 -46.38097 790.82707 1745.0000 -48.65375 -45.51539 3.13837 2.09599 -45.99601 836.21866 1750.0000 -47.10751 -44.33792 2.76959 2.23803 -44.91490 946.86502 FREEZING PROCESS: loop number 8 T-loop= 956.00000000000000 main_MD> interactions number 8 at Temperature= 956.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.49307 1.70665 2.70642 force_rgl> df(natom) 1.60607 1.23937 1.28036 1755.0000 -47.41663 -44.89464 2.52200 2.25425 -44.79144 972.54733 1760.0000 -47.21793 -45.77670 1.44123 2.15317 -45.56077 837.63219 1765.0000 -47.76062 -44.70131 3.05931 2.19610 -45.23405 923.90872 1770.0000 -46.68676 -44.31949 2.36727 2.33592 -44.16975 1028.93912 1775.0000 -46.48324 -43.20947 3.27377 2.37906 -43.84137 1142.78493 1780.0000 -46.96067 -43.71023 3.25045 2.40540 -43.64092 1122.08624 1785.0000 -46.60661 -43.76817 2.83845 2.40070 -43.67667 1108.49456 1790.0000 -47.85253 -45.39519 2.45734 2.34856 -44.07352 1084.89515 1795.0000 -47.70548 -44.60275 3.10273 2.20753 -45.14702 908.92466 1800.0000 -48.01527 -45.12695 2.88831 2.26411 -44.71632 915.08112 1805.0000 -47.16172 -44.04371 3.11801 2.35524 -44.02271 1079.13181 1810.0000 -46.89763 -44.05034 2.84729 2.34374 -44.11025 1054.14624 1815.0000 -46.95646 -43.69689 3.25958 2.32932 -44.22002 976.68940 1820.0000 -47.02513 -44.34109 2.68404 2.29848 -44.45473 1047.54774 1825.0000 -45.93169 -43.39223 2.53947 2.33608 -44.16855 999.44029 1830.0000 -46.53116 -44.20940 2.32176 2.44297 -43.35491 1153.80218 1835.0000 -47.41547 -45.06735 2.34812 2.29732 -44.46354 973.58762 1840.0000 -47.06663 -44.40054 2.66609 2.26966 -44.67409 954.87107 1845.0000 -47.67792 -44.65390 3.02402 2.25645 -44.77467 989.54188 1850.0000 -47.97364 -44.80478 3.16886 2.24931 -44.82904 944.36687 1855.0000 -47.52707 -45.57012 1.95695 2.24790 -44.83973 916.10242 1860.0000 -47.30832 -44.39134 2.91697 2.21354 -45.10127 913.62315 1865.0000 -46.84630 -44.51346 2.33284 2.33769 -44.15627 1046.21356 1870.0000 -46.82046 -44.60929 2.21117 2.29447 -44.48526 950.52901 1875.0000 -47.01163 -45.05906 1.95258 2.23115 -44.96725 983.93777 1880.0000 -47.96190 -44.98284 2.97906 2.22846 -44.98772 913.59753 1885.0000 -47.32878 -44.74873 2.58005 2.17479 -45.39626 839.86527 1890.0000 -47.82760 -44.94304 2.88456 2.25864 -44.75801 895.37183 1895.0000 -47.47233 -45.27526 2.19707 2.26478 -44.71123 918.21213 1900.0000 -47.20689 -45.01372 2.19317 2.15364 -45.55720 825.48104 1905.0000 -47.80314 -45.87918 1.92396 2.16065 -45.50387 814.08110 1910.0000 -48.08280 -45.94828 2.13451 2.14590 -45.61610 874.71075 1915.0000 -46.71501 -44.36663 2.34838 2.18739 -45.30029 886.54558 1920.0000 -45.49476 -43.57732 1.91744 2.34016 -44.13751 939.77915 1925.0000 -47.35354 -44.70705 2.64649 2.35817 -44.00040 1008.02468 1930.0000 -49.07438 -46.83258 2.24180 2.14327 -45.63619 820.95399 1935.0000 -48.06992 -45.31923 2.75069 2.07496 -46.15608 813.51042 1940.0000 -48.37646 -45.80079 2.57567 2.18467 -45.32104 834.18638 1945.0000 -48.30853 -46.10774 2.20079 2.06636 -46.22157 775.86795 1950.0000 -47.54173 -45.19922 2.34251 2.11409 -45.85827 829.15083 1955.0000 -47.46492 -45.39217 2.07274 2.20502 -45.16614 854.64353 1960.0000 -47.43226 -44.87779 2.55447 2.24068 -44.89471 966.95994 1965.0000 -47.58824 -44.79596 2.79228 2.24108 -44.89162 955.76065 1970.0000 -47.22679 -43.69525 3.53154 2.30447 -44.40913 996.25188 1975.0000 -47.37075 -44.26077 3.10999 2.35397 -44.03240 1045.00995 1980.0000 -46.57829 -44.12745 2.45084 2.29666 -44.46859 999.60043 1985.0000 -47.55549 -44.51969 3.03580 2.30655 -44.39332 928.68305 1990.0000 -47.56805 -45.05196 2.51609 2.27118 -44.66255 994.83933 1995.0000 -47.94107 -45.91283 2.02824 2.18633 -45.30840 940.33736 2000.0000 -48.13144 -45.87944 2.25200 2.11728 -45.83396 829.61890 FREEZING PROCESS: loop number 9 T-loop= 931.00000000000000 main_MD> interactions number 9 at Temperature= 931.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.22824 -1.65513 2.89156 force_rgl> df(natom) -1.54710 -1.22358 5.38925 2005.0000 -48.23033 -45.29685 2.93347 2.15728 -45.52954 847.04541 2010.0000 -46.93798 -44.98379 1.95419 2.24568 -44.85661 937.67180 2015.0000 -46.45477 -43.63007 2.82470 2.39678 -43.70650 1097.70348 2020.0000 -47.56325 -44.14066 3.42259 2.39604 -43.71214 1028.51873 2025.0000 -47.10600 -44.68334 2.42266 2.27049 -44.66779 964.30169 2030.0000 -47.29530 -44.28857 3.00673 2.36664 -43.93591 952.96802 2035.0000 -47.48818 -44.68156 2.80662 2.34000 -44.13874 1041.16923 2040.0000 -47.47403 -44.93465 2.53938 2.22468 -45.01645 902.78494 2045.0000 -48.50348 -45.50285 3.00064 2.23760 -44.91817 950.21826 2050.0000 -48.09310 -45.81674 2.27636 2.21740 -45.07187 919.44810 2055.0000 -47.49874 -45.23660 2.26213 2.18034 -45.35402 867.69672 2060.0000 -46.52178 -44.89247 1.62930 2.25572 -44.78025 951.16216 2065.0000 -47.43757 -44.10403 3.33354 2.31425 -44.33469 958.47519 2070.0000 -47.42808 -45.30531 2.12277 2.29362 -44.49176 982.89104 2075.0000 -47.44221 -44.97533 2.46688 2.23791 -44.91577 972.20225 2080.0000 -47.31672 -44.74109 2.57563 2.24434 -44.86687 938.27264 2085.0000 -48.04637 -45.90512 2.14125 2.19801 -45.21952 849.35941 2090.0000 -48.57394 -45.72036 2.85358 2.09923 -45.97139 824.70721 2095.0000 -47.50040 -45.50734 1.99307 2.12155 -45.80144 822.36878 2100.0000 -48.26879 -45.77819 2.49060 2.08850 -46.05307 790.49306 2105.0000 -48.36830 -46.25516 2.11314 2.13111 -45.72870 872.72736 2110.0000 -48.03193 -46.07529 1.95664 2.07190 -46.17937 787.47196 2115.0000 -47.03840 -45.52188 1.51652 2.18277 -45.33548 864.33313 2120.0000 -47.75554 -45.63364 2.12190 2.12018 -45.81189 874.56267 2125.0000 -47.71419 -46.18802 1.52617 2.05050 -46.34232 761.96971 2130.0000 -48.06988 -45.16210 2.90778 2.15767 -45.52653 878.65302 2135.0000 -47.33397 -44.70466 2.62931 2.22435 -45.01897 992.08496 2140.0000 -47.18318 -44.42631 2.75686 2.30531 -44.40279 1011.77507 2145.0000 -47.01326 -44.40525 2.60801 2.31011 -44.36620 994.69907 2150.0000 -47.71105 -44.99234 2.71872 2.20664 -45.15380 875.74948 2155.0000 -48.27223 -45.76798 2.50425 2.16452 -45.47437 841.85319 2160.0000 -48.10796 -45.88929 2.21867 2.09078 -46.03572 768.75722 2165.0000 -46.45068 -44.24910 2.20158 2.23309 -44.95247 894.71292 2170.0000 -46.93380 -44.88449 2.04931 2.31620 -44.31986 1038.48758 2175.0000 -46.91453 -43.89979 3.01474 2.27488 -44.63438 941.43242 2180.0000 -48.32629 -45.92170 2.40459 2.22212 -45.03601 946.45875 2185.0000 -48.00125 -45.31622 2.68503 2.16864 -45.44306 873.58897 2190.0000 -46.30410 -44.69770 1.60640 2.18870 -45.29033 912.23258 2195.0000 -46.90256 -44.55520 2.34736 2.29304 -44.49616 975.21469 2200.0000 -47.31834 -45.11908 2.19925 2.25148 -44.81252 956.66385 2205.0000 -47.33523 -44.29714 3.03809 2.27326 -44.64668 956.55471 2210.0000 -47.11050 -45.01178 2.09872 2.22150 -45.04068 919.37281 2215.0000 -46.95043 -43.82807 3.12236 2.29706 -44.46555 945.34000 2220.0000 -47.00550 -44.34210 2.66340 2.39037 -43.75534 1139.67787 2225.0000 -48.19586 -46.36964 1.82621 2.17721 -45.37784 870.73467 2230.0000 -47.65237 -45.23865 2.41372 2.15727 -45.52956 806.89972 2235.0000 -48.53035 -45.44179 3.08856 2.12629 -45.76543 857.84127 2240.0000 -47.40355 -45.34733 2.05622 2.09004 -46.04131 829.61539 2245.0000 -47.58702 -45.25053 2.33649 2.23495 -44.93830 978.86582 2250.0000 -47.41940 -45.22621 2.19319 2.24163 -44.88744 901.64260 FREEZING PROCESS: loop number 10 T-loop= 906.00000000000000 main_MD> interactions number 10 at Temperature= 906.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.04109 -0.07772 -4.11101 force_rgl> df(natom) -0.85561 2.85439 0.90898 2255.0000 -46.98643 -45.23617 1.75026 2.16859 -45.44344 839.30079 2260.0000 -48.78529 -45.33972 3.44557 2.19147 -45.26931 910.07422 2265.0000 -47.46536 -45.58230 1.88306 2.19183 -45.26649 898.77189 2270.0000 -47.47097 -45.13545 2.33552 2.14028 -45.65893 845.44012 2275.0000 -48.04223 -45.46592 2.57631 2.20382 -45.17528 849.87681 2280.0000 -47.94378 -45.78295 2.16083 2.14364 -45.63334 814.50095 2285.0000 -47.33019 -45.31646 2.01373 2.13766 -45.67884 825.87412 2290.0000 -47.08016 -44.66941 2.41074 2.23117 -44.96708 976.16991 2295.0000 -47.54940 -44.12251 3.42689 2.31158 -44.35500 1004.91921 2300.0000 -46.32766 -43.33085 2.99681 2.39870 -43.69193 1146.42768 2305.0000 -47.33236 -44.93140 2.40096 2.34368 -44.11067 1039.50035 2310.0000 -46.98912 -44.01951 2.96961 2.25388 -44.79420 940.97819 2315.0000 -47.53137 -44.94535 2.58602 2.28166 -44.58280 960.29856 2320.0000 -47.55400 -45.69876 1.85524 2.17126 -45.42313 881.53006 2325.0000 -47.15020 -44.28002 2.87018 2.24967 -44.82623 841.76856 2330.0000 -47.91659 -45.00185 2.91474 2.23053 -44.97199 903.33440 2335.0000 -47.79014 -44.63418 3.15596 2.21562 -45.08543 916.16982 2340.0000 -47.49762 -44.36334 3.13428 2.24713 -44.84558 958.31422 2345.0000 -46.92424 -44.84653 2.07771 2.28711 -44.54129 1005.73628 2350.0000 -47.79979 -45.60777 2.19201 2.19088 -45.27378 843.28494 2355.0000 -47.85229 -44.96161 2.89068 2.16640 -45.46006 872.37518 2360.0000 -48.15767 -45.03697 3.12070 2.20081 -45.19816 894.08784 2365.0000 -46.61337 -44.37061 2.24276 2.19871 -45.21413 899.06486 2370.0000 -47.58075 -44.96813 2.61262 2.28033 -44.59287 931.85857 2375.0000 -46.58713 -43.59529 2.99184 2.27084 -44.66515 941.33530 2380.0000 -47.37875 -44.86465 2.51410 2.31960 -44.29397 1041.87359 2385.0000 -47.51102 -45.01150 2.49952 2.20916 -45.13461 928.35080 2390.0000 -47.46619 -45.18604 2.28015 2.19266 -45.26020 881.13539 2395.0000 -48.40832 -45.75863 2.64969 2.14218 -45.64445 863.81770 2400.0000 -47.90286 -45.84657 2.05630 2.15303 -45.56188 870.01269 2405.0000 -48.50500 -45.90267 2.60234 2.09417 -46.00990 742.41902 2410.0000 -47.84542 -45.09457 2.75086 2.17212 -45.41658 889.70734 2415.0000 -47.53368 -45.12355 2.41012 2.18390 -45.32686 815.43866 2420.0000 -48.31646 -46.04900 2.26746 2.13234 -45.71933 819.87813 2425.0000 -47.22862 -44.17295 3.05567 2.19552 -45.23842 924.19385 2430.0000 -48.29419 -46.17240 2.12178 2.20126 -45.19475 967.06406 2435.0000 -47.86010 -45.87909 1.98101 2.13766 -45.67883 891.28221 2440.0000 -48.38409 -45.85157 2.53251 2.11024 -45.88754 794.42714 2445.0000 -48.26192 -46.20271 2.05921 2.08061 -46.11308 803.12418 2450.0000 -48.29653 -46.07436 2.22217 2.07718 -46.13923 784.28851 2455.0000 -47.59521 -45.07180 2.52341 2.20071 -45.19893 940.11126 2460.0000 -48.07238 -44.76884 3.30354 2.24402 -44.86927 919.74463 2465.0000 -47.42160 -44.93152 2.49008 2.20727 -45.14898 867.70196 2470.0000 -48.75395 -46.60948 2.14447 2.12164 -45.80078 882.97399 2475.0000 -47.65188 -45.32548 2.32639 2.09588 -45.99689 835.25927 2480.0000 -46.26823 -43.58951 2.67872 2.24570 -44.85646 979.04129 2485.0000 -46.86080 -44.66144 2.19936 2.30965 -44.36971 1007.82175 2490.0000 -47.72643 -44.95989 2.76654 2.28142 -44.58459 937.26987 2495.0000 -47.26036 -44.70799 2.55237 2.18056 -45.35232 880.43401 2500.0000 -47.89832 -45.19092 2.70740 2.26522 -44.70792 943.53327 FREEZING PROCESS: loop number 11 T-loop= 881.00000000000000 main_MD> interactions number 11 at Temperature= 881.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.57250 -0.61146 2.13524 force_rgl> df(natom) -1.07504 -4.99772 0.71375 2505.0000 -47.26965 -44.57877 2.69087 2.26038 -44.74477 1002.79250 2510.0000 -48.26130 -46.31735 1.94396 2.16350 -45.48219 906.04764 2515.0000 -48.40978 -46.48158 1.92820 2.01042 -46.64740 758.54579 2520.0000 -47.64752 -45.37430 2.27321 2.15601 -45.53914 901.51138 2525.0000 -48.55338 -46.15797 2.39542 2.17016 -45.43146 867.76338 2530.0000 -47.62794 -45.79897 1.82897 2.09512 -46.00266 772.64083 2535.0000 -48.27878 -46.31795 1.96083 2.07227 -46.17656 811.64507 2540.0000 -47.90950 -45.67770 2.23180 2.09697 -45.98855 804.20707 2545.0000 -47.39207 -44.36005 3.03202 2.22516 -45.01284 952.18233 2550.0000 -47.54029 -45.02853 2.51177 2.27266 -44.65124 967.71000 2555.0000 -47.49151 -44.73161 2.75989 2.22419 -45.02022 922.68011 2560.0000 -48.27651 -46.19937 2.07713 2.17663 -45.38221 887.76333 2565.0000 -47.65805 -45.19938 2.45867 2.11215 -45.87303 822.91304 2570.0000 -48.13184 -46.07471 2.05713 2.16347 -45.48239 872.34504 2575.0000 -48.83696 -46.67198 2.16497 2.10214 -45.94923 804.85047 2580.0000 -48.33425 -45.60557 2.72868 2.09429 -46.00894 846.32229 2585.0000 -47.50516 -45.39883 2.10633 2.14767 -45.60264 839.02121 2590.0000 -48.18507 -45.59047 2.59460 2.11986 -45.81432 803.36404 2595.0000 -48.27365 -45.71021 2.56344 2.13752 -45.67992 814.13663 2600.0000 -48.21296 -46.35291 1.86006 2.07647 -46.14464 737.88428 2605.0000 -48.57891 -46.70577 1.87313 2.08853 -46.05278 802.74956 2610.0000 -47.48783 -45.67433 1.81350 2.13840 -45.67322 820.40558 2615.0000 -47.09158 -45.29053 1.80105 2.13682 -45.68524 804.14967 2620.0000 -47.23806 -45.27189 1.96617 2.19354 -45.25352 854.52262 2625.0000 -48.22310 -45.78607 2.43703 2.11895 -45.82125 766.98413 2630.0000 -48.10636 -45.58478 2.52158 2.18286 -45.33479 873.15412 2635.0000 -48.33520 -46.27259 2.06261 2.09036 -46.03886 824.62569 2640.0000 -48.65155 -46.45126 2.20029 2.01427 -46.61808 713.99726 2645.0000 -47.68624 -46.03328 1.65296 2.07981 -46.11918 797.41886 2650.0000 -48.14316 -45.97093 2.17224 2.12089 -45.80653 846.01743 2655.0000 -47.82968 -45.62211 2.20757 2.06218 -46.25335 758.08605 2660.0000 -48.56547 -46.18885 2.37663 2.13390 -45.70749 844.26589 2665.0000 -47.87466 -45.93931 1.93536 2.12108 -45.80508 787.87564 2670.0000 -47.33711 -45.06528 2.27184 2.17932 -45.36179 836.44710 2675.0000 -47.39343 -45.55429 1.83915 2.21120 -45.11909 895.78270 2680.0000 -48.71719 -46.03295 2.68424 2.12154 -45.80158 822.73119 2685.0000 -47.67096 -44.78340 2.88756 2.21305 -45.10502 920.25822 2690.0000 -48.07255 -45.62100 2.45155 2.16293 -45.48647 872.20856 2695.0000 -48.29269 -44.62780 3.66489 2.23163 -44.96355 885.76372 2700.0000 -47.29545 -44.39834 2.89711 2.21425 -45.09591 875.18001 2705.0000 -47.04364 -44.47338 2.57027 2.25284 -44.80212 921.88578 2710.0000 -47.51616 -43.91379 3.60238 2.31963 -44.29374 1013.01035 2715.0000 -47.04126 -44.56528 2.47598 2.33822 -44.15227 1049.76792 2720.0000 -47.49920 -45.44730 2.05190 2.15381 -45.55594 841.69111 2725.0000 -48.17417 -46.17176 2.00241 2.06683 -46.21800 685.54895 2730.0000 -47.83611 -45.47593 2.36018 2.14288 -45.63912 873.25814 2735.0000 -48.23196 -45.63463 2.59733 2.21719 -45.07353 936.56195 2740.0000 -47.70170 -44.86545 2.83625 2.17457 -45.39792 894.66011 2745.0000 -47.36467 -45.06504 2.29963 2.17524 -45.39284 858.00447 2750.0000 -48.16088 -46.08195 2.07892 2.18889 -45.28888 910.07806 FREEZING PROCESS: loop number 12 T-loop= 856.00000000000000 main_MD> interactions number 12 at Temperature= 856.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.52818 1.38316 2.97800 force_rgl> df(natom) -0.72073 -0.50006 0.61783 2755.0000 -47.45842 -45.94022 1.51820 2.11530 -45.84908 807.07405 2760.0000 -47.82368 -45.70469 2.11899 2.16269 -45.48835 810.36144 2765.0000 -48.67275 -46.11598 2.55678 2.13165 -45.72457 840.41664 2770.0000 -46.84046 -44.50262 2.33784 2.23817 -44.91383 988.08018 2775.0000 -48.31118 -45.91289 2.39830 2.25401 -44.79320 982.05193 2780.0000 -48.92893 -47.23846 1.69047 2.02614 -46.52774 734.76162 2785.0000 -47.97929 -46.24479 1.73450 2.03605 -46.45227 772.62851 2790.0000 -48.09839 -46.29136 1.80703 2.07340 -46.16801 730.45171 2795.0000 -48.46708 -44.96261 3.50447 2.21949 -45.05602 885.28883 2800.0000 -47.25686 -44.96918 2.28768 2.23298 -44.95332 955.95151 2805.0000 -48.33343 -46.00845 2.32498 2.14901 -45.59243 897.51840 2810.0000 -47.11557 -45.06818 2.04739 2.14407 -45.63005 804.82701 2815.0000 -46.97412 -44.40189 2.57223 2.28845 -44.53108 1055.89322 2820.0000 -47.99811 -44.97693 3.02118 2.32378 -44.26219 981.78398 2825.0000 -48.22328 -45.00302 3.22027 2.19609 -45.23407 888.97461 2830.0000 -47.52969 -45.27126 2.25842 2.15846 -45.52056 885.62122 2835.0000 -47.67519 -44.89267 2.78253 2.24494 -44.86229 897.66511 2840.0000 -47.42259 -45.01927 2.40333 2.14808 -45.59956 837.72542 2845.0000 -48.11746 -45.69251 2.42494 2.18551 -45.31461 900.36527 2850.0000 -47.63529 -45.36958 2.26571 2.22107 -45.04400 977.68877 2855.0000 -48.35006 -45.78900 2.56106 2.11633 -45.84124 872.73687 2860.0000 -48.75647 -46.87867 1.87780 2.03853 -46.43340 691.86836 2865.0000 -47.83947 -44.92142 2.91805 2.07086 -46.18733 730.43830 2870.0000 -47.61424 -45.00891 2.60533 2.18015 -45.35544 924.66366 2875.0000 -47.04564 -44.86919 2.17645 2.21115 -45.11948 909.87197 2880.0000 -47.11746 -44.74566 2.37181 2.24667 -44.84910 967.10187 2885.0000 -47.04498 -44.03067 3.01431 2.28339 -44.56958 924.14814 2890.0000 -47.15687 -44.50348 2.65339 2.21612 -45.08167 896.25036 2895.0000 -47.90889 -45.87383 2.03506 2.20695 -45.15143 839.09492 2900.0000 -47.61836 -45.19400 2.42435 2.12759 -45.75547 820.19478 2905.0000 -46.39124 -43.80135 2.58989 2.30712 -44.38895 1001.96138 2910.0000 -47.76673 -45.06837 2.69836 2.32979 -44.21644 1083.36715 2915.0000 -47.51612 -45.41015 2.10597 2.22273 -45.03135 901.00316 2920.0000 -47.97968 -46.00081 1.97887 2.10380 -45.93658 745.63854 2925.0000 -48.13268 -46.57331 1.55938 2.04669 -46.37131 729.82996 2930.0000 -47.23152 -45.48745 1.74407 2.15992 -45.50941 820.10264 2935.0000 -47.54095 -44.57315 2.96780 2.19596 -45.23508 920.59018 2940.0000 -47.64482 -45.23253 2.41230 2.21541 -45.08702 935.00152 2945.0000 -48.47392 -45.73192 2.74200 2.18071 -45.35119 834.57207 2950.0000 -48.00061 -45.87175 2.12886 2.13312 -45.71342 856.17367 2955.0000 -47.78660 -45.69676 2.08984 2.13293 -45.71488 837.05197 2960.0000 -48.00987 -46.17760 1.83227 2.11640 -45.84068 773.13639 2965.0000 -48.06396 -45.48949 2.57447 2.08459 -46.08282 808.13409 2970.0000 -47.84459 -46.05606 1.78853 2.09961 -45.96845 788.68159 2975.0000 -47.47577 -46.02616 1.44962 2.02897 -46.50613 703.13849 2980.0000 -48.32052 -45.73149 2.58903 2.11920 -45.81933 828.53490 2985.0000 -49.00334 -46.85678 2.14656 2.04791 -46.36197 770.58115 2990.0000 -47.72803 -45.47974 2.24829 2.12798 -45.75252 846.77050 2995.0000 -48.05951 -45.81719 2.24232 2.13368 -45.70917 846.77721 3000.0000 -48.60544 -46.54372 2.06171 2.10066 -45.96046 759.91354 FREEZING PROCESS: loop number 13 T-loop= 831.00000000000000 main_MD> interactions number 13 at Temperature= 831.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.48964 -0.93314 -0.16883 force_rgl> df(natom) -3.19684 -1.58143 -1.02679 3005.0000 -48.75958 -46.18630 2.57328 2.04694 -46.36940 697.69350 3010.0000 -48.53278 -46.73262 1.80015 2.06875 -46.20341 821.70789 3015.0000 -48.24898 -46.12216 2.12682 2.03444 -46.46456 762.80390 3020.0000 -47.55303 -45.94475 1.60829 2.15388 -45.55538 917.51115 3025.0000 -48.47728 -46.52137 1.95592 2.05696 -46.29311 742.19759 3030.0000 -48.51703 -46.21286 2.30416 1.99895 -46.73463 715.65765 3035.0000 -48.27481 -45.29792 2.97689 2.13565 -45.69416 842.48359 3040.0000 -46.71907 -44.99670 1.72237 2.15426 -45.55253 853.35832 3045.0000 -47.84327 -45.63636 2.20691 2.19504 -45.24212 881.14207 3050.0000 -47.84476 -44.78939 3.05537 2.19433 -45.24752 845.80650 3055.0000 -47.78176 -45.40074 2.38102 2.22106 -45.04401 902.78299 3060.0000 -47.34935 -45.22365 2.12569 2.21971 -45.05428 872.05940 3065.0000 -47.81356 -45.59551 2.21805 2.20461 -45.16922 847.08449 3070.0000 -47.86342 -45.44089 2.42253 2.22585 -45.00755 961.80089 3075.0000 -48.23384 -45.19986 3.03398 2.12761 -45.75537 850.21023 3080.0000 -48.01766 -44.96421 3.05345 2.16062 -45.50407 876.35809 3085.0000 -47.29619 -45.53177 1.76442 2.23718 -44.92131 978.60158 3090.0000 -48.64864 -45.86568 2.78297 2.11146 -45.87826 772.43227 3095.0000 -47.82189 -44.86483 2.95706 2.20259 -45.18463 906.54125 3100.0000 -48.50831 -45.19192 3.31639 2.22768 -44.99367 949.92178 3105.0000 -48.10497 -45.56269 2.54228 2.14525 -45.62107 859.67258 3110.0000 -48.51369 -45.89778 2.61591 2.18849 -45.29192 865.25121 3115.0000 -47.66646 -45.17892 2.48754 2.17487 -45.39562 807.93295 3120.0000 -47.56959 -44.60869 2.96090 2.27195 -44.65671 932.74769 3125.0000 -48.32795 -45.86226 2.46569 2.20495 -45.16667 887.87155 3130.0000 -47.99200 -46.39009 1.60190 2.09863 -45.97597 825.13309 3135.0000 -48.10847 -46.03211 2.07635 2.05197 -46.33107 729.08859 3140.0000 -48.30926 -45.85854 2.45072 2.14900 -45.59253 793.68122 3145.0000 -48.40088 -46.08730 2.31358 2.10849 -45.90085 830.18760 3150.0000 -47.45235 -45.75264 1.69971 2.09703 -45.98808 775.79658 3155.0000 -48.07158 -45.82016 2.25142 2.08286 -46.09600 748.84986 3160.0000 -48.51759 -45.82452 2.69306 2.10319 -45.94122 852.35151 3165.0000 -47.84196 -46.06815 1.77381 2.04362 -46.39463 710.78760 3170.0000 -49.21768 -46.74240 2.47529 2.07204 -46.17837 817.95618 3175.0000 -47.83488 -45.56839 2.26650 2.09043 -46.03834 822.86054 3180.0000 -48.00627 -45.55323 2.45304 2.14029 -45.65885 822.55708 3185.0000 -48.58081 -46.74485 1.83596 2.08869 -46.05158 819.99114 3190.0000 -48.04608 -46.17335 1.87272 2.02988 -46.49920 732.65806 3195.0000 -47.27920 -46.17675 1.10244 2.14855 -45.59597 855.87786 3200.0000 -48.75261 -46.59711 2.15549 2.03344 -46.47217 764.10174 3205.0000 -48.76200 -46.56936 2.19264 2.02319 -46.55018 756.48910 3210.0000 -47.79092 -45.90674 1.88419 2.03409 -46.46716 742.93073 3215.0000 -47.81057 -46.11736 1.69321 2.09310 -46.01805 750.78075 3220.0000 -48.56573 -46.33246 2.23326 2.07639 -46.14518 759.56301 3225.0000 -48.23963 -46.09846 2.14117 2.01984 -46.57568 688.16314 3230.0000 -48.96460 -47.17766 1.78694 2.06265 -46.24983 768.89596 3235.0000 -48.37559 -46.33503 2.04056 2.04449 -46.38803 745.38077 3240.0000 -48.91409 -46.54073 2.37335 2.06885 -46.20262 743.71585 3245.0000 -47.69500 -46.32739 1.36761 2.05911 -46.27673 696.27385 3250.0000 -48.45040 -46.50060 1.94980 2.03052 -46.49440 650.20214 FREEZING PROCESS: loop number 14 T-loop= 806.00000000000000 main_MD> interactions number 14 at Temperature= 806.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.46801 -0.33515 0.93760 force_rgl> df(natom) 5.04318 3.03526 1.41139 3255.0000 -47.75722 -46.21481 1.54241 2.09828 -45.97859 778.30881 3260.0000 -48.28942 -46.30322 1.98621 2.08756 -46.06017 785.98816 3265.0000 -47.93598 -46.07480 1.86118 2.01165 -46.63802 699.78222 3270.0000 -48.24301 -45.39929 2.84372 2.10564 -45.92259 834.64233 3275.0000 -46.81558 -44.58207 2.23351 2.22169 -45.03928 916.58334 3280.0000 -47.38362 -45.12633 2.25729 2.25366 -44.79587 873.79143 3285.0000 -47.28502 -44.18637 3.09866 2.28898 -44.52705 943.11642 3290.0000 -47.56020 -45.68496 1.87524 2.25107 -44.81561 942.73944 3295.0000 -47.31654 -45.45000 1.86653 2.16720 -45.45398 850.70485 3300.0000 -48.20504 -45.64540 2.55964 2.15283 -45.56342 827.32571 3305.0000 -47.23273 -45.02288 2.20985 2.15094 -45.57774 776.44107 3310.0000 -47.61370 -44.61258 3.00112 2.33219 -44.19812 942.46759 3315.0000 -47.33416 -44.95574 2.37842 2.23327 -44.95112 882.96431 3320.0000 -47.86374 -45.63379 2.22995 2.21657 -45.07825 819.80756 3325.0000 -47.78803 -45.55879 2.22925 2.09852 -45.97677 800.85175 3330.0000 -47.92039 -44.99623 2.92416 2.19273 -45.25967 997.26010 3335.0000 -47.70448 -45.49515 2.20933 2.16757 -45.45118 855.27975 3340.0000 -47.60734 -45.14058 2.46676 2.19540 -45.23933 904.08399 3345.0000 -47.63825 -45.38624 2.25202 2.11947 -45.81732 757.93995 3350.0000 -48.07654 -45.74097 2.33558 2.14496 -45.62332 832.19034 3355.0000 -48.15328 -46.55566 1.59762 2.08424 -46.08545 812.04787 3360.0000 -47.53529 -45.56212 1.97317 2.09436 -46.00842 809.43713 3365.0000 -48.58617 -46.63315 1.95302 2.08380 -46.08880 802.12636 3370.0000 -48.36640 -45.98545 2.38095 2.03767 -46.43991 767.36231 3375.0000 -47.71600 -45.39456 2.32144 2.14797 -45.60036 824.71679 3380.0000 -48.51616 -46.61984 1.89632 2.13212 -45.72106 838.90037 3385.0000 -47.99836 -45.98655 2.01181 2.03089 -46.49153 749.08403 3390.0000 -48.30135 -46.06875 2.23260 2.11776 -45.83035 858.75924 3395.0000 -48.31007 -46.53852 1.77154 2.06789 -46.20995 702.57961 3400.0000 -48.51667 -46.44149 2.07518 2.05954 -46.27347 731.28549 3405.0000 -48.73250 -46.31479 2.41771 2.07717 -46.13932 764.21840 3410.0000 -47.95003 -46.14399 1.80603 2.07042 -46.19068 768.36165 3415.0000 -47.77139 -45.49085 2.28054 2.06065 -46.26504 770.50857 3420.0000 -48.58280 -45.93608 2.64672 2.14237 -45.64302 903.22827 3425.0000 -47.22218 -44.95744 2.26474 2.13983 -45.66230 845.04682 3430.0000 -47.76686 -45.30199 2.46487 2.15965 -45.51145 857.82969 3435.0000 -48.61212 -45.64364 2.96848 2.16904 -45.44000 893.77187 3440.0000 -47.82581 -45.61586 2.20994 2.14849 -45.59641 889.63699 3445.0000 -47.81732 -45.96004 1.85728 2.09142 -46.03084 748.83775 3450.0000 -48.03620 -45.70662 2.32958 2.12641 -45.76450 850.72558 3455.0000 -47.64286 -45.18222 2.46064 2.15577 -45.54104 870.36113 3460.0000 -48.79923 -45.93546 2.86378 2.19413 -45.24901 903.77179 3465.0000 -48.05400 -45.59112 2.46288 2.11371 -45.86118 838.98097 3470.0000 -48.74052 -46.51656 2.22396 2.02293 -46.55210 721.74439 3475.0000 -48.80509 -46.44176 2.36333 2.01708 -46.59670 735.96421 3480.0000 -48.61356 -47.09663 1.51693 1.92483 -47.29887 663.77542 3485.0000 -48.82154 -46.74104 2.08051 2.00327 -46.70178 754.31741 3490.0000 -48.20259 -46.28063 1.92196 2.03768 -46.43989 677.17451 3495.0000 -47.63872 -45.48833 2.15039 2.08584 -46.07330 751.59112 3500.0000 -48.60475 -46.33260 2.27215 2.06922 -46.19983 734.76783 FREEZING PROCESS: loop number 15 T-loop= 781.00000000000000 main_MD> interactions number 15 at Temperature= 781.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.45379 0.59603 -0.65565 force_rgl> df(natom) 3.16693 -2.72375 -1.43040 3505.0000 -47.90930 -46.00639 1.90291 2.05491 -46.30871 712.06507 3510.0000 -48.59539 -46.20996 2.38543 2.07214 -46.17755 781.52557 3515.0000 -48.94301 -47.34899 1.59402 2.02414 -46.54293 772.80545 3520.0000 -48.07099 -46.49478 1.57621 1.97600 -46.90935 646.29089 3525.0000 -48.18370 -46.07869 2.10501 2.05982 -46.27138 708.17685 3530.0000 -47.26021 -45.04702 2.21320 2.09439 -46.00817 717.05329 3535.0000 -48.59060 -46.29186 2.29873 2.12597 -45.76780 769.23583 3540.0000 -48.49832 -46.90025 1.59807 2.02660 -46.52417 682.24459 3545.0000 -48.93438 -46.92106 2.01331 2.03132 -46.48827 751.07311 3550.0000 -48.64031 -46.43387 2.20644 1.97996 -46.87924 715.54863 3555.0000 -49.02874 -46.75263 2.27611 1.99206 -46.78713 724.86790 3560.0000 -48.06655 -45.66662 2.39993 2.06935 -46.19881 762.88150 3565.0000 -47.98496 -46.21915 1.76581 2.11651 -45.83986 813.34154 3570.0000 -47.75461 -45.78269 1.97192 2.09734 -45.98577 777.86713 3575.0000 -48.36484 -46.13034 2.23450 2.09420 -46.00968 802.07670 3580.0000 -48.16643 -46.56351 1.60291 2.04728 -46.36683 756.84974 3585.0000 -48.65551 -46.96208 1.69342 2.02172 -46.56138 772.48009 3590.0000 -48.83101 -47.32251 1.50850 1.95153 -47.09560 638.15474 3595.0000 -47.95355 -46.40873 1.54483 1.97730 -46.89946 608.64213 3600.0000 -48.51021 -45.86126 2.64895 2.10780 -45.90616 723.33150 3605.0000 -48.09025 -45.74748 2.34277 2.13786 -45.67734 804.97795 3610.0000 -47.53176 -45.74312 1.78864 2.17796 -45.37212 917.51251 3615.0000 -48.21127 -46.10314 2.10813 2.09442 -46.00798 727.66834 3620.0000 -47.30626 -45.02594 2.28032 2.12272 -45.79254 752.02436 3625.0000 -48.26711 -46.26537 2.00174 2.11797 -45.82874 829.08433 3630.0000 -48.00691 -46.72724 1.27967 2.04982 -46.34745 726.93233 3635.0000 -48.80472 -46.71891 2.08581 2.03395 -46.46824 742.22663 3640.0000 -48.41033 -45.73318 2.67715 2.04938 -46.35080 780.88205 3645.0000 -48.07802 -45.84952 2.22851 2.13925 -45.66676 874.43315 3650.0000 -48.52690 -47.04141 1.48549 2.03039 -46.49535 749.54015 3655.0000 -48.76831 -46.03256 2.73575 2.06298 -46.24731 805.13457 3660.0000 -48.80396 -46.75868 2.04529 2.09028 -46.03952 841.71714 3665.0000 -48.99802 -47.36698 1.63104 1.97341 -46.92905 683.53458 3670.0000 -48.33875 -45.70295 2.63580 1.98493 -46.84142 733.28337 3675.0000 -48.62145 -46.75461 1.86684 2.07462 -46.15871 796.46480 3680.0000 -49.05704 -46.94320 2.11384 1.96855 -46.96606 723.38044 3685.0000 -48.08196 -46.35160 1.73036 2.00065 -46.72174 722.69653 3690.0000 -47.93375 -45.91787 2.01589 2.03910 -46.42910 689.44560 3695.0000 -48.47986 -46.43570 2.04416 1.99209 -46.78687 679.65348 3700.0000 -48.84277 -46.45071 2.39206 2.02381 -46.54543 759.06609 3705.0000 -48.81871 -46.60493 2.21378 1.98627 -46.83118 728.21066 3710.0000 -48.64517 -46.56917 2.07601 2.03870 -46.43208 745.27091 3715.0000 -48.24213 -46.56999 1.67214 2.04135 -46.41190 701.61585 3720.0000 -48.20705 -46.63839 1.56866 2.03564 -46.45543 710.18341 3725.0000 -48.67734 -46.57043 2.10691 2.05356 -46.31901 728.68118 3730.0000 -47.90418 -46.43366 1.47053 2.01410 -46.61931 737.11100 3735.0000 -48.04495 -46.50765 1.53730 2.03981 -46.42363 698.34873 3740.0000 -48.81909 -47.24239 1.57670 1.96436 -46.99797 627.86941 3745.0000 -49.25843 -47.46977 1.78866 1.92082 -47.32939 630.52856 3750.0000 -49.05280 -47.24228 1.81052 1.95537 -47.06635 667.87763 FREEZING PROCESS: loop number 16 T-loop= 756.00000000000000 main_MD> interactions number 16 at Temperature= 756.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.84272 1.85519 -0.94257 force_rgl> df(natom) -0.83294 -2.13318 0.53061 3755.0000 -48.72514 -46.77798 1.94716 1.91855 -47.34661 626.73455 3760.0000 -48.60555 -46.04927 2.55628 1.95776 -47.04816 667.55508 3765.0000 -48.15803 -46.49385 1.66418 2.10889 -45.89780 799.89109 3770.0000 -48.97399 -47.19571 1.77828 1.94892 -47.11547 682.52397 3775.0000 -48.29041 -46.67886 1.61155 1.97453 -46.92053 684.68101 3780.0000 -48.97965 -46.76163 2.21802 1.98344 -46.85272 691.81170 3785.0000 -49.09986 -46.68290 2.41696 2.00951 -46.65428 715.02379 3790.0000 -48.19139 -45.76447 2.42693 2.03234 -46.48051 682.19261 3795.0000 -48.74066 -46.57338 2.16728 2.10250 -45.94645 847.26734 3800.0000 -48.78306 -47.54356 1.23950 2.00530 -46.68632 690.52847 3805.0000 -49.26170 -47.18392 2.07778 1.90737 -47.43174 606.21413 3810.0000 -49.04963 -47.45510 1.59453 1.94874 -47.11682 674.88287 3815.0000 -49.09465 -46.74698 2.34767 1.91039 -47.40876 603.52342 3820.0000 -48.42685 -46.37356 2.05330 2.01781 -46.59109 752.57491 3825.0000 -48.68644 -46.63578 2.05066 2.03221 -46.48151 665.35692 3830.0000 -48.15494 -46.02714 2.12780 2.01304 -46.62739 684.92545 3835.0000 -48.63053 -46.81806 1.81247 2.05904 -46.27731 790.66517 3840.0000 -48.89702 -47.27558 1.62145 1.98863 -46.81319 643.59565 3845.0000 -49.20698 -47.26904 1.93794 1.91463 -47.37651 658.27365 3850.0000 -49.16651 -47.25939 1.90712 1.94900 -47.11488 678.47793 3855.0000 -49.10152 -46.89522 2.20630 1.96710 -46.97708 684.02345 3860.0000 -48.23268 -46.89992 1.33276 1.93618 -47.21248 628.29679 3865.0000 -47.43235 -45.64777 1.78458 2.06539 -46.22895 720.70171 3870.0000 -47.93749 -46.08135 1.85614 2.10615 -45.91870 777.56281 3875.0000 -47.08394 -44.08914 2.99481 2.23086 -44.96947 946.00226 3880.0000 -47.02454 -44.65159 2.37295 2.31240 -44.34881 953.77466 3885.0000 -47.52714 -45.00920 2.51794 2.19237 -45.26239 888.86406 3890.0000 -47.30133 -45.48760 1.81373 2.17592 -45.38762 830.67557 3895.0000 -47.81795 -45.97233 1.84562 2.12024 -45.81144 794.38449 3900.0000 -48.37044 -46.23200 2.13844 2.00326 -46.70188 701.64959 3905.0000 -48.35181 -46.21716 2.13465 2.07152 -46.18225 819.42185 3910.0000 -47.96379 -45.37925 2.58453 2.16038 -45.50595 785.80906 3915.0000 -47.92283 -45.64121 2.28162 2.18393 -45.32665 857.92610 3920.0000 -47.43143 -45.63183 1.79959 2.13979 -45.66260 808.10883 3925.0000 -48.58193 -45.85518 2.72675 2.15706 -45.53117 867.94354 3930.0000 -48.87437 -46.05123 2.82314 2.03091 -46.49137 752.43341 3935.0000 -48.08774 -46.34561 1.74213 2.14484 -45.62417 818.37218 3940.0000 -47.86659 -45.73567 2.13093 2.09499 -46.00363 807.13313 3945.0000 -48.38688 -46.43043 1.95645 2.09637 -45.99315 808.75393 3950.0000 -47.91555 -45.94465 1.97090 2.03446 -46.46441 763.24788 3955.0000 -48.49320 -46.50448 1.98873 2.04613 -46.37551 773.36084 3960.0000 -48.65777 -46.22754 2.43023 2.10025 -45.96359 813.81590 3965.0000 -48.40871 -46.91265 1.49607 1.99575 -46.75904 709.80475 3970.0000 -47.54391 -45.55098 1.99293 2.03940 -46.42679 772.17799 3975.0000 -48.63600 -46.52409 2.11192 2.06538 -46.22905 814.39949 3980.0000 -48.97816 -46.34746 2.63069 2.06221 -46.25319 810.76731 3985.0000 -48.97277 -46.99535 1.97742 2.00100 -46.71905 765.00681 3990.0000 -48.38244 -45.83075 2.55169 2.02864 -46.50867 789.04283 3995.0000 -48.63337 -47.14054 1.49282 2.04683 -46.37022 796.79560 4000.0000 -49.14836 -46.39917 2.74919 1.97045 -46.95162 719.38595 FREEZING PROCESS: loop number 17 T-loop= 731.00000000000000 main_MD> interactions number 17 at Temperature= 731.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.51671 -2.01038 -0.63375 force_rgl> df(natom) 0.75753 -0.31509 -0.69085 4005.0000 -49.05651 -46.76204 2.29447 1.96938 -46.95977 702.67386 4010.0000 -48.42740 -46.41519 2.01220 1.99915 -46.73317 721.70892 4015.0000 -48.82491 -46.58436 2.24055 2.04957 -46.34934 804.70099 4020.0000 -47.69751 -45.81582 1.88169 2.03327 -46.47343 715.57870 4025.0000 -48.38466 -46.16942 2.21524 2.11239 -45.87120 793.97920 4030.0000 -48.45123 -46.85562 1.59561 2.04569 -46.37892 791.58832 4035.0000 -49.09056 -46.86039 2.23017 1.94681 -47.13153 629.93682 4040.0000 -48.05889 -46.31499 1.74390 2.03127 -46.48869 745.34792 4045.0000 -48.54292 -46.63894 1.90398 2.03483 -46.46158 743.74375 4050.0000 -48.50705 -46.36306 2.14398 2.07120 -46.18475 744.04123 4055.0000 -47.64352 -45.70045 1.94307 2.09322 -46.01710 799.67832 4060.0000 -47.76038 -45.63042 2.12997 2.11837 -45.82569 762.40658 4065.0000 -48.69829 -46.68021 2.01808 2.03754 -46.44094 811.78564 4070.0000 -48.96376 -46.94176 2.02200 2.03051 -46.49446 744.01612 4075.0000 -49.11431 -47.66712 1.44719 1.93279 -47.23822 654.39610 4080.0000 -49.61367 -48.60876 1.00491 1.84964 -47.87114 557.67626 4085.0000 -49.43277 -47.65087 1.78190 1.84420 -47.91259 536.05386 4090.0000 -49.43336 -47.55898 1.87438 1.89857 -47.49869 592.83022 4095.0000 -49.29768 -47.87209 1.42559 1.85179 -47.85484 560.81469 4100.0000 -48.58731 -46.63738 1.94992 1.95768 -47.04883 642.25438 4105.0000 -48.13240 -46.34557 1.78683 2.04558 -46.37975 724.54043 4110.0000 -48.29558 -46.01845 2.27713 2.07032 -46.19141 732.38834 4115.0000 -48.38197 -46.01001 2.37196 2.11718 -45.83472 843.81758 4120.0000 -47.28991 -45.44914 1.84077 2.14458 -45.62621 823.70758 4125.0000 -47.73339 -45.60227 2.13112 2.15346 -45.55859 837.87633 4130.0000 -47.56426 -45.41594 2.14832 2.21982 -45.05347 939.51486 4135.0000 -48.56105 -46.58610 1.97495 2.08165 -46.10522 748.94312 4140.0000 -47.89812 -46.06488 1.83325 2.06728 -46.21454 755.03056 4145.0000 -48.94324 -46.79906 2.14418 2.06345 -46.24373 780.78233 4150.0000 -49.01959 -47.31817 1.70142 1.93834 -47.19602 651.47339 4155.0000 -48.94708 -47.24209 1.70499 1.91194 -47.39695 655.74327 4160.0000 -48.71945 -47.20450 1.51495 1.90928 -47.41723 659.04754 4165.0000 -48.69572 -47.29114 1.40458 1.97153 -46.94339 675.04753 4170.0000 -48.97240 -46.89204 2.08036 1.93319 -47.23522 629.36395 4175.0000 -48.36224 -46.09823 2.26400 2.05674 -46.29478 800.85131 4180.0000 -47.20701 -45.58976 1.61725 2.11847 -45.82496 797.57308 4185.0000 -47.87026 -45.59907 2.27119 2.14316 -45.63702 801.25361 4190.0000 -48.11427 -46.30807 1.80621 2.13683 -45.68516 850.36092 4195.0000 -47.96266 -45.29932 2.66334 2.08733 -46.06195 774.70147 4200.0000 -48.03038 -45.71552 2.31485 2.12699 -45.76009 785.11618 4205.0000 -48.66777 -46.63196 2.03581 2.05785 -46.28635 719.53076 4210.0000 -48.45245 -46.60299 1.84946 1.96438 -46.99779 675.90457 4215.0000 -48.69624 -46.43778 2.25846 2.02293 -46.55213 712.23467 4220.0000 -48.70532 -47.07991 1.62541 2.01550 -46.60872 742.75476 4225.0000 -49.68823 -47.64872 2.03951 1.93608 -47.21325 636.17214 4230.0000 -49.33754 -47.93600 1.40154 1.88745 -47.58338 621.61501 4235.0000 -49.11918 -47.54302 1.57616 1.84851 -47.87976 539.08621 4240.0000 -48.53416 -46.58818 1.94598 1.95143 -47.09635 646.98787 4245.0000 -49.06679 -46.94459 2.12220 2.00070 -46.72133 726.46234 4250.0000 -48.03097 -46.14325 1.88773 2.01843 -46.58640 726.98346 FREEZING PROCESS: loop number 18 T-loop= 706.00000000000000 main_MD> interactions number 18 at Temperature= 706.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.25961 5.38696 -1.65026 force_rgl> df(natom) -0.68441 -4.39176 -3.38371 4255.0000 -49.09018 -46.50469 2.58549 2.05980 -46.27150 762.59667 4260.0000 -47.65615 -46.00807 1.64808 2.09052 -46.03767 819.92806 4265.0000 -48.56508 -46.65657 1.90851 2.07442 -46.16025 725.91136 4270.0000 -47.95614 -46.00358 1.95256 2.02483 -46.53771 737.05421 4275.0000 -47.49858 -45.60726 1.89131 2.11431 -45.85658 763.72703 4280.0000 -48.74312 -46.45587 2.28725 2.04623 -46.37477 760.67842 4285.0000 -48.27371 -46.25490 2.01881 2.02098 -46.56699 707.09502 4290.0000 -49.11355 -46.53501 2.57854 1.99824 -46.74005 708.21454 4295.0000 -49.08973 -46.97763 2.11211 2.01470 -46.61479 757.15279 4300.0000 -48.86438 -46.71273 2.15165 2.01431 -46.61773 719.79455 4305.0000 -48.84603 -47.07709 1.76894 1.97042 -46.95180 603.21676 4310.0000 -48.86057 -47.19759 1.66298 1.96553 -46.98905 628.87061 4315.0000 -49.01274 -46.68221 2.33053 2.00331 -46.70147 742.54348 4320.0000 -48.76255 -47.43348 1.32907 1.97387 -46.92555 672.78451 4325.0000 -48.70156 -46.79931 1.90225 1.99047 -46.79923 701.25574 4330.0000 -48.72130 -46.39076 2.33054 2.04173 -46.40904 768.28235 4335.0000 -49.13448 -47.37205 1.76243 2.02313 -46.55064 748.84384 4340.0000 -48.95095 -47.41216 1.53879 1.92833 -47.27217 646.06002 4345.0000 -48.73968 -46.95517 1.78451 1.90081 -47.48171 623.19952 4350.0000 -48.53436 -46.67153 1.86283 2.01449 -46.61640 697.17598 4355.0000 -48.67264 -46.45891 2.21374 2.05733 -46.29028 785.85907 4360.0000 -49.38824 -46.96121 2.42703 1.98114 -46.87024 697.45215 4365.0000 -49.07370 -47.83318 1.24052 1.91320 -47.38740 610.50050 4370.0000 -48.96287 -47.45082 1.51205 1.89158 -47.55194 552.14126 4375.0000 -48.83261 -47.13821 1.69440 1.87616 -47.66930 563.10599 4380.0000 -48.44702 -46.86915 1.57787 1.96393 -47.00119 684.85532 4385.0000 -49.29290 -47.99723 1.29568 1.93638 -47.21089 664.02882 4390.0000 -49.42454 -46.82835 2.59619 1.92410 -47.30441 630.59181 4395.0000 -49.16420 -47.21718 1.94702 1.96898 -46.96279 655.38445 4400.0000 -48.96486 -46.48179 2.48308 1.99672 -46.75165 664.48040 4405.0000 -49.07933 -47.15663 1.92270 1.98213 -46.86270 696.91705 4410.0000 -48.66931 -47.35901 1.31030 1.95419 -47.07540 649.90376 4415.0000 -48.53894 -46.69052 1.84842 2.03642 -46.44943 732.43668 4420.0000 -49.50158 -46.84812 2.65347 2.00229 -46.70926 695.67344 4425.0000 -48.92015 -46.79493 2.12522 1.98178 -46.86537 665.43215 4430.0000 -47.92594 -45.97221 1.95373 2.06055 -46.26581 751.97516 4435.0000 -48.05020 -45.18059 2.86961 2.14946 -45.58902 802.99879 4440.0000 -48.18222 -45.32695 2.85527 2.16372 -45.48052 870.56659 4445.0000 -47.25715 -45.27386 1.98329 2.21421 -45.09617 950.06336 4450.0000 -48.00068 -45.73348 2.26719 2.09880 -45.97461 803.15025 4455.0000 -48.25849 -45.50739 2.75110 2.12069 -45.80799 825.15596 4460.0000 -48.17476 -46.65488 1.51988 2.06390 -46.24031 806.52289 4465.0000 -48.75032 -47.03428 1.71604 1.97253 -46.93577 711.75217 4470.0000 -48.66812 -46.80856 1.85956 1.99860 -46.73735 686.86175 4475.0000 -48.95364 -46.96249 1.99115 1.94543 -47.14206 663.17210 4480.0000 -48.80247 -47.34909 1.45338 1.93971 -47.18555 654.94656 4485.0000 -48.89094 -46.79953 2.09141 1.95104 -47.09930 656.73008 4490.0000 -48.60097 -46.89034 1.71063 2.00589 -46.68181 712.53870 4495.0000 -48.89524 -46.94337 1.95187 1.96922 -46.96099 698.47157 4500.0000 -48.93575 -46.66174 2.27401 1.96307 -47.00775 693.38508 FREEZING PROCESS: loop number 19 T-loop= 681.00000000000000 main_MD> interactions number 19 at Temperature= 681.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.67204 -0.20832 -0.38284 force_rgl> df(natom) 4.49361 1.28961 -1.60089 4505.0000 -49.15857 -47.43891 1.71967 1.96375 -47.00257 653.04634 4510.0000 -48.19896 -46.59604 1.60292 1.95656 -47.05732 649.82623 4515.0000 -48.45361 -46.53855 1.91506 1.97481 -46.91841 635.24792 4520.0000 -48.67528 -46.74454 1.93074 2.02672 -46.52328 791.38538 4525.0000 -48.80392 -47.15952 1.64440 1.97560 -46.91242 686.49994 4530.0000 -48.79420 -47.23723 1.55697 1.90583 -47.44343 609.78571 4535.0000 -49.13532 -47.72553 1.40979 1.88566 -47.59699 599.82976 4540.0000 -49.04637 -47.43988 1.60649 1.90435 -47.45474 597.00961 4545.0000 -48.71316 -46.89197 1.82120 1.92675 -47.28426 632.26484 4550.0000 -48.48758 -46.78477 1.70282 1.99279 -46.78158 697.15103 4555.0000 -48.93366 -47.34572 1.58793 1.93108 -47.25127 635.52549 4560.0000 -48.50907 -46.58238 1.92669 1.94792 -47.12309 625.16316 4565.0000 -48.69065 -46.30533 2.38532 2.03950 -46.42600 746.90820 4570.0000 -48.68573 -46.04688 2.63885 2.09181 -46.02783 815.07961 4575.0000 -48.05526 -46.14004 1.91522 2.08412 -46.08636 764.57907 4580.0000 -48.31362 -46.43189 1.88172 2.06534 -46.22931 746.41723 4585.0000 -48.23392 -46.48210 1.75182 2.03954 -46.42570 747.49412 4590.0000 -49.10778 -47.16474 1.94305 1.99697 -46.74977 759.23085 4595.0000 -49.16113 -47.29696 1.86416 1.95410 -47.07606 648.35255 4600.0000 -49.29561 -47.43317 1.86244 1.92831 -47.27235 662.42909 4605.0000 -49.41017 -47.45537 1.95480 1.93984 -47.18461 655.90213 4610.0000 -49.25408 -46.66991 2.58417 1.94730 -47.12784 673.01961 4615.0000 -48.67239 -46.78552 1.88687 1.96828 -46.96808 668.61283 4620.0000 -49.43490 -47.34823 2.08667 1.98999 -46.80288 672.64119 4625.0000 -49.26908 -47.50665 1.76243 1.90699 -47.43467 600.53054 4630.0000 -48.58410 -47.14110 1.44300 1.90667 -47.43708 593.01222 4635.0000 -49.32639 -47.74676 1.57962 1.93031 -47.25714 613.44627 4640.0000 -48.89638 -47.28874 1.60763 1.89686 -47.51171 611.52095 4645.0000 -49.02400 -47.27401 1.74999 1.92715 -47.28117 649.83507 4650.0000 -49.24308 -47.58005 1.66303 1.90555 -47.44559 573.91352 4655.0000 -48.61213 -46.48453 2.12760 1.95270 -47.08671 647.12643 4660.0000 -48.87572 -46.99386 1.88186 2.01357 -46.62339 720.83872 4665.0000 -48.66995 -46.77523 1.89472 2.00706 -46.67291 742.92291 4670.0000 -48.65070 -46.63018 2.02051 2.02510 -46.53562 767.84761 4675.0000 -49.09040 -47.11182 1.97858 1.98965 -46.80546 708.71112 4680.0000 -48.90716 -46.90132 2.00585 1.96423 -46.99898 649.68485 4685.0000 -48.23776 -46.03824 2.19952 2.02147 -46.56325 706.06811 4690.0000 -47.89622 -46.08315 1.81306 2.08313 -46.09389 842.90942 4695.0000 -48.25430 -46.13881 2.11549 2.10232 -45.94782 774.05349 4700.0000 -48.83035 -46.68270 2.14765 2.06727 -46.21463 708.06744 4705.0000 -48.64464 -46.70219 1.94245 1.97770 -46.89645 628.10883 4710.0000 -48.43520 -46.89173 1.54347 1.96326 -47.00633 662.18257 4715.0000 -49.22410 -47.61669 1.60740 1.89066 -47.55896 588.30263 4720.0000 -48.78087 -47.73157 1.04929 1.86949 -47.72007 550.85332 4725.0000 -48.36079 -46.64442 1.71637 1.90587 -47.44313 592.36289 4730.0000 -48.52487 -46.73804 1.78683 2.02061 -46.56980 745.55905 4735.0000 -49.10593 -47.39150 1.71443 1.97945 -46.88311 659.84502 4740.0000 -49.12044 -47.59172 1.52872 1.90983 -47.41302 637.21792 4745.0000 -49.44915 -47.34299 2.10616 1.92944 -47.26378 637.08537 4750.0000 -49.25814 -47.56813 1.69001 1.87305 -47.69295 584.37566 FREEZING PROCESS: loop number 20 T-loop= 656.00000000000000 main_MD> interactions number 20 at Temperature= 656.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.64270 2.32766 -3.76110 force_rgl> df(natom) 0.19813 2.55887 -1.37335 4755.0000 -48.97534 -47.34103 1.63431 1.88972 -47.56612 593.42592 4760.0000 -48.94176 -46.79780 2.14396 1.93379 -47.23065 639.95788 4765.0000 -48.96598 -47.55339 1.41259 1.92216 -47.31918 605.25330 4770.0000 -48.75543 -46.47382 2.28160 1.97973 -46.88100 658.25813 4775.0000 -48.42638 -46.88378 1.54260 1.99375 -46.77428 684.59629 4780.0000 -49.04918 -47.30210 1.74709 1.94621 -47.13609 652.10610 4785.0000 -49.34699 -47.22218 2.12480 1.88160 -47.62790 561.11385 4790.0000 -49.20840 -47.12683 2.08157 1.97789 -46.89494 654.15790 4795.0000 -48.71216 -46.58551 2.12665 1.96941 -46.95952 684.99493 4800.0000 -48.09365 -45.93049 2.16316 2.04894 -46.35416 702.68274 4805.0000 -48.48467 -46.39129 2.09339 2.05742 -46.28960 732.47471 4810.0000 -48.54062 -46.53713 2.00349 2.01741 -46.59417 710.79387 4815.0000 -48.83839 -46.99854 1.83985 1.94554 -47.14122 673.44621 4820.0000 -48.57350 -46.56468 2.00883 1.96909 -46.96193 655.66016 4825.0000 -49.23855 -47.20200 2.03655 1.92878 -47.26879 585.43753 4830.0000 -49.05709 -46.30777 2.74932 1.97975 -46.88078 689.98366 4835.0000 -48.24462 -46.77739 1.46723 2.02351 -46.54771 765.27671 4840.0000 -49.93679 -47.96500 1.97179 1.89122 -47.55466 605.07019 4845.0000 -49.65063 -47.99927 1.65136 1.83331 -47.99546 536.75769 4850.0000 -49.17627 -47.35781 1.81846 1.85485 -47.83150 564.07317 4855.0000 -48.64824 -47.28502 1.36322 1.95555 -47.06499 670.70646 4860.0000 -48.89150 -47.24639 1.64511 1.97071 -46.94958 670.92258 4865.0000 -48.95115 -46.86837 2.08278 1.95989 -47.03196 654.60532 4870.0000 -48.82302 -46.83907 1.98395 1.97921 -46.88493 631.59701 4875.0000 -48.04240 -46.18571 1.85670 2.01192 -46.63595 754.95856 4880.0000 -48.97913 -47.21989 1.75924 2.02015 -46.57331 752.34200 4885.0000 -48.34978 -46.92918 1.42061 2.02024 -46.57261 718.82899 4890.0000 -48.04771 -46.58710 1.46061 1.96921 -46.96102 676.23364 4895.0000 -48.80599 -46.95938 1.84661 2.02584 -46.53001 728.00246 4900.0000 -49.31016 -47.40760 1.90256 1.94742 -47.12693 673.98902 4905.0000 -49.18948 -47.70947 1.48001 1.91018 -47.41036 633.45817 4910.0000 -49.61975 -48.32243 1.29732 1.81980 -48.09831 501.55175 4915.0000 -49.53939 -47.43520 2.10418 1.85680 -47.81666 549.46270 4920.0000 -49.16936 -47.09394 2.07542 1.94309 -47.15982 695.03651 4925.0000 -48.72594 -47.09275 1.63319 1.96694 -46.97833 706.39121 4930.0000 -48.41238 -46.85893 1.55344 1.98526 -46.83887 716.52147 4935.0000 -48.58934 -46.88317 1.70617 1.97974 -46.88088 625.03528 4940.0000 -48.96453 -47.08388 1.88065 1.92640 -47.28689 590.71921 4945.0000 -48.87840 -46.33848 2.53992 2.01934 -46.57943 778.90568 4950.0000 -49.57066 -47.99360 1.57706 1.90676 -47.43639 593.71885 4955.0000 -49.25630 -47.72866 1.52764 1.87738 -47.65998 596.37083 4960.0000 -48.56810 -47.05460 1.51350 1.91495 -47.37408 596.78729 4965.0000 -49.07571 -47.38065 1.69506 1.95395 -47.07716 681.33433 4970.0000 -49.11989 -47.18798 1.93191 1.91204 -47.39622 618.71023 4975.0000 -49.32545 -47.44837 1.87708 1.93238 -47.24141 664.15981 4980.0000 -48.56413 -46.53031 2.03382 1.96907 -46.96211 695.54813 4985.0000 -48.36007 -47.14420 1.21587 1.97178 -46.94148 674.72456 4990.0000 -48.82313 -46.65087 2.17226 1.99130 -46.79290 713.22307 4995.0000 -48.30205 -46.13511 2.16695 2.02478 -46.53804 747.32468 5000.0000 -48.55778 -46.69928 1.85850 2.08028 -46.11558 842.26129 FREEZING PROCESS: loop number 21 T-loop= 631.00000000000000 main_MD> interactions number 21 at Temperature= 631.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.28600 1.90783 -6.99683 force_rgl> df(natom) 1.94840 1.93417 1.49740 5005.0000 -48.93958 -46.94129 1.99829 1.97088 -46.94835 703.71698 5010.0000 -49.21174 -47.20769 2.00405 1.97158 -46.94298 684.20033 5015.0000 -49.12684 -47.53948 1.58736 1.91944 -47.33984 617.43647 5020.0000 -49.35659 -47.76358 1.59301 1.88609 -47.59370 538.12094 5025.0000 -49.30895 -47.33688 1.97206 1.92989 -47.26036 602.28002 5030.0000 -48.55496 -47.23329 1.32166 1.93326 -47.23465 631.55790 5035.0000 -48.75939 -46.74491 2.01448 1.95250 -47.08826 648.71387 5040.0000 -48.96709 -47.08050 1.88659 1.95565 -47.06422 621.49684 5045.0000 -49.22740 -47.03218 2.19522 1.94803 -47.12225 656.80891 5050.0000 -49.25710 -47.48366 1.77344 1.88427 -47.60756 599.61041 5055.0000 -49.26641 -47.03188 2.23454 1.90792 -47.42754 625.87135 5060.0000 -48.91777 -47.46022 1.45756 1.91618 -47.36469 622.22000 5065.0000 -49.15236 -47.43393 1.71843 1.90985 -47.41290 543.86188 5070.0000 -49.81903 -48.26590 1.55313 1.84670 -47.89356 513.11827 5075.0000 -49.51635 -47.78166 1.73469 1.83490 -47.98339 529.25256 5080.0000 -49.55885 -47.65677 1.90209 1.86724 -47.73723 577.37279 5085.0000 -48.85922 -47.55551 1.30372 1.90432 -47.45500 620.85251 5090.0000 -49.21724 -47.28196 1.93528 1.91065 -47.40676 606.52934 5095.0000 -49.19992 -47.50442 1.69550 1.88040 -47.63699 561.41189 5100.0000 -48.97814 -47.65556 1.32258 1.96132 -47.02110 660.77579 5105.0000 -49.16933 -47.78045 1.38888 1.85081 -47.86227 504.70372 5110.0000 -49.19782 -47.22917 1.96865 1.92067 -47.33050 623.85018 5115.0000 -49.05251 -47.47340 1.57910 1.91731 -47.35606 634.75528 5120.0000 -48.95661 -47.12493 1.83168 1.89941 -47.49232 616.89911 5125.0000 -48.51689 -47.01776 1.49912 1.96958 -46.95823 655.20829 5130.0000 -48.40011 -46.48803 1.91208 1.99407 -46.77182 699.44304 5135.0000 -48.66290 -46.86759 1.79530 2.01306 -46.62723 719.47879 5140.0000 -49.31015 -47.29410 2.01604 1.92466 -47.30015 652.90902 5145.0000 -49.16448 -47.65661 1.50787 1.93282 -47.23801 614.56924 5150.0000 -48.59505 -46.73478 1.86027 1.91138 -47.40125 583.62121 5155.0000 -48.71638 -46.60352 2.11286 1.99604 -46.75680 720.17924 5160.0000 -49.03235 -46.89724 2.13511 2.03555 -46.45610 650.58173 5165.0000 -48.84890 -47.02485 1.82406 1.96053 -47.02713 668.89080 5170.0000 -49.47040 -47.59360 1.87680 1.92163 -47.32317 612.33507 5175.0000 -48.56877 -47.27372 1.29506 1.92096 -47.32833 626.16889 5180.0000 -48.78148 -47.61298 1.16850 1.90783 -47.42822 597.38045 5185.0000 -49.76719 -47.88937 1.87782 1.90891 -47.42000 644.64585 5190.0000 -48.65253 -46.88386 1.76867 1.92188 -47.32127 625.16835 5195.0000 -48.52534 -46.81970 1.70564 1.96542 -46.98988 599.66827 5200.0000 -49.17894 -47.56097 1.61796 1.91086 -47.40521 585.87337 5205.0000 -49.28523 -47.77466 1.51057 1.89300 -47.54112 544.56118 5210.0000 -49.41052 -47.63328 1.77724 1.88690 -47.58753 573.54882 5215.0000 -49.10124 -47.55118 1.55006 1.89537 -47.52307 605.70025 5220.0000 -49.35648 -47.92452 1.43196 1.86410 -47.76111 553.32371 5225.0000 -49.44401 -48.13121 1.31280 1.83285 -47.99899 506.84772 5230.0000 -49.49859 -47.89442 1.60417 1.85152 -47.85682 546.54547 5235.0000 -49.03785 -47.76578 1.27207 1.83452 -47.98622 520.25625 5240.0000 -49.15861 -47.79541 1.36320 1.86109 -47.78403 547.67978 5245.0000 -49.42277 -47.57584 1.84694 1.89161 -47.55167 607.23885 5250.0000 -49.06558 -47.69819 1.36739 1.85122 -47.85911 552.45758 FREEZING PROCESS: loop number 22 T-loop= 606.00000000000000 main_MD> interactions number 22 at Temperature= 606.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 5.60529 -5.93101 -2.92184 force_rgl> df(natom) -0.93763 0.22506 0.72546 5255.0000 -48.49240 -46.96698 1.52542 1.92914 -47.26605 667.87447 5260.0000 -49.13936 -47.31631 1.82305 1.93903 -47.19078 626.40151 5265.0000 -48.30743 -46.90232 1.40511 2.00109 -46.71837 724.57461 5270.0000 -49.41726 -47.58719 1.83007 1.88897 -47.57182 572.76536 5275.0000 -48.89446 -47.79113 1.10332 1.89026 -47.56199 591.58828 5280.0000 -49.35963 -47.43180 1.92783 1.84749 -47.88752 541.71741 5285.0000 -49.55773 -47.59314 1.96459 1.89702 -47.51052 631.61777 5290.0000 -49.50784 -48.41673 1.09111 1.83703 -47.96717 539.32126 5295.0000 -49.61075 -47.70831 1.90244 1.81444 -48.13913 517.08320 5300.0000 -49.26278 -47.62914 1.63364 1.85418 -47.83659 529.71706 5305.0000 -48.43276 -47.09181 1.34095 1.91047 -47.40816 631.44319 5310.0000 -49.04393 -47.32605 1.71788 1.93682 -47.20758 618.24138 5315.0000 -49.68112 -48.00255 1.67857 1.88014 -47.63901 576.01857 5320.0000 -48.80019 -47.15757 1.64262 1.84525 -47.90455 554.35839 5325.0000 -49.00956 -47.27015 1.73941 1.91325 -47.38700 635.24395 5330.0000 -48.87830 -47.46377 1.41453 1.92031 -47.33322 642.74657 5335.0000 -48.79384 -47.34139 1.45245 1.96629 -46.98329 732.05731 5340.0000 -49.15154 -47.40898 1.74256 1.89656 -47.51401 597.00638 5345.0000 -48.84862 -47.33651 1.51211 1.92720 -47.28083 628.49833 5350.0000 -48.36000 -47.27854 1.08146 1.91345 -47.38547 615.57161 5355.0000 -49.02376 -47.59084 1.43292 1.89433 -47.53097 586.01722 5360.0000 -49.40797 -47.88640 1.52157 1.86916 -47.72255 530.98043 5365.0000 -49.35296 -47.82568 1.52728 1.87266 -47.69598 565.00657 5370.0000 -49.41083 -47.97043 1.44040 1.81041 -48.16980 503.48717 5375.0000 -48.76590 -47.19474 1.57116 1.88429 -47.60745 599.20698 5380.0000 -48.90074 -47.49175 1.40898 1.88942 -47.56835 574.48190 5385.0000 -49.17628 -47.70478 1.47150 1.89005 -47.56357 591.71369 5390.0000 -49.35044 -47.77560 1.57484 1.88160 -47.62791 557.04686 5395.0000 -49.30738 -47.43516 1.87223 1.90744 -47.43120 609.07737 5400.0000 -49.08535 -47.58050 1.50485 1.87862 -47.65057 573.06238 5405.0000 -49.88184 -48.39985 1.48199 1.86211 -47.77627 557.01970 5410.0000 -48.93371 -47.74555 1.18816 1.84970 -47.87074 542.74892 5415.0000 -48.87554 -46.83853 2.03701 1.94711 -47.12922 694.84929 5420.0000 -48.89461 -46.78157 2.11304 2.00934 -46.65562 769.51694 5425.0000 -49.65740 -48.37783 1.27957 1.89678 -47.51236 591.54530 5430.0000 -49.85319 -48.03019 1.82300 1.81891 -48.10504 510.26589 5435.0000 -49.43473 -47.83102 1.60370 1.82670 -48.04578 551.03875 5440.0000 -48.90380 -47.53575 1.36805 1.85062 -47.86368 559.76672 5445.0000 -48.86430 -46.85075 2.01355 1.91050 -47.40791 603.18655 5450.0000 -48.05649 -46.84403 1.21246 2.00347 -46.70028 671.31413 5455.0000 -48.26061 -46.64201 1.61860 1.99528 -46.76258 657.61526 5460.0000 -48.79444 -47.38808 1.40636 1.96743 -46.97456 639.91120 5465.0000 -49.06840 -47.52899 1.53941 1.92543 -47.29427 622.07036 5470.0000 -48.96110 -47.10928 1.85182 1.90519 -47.44832 592.86942 5475.0000 -49.00852 -47.33355 1.67497 1.96158 -47.01913 671.99172 5480.0000 -49.16746 -47.03553 2.13193 1.93620 -47.21231 672.05620 5485.0000 -48.87806 -47.66526 1.21281 1.88423 -47.60785 580.69163 5490.0000 -48.93229 -47.15993 1.77237 1.86371 -47.76405 535.78473 5495.0000 -49.01962 -47.34131 1.67831 1.90959 -47.41488 633.33367 5500.0000 -48.82577 -46.79856 2.02721 1.94336 -47.15783 665.43842 FREEZING PROCESS: loop number 23 T-loop= 581.00000000000000 main_MD> interactions number 23 at Temperature= 581.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.89052 -1.18797 1.97643 force_rgl> df(natom) 0.79446 0.61607 -0.38725 5505.0000 -48.85264 -47.23669 1.61595 1.92870 -47.26936 641.31027 5510.0000 -49.18119 -47.73453 1.44665 1.90563 -47.44496 590.39086 5515.0000 -49.22808 -47.53782 1.69026 1.91108 -47.40349 596.31090 5520.0000 -49.77806 -48.40620 1.37186 1.82644 -48.04779 529.23836 5525.0000 -49.18287 -47.67353 1.50934 1.85851 -47.80366 540.20991 5530.0000 -49.17561 -47.66722 1.50839 1.85455 -47.83377 561.60832 5535.0000 -49.16267 -47.27109 1.89158 1.88675 -47.58871 606.57354 5540.0000 -49.17914 -47.12683 2.05231 1.95192 -47.09266 691.37601 5545.0000 -49.14394 -47.75064 1.39330 1.87072 -47.71071 541.80060 5550.0000 -49.57046 -48.21258 1.35788 1.82575 -48.05300 513.06080 5555.0000 -49.60594 -48.31711 1.28882 1.80352 -48.22224 497.89568 5560.0000 -49.54863 -47.80818 1.74045 1.81815 -48.11088 510.58836 5565.0000 -49.60731 -48.19850 1.40881 1.86111 -47.78382 559.92800 5570.0000 -49.63568 -47.86608 1.76960 1.84578 -47.90052 525.57154 5575.0000 -49.58122 -47.99923 1.58198 1.83840 -47.95673 538.99960 5580.0000 -49.46391 -47.51483 1.94908 1.89186 -47.54978 599.75554 5585.0000 -49.59438 -47.73300 1.86138 1.89049 -47.56023 601.66542 5590.0000 -49.04430 -47.52652 1.51778 1.88081 -47.63393 603.15027 5595.0000 -49.32286 -47.61219 1.71067 1.88877 -47.57332 619.48120 5600.0000 -48.84110 -47.31455 1.52655 1.91044 -47.40839 631.40252 5605.0000 -49.34703 -47.60107 1.74595 1.89948 -47.49179 592.90578 5610.0000 -48.64478 -46.80629 1.83849 1.93496 -47.22176 661.40358 5615.0000 -49.16718 -47.35871 1.80848 1.92730 -47.28005 649.33609 5620.0000 -48.24019 -47.03340 1.20679 1.93278 -47.23831 612.00013 5625.0000 -48.89993 -47.36517 1.53476 1.97352 -46.92826 659.26621 5630.0000 -49.18195 -47.44223 1.73972 1.88782 -47.58052 616.70420 5635.0000 -49.01637 -47.65679 1.35958 1.91100 -47.40408 529.37565 5640.0000 -49.74729 -47.82971 1.91758 1.90080 -47.48173 554.96067 5645.0000 -48.56446 -47.15199 1.41248 1.89714 -47.50961 592.63280 5650.0000 -49.38095 -47.66812 1.71283 1.90762 -47.42983 623.12275 5655.0000 -49.08389 -47.43163 1.65227 1.95623 -47.05986 724.10857 5660.0000 -48.65301 -47.67907 0.97394 1.89024 -47.56214 622.39595 5665.0000 -48.51106 -46.26970 2.24136 1.93775 -47.20053 631.63493 5670.0000 -48.84629 -47.30380 1.54249 2.00952 -46.65421 731.44774 5675.0000 -49.36442 -47.59104 1.77337 1.88676 -47.58861 567.44614 5680.0000 -49.06659 -47.02163 2.04496 1.90631 -47.43979 618.67826 5685.0000 -49.14131 -47.00677 2.13454 1.95983 -47.03246 699.93268 5690.0000 -49.16631 -47.59243 1.57388 1.95000 -47.10730 661.18191 5695.0000 -49.05008 -47.28006 1.77001 1.92328 -47.31061 660.39243 5700.0000 -49.20918 -47.82257 1.38661 1.86801 -47.73132 578.87834 5705.0000 -49.11216 -47.46100 1.65116 1.83213 -48.00442 542.64557 5710.0000 -48.61118 -46.83664 1.77454 1.96648 -46.98179 662.27351 5715.0000 -48.35423 -46.49955 1.85468 2.04834 -46.35874 701.32619 5720.0000 -48.94129 -47.41142 1.52987 1.98576 -46.83508 661.27139 5725.0000 -48.94547 -47.53581 1.40966 1.90048 -47.48417 570.92920 5730.0000 -49.26480 -47.60457 1.66023 1.92119 -47.32653 595.67673 5735.0000 -49.69447 -48.06478 1.62969 1.82548 -48.05509 506.45975 5740.0000 -49.43577 -47.69721 1.73856 1.84088 -47.93780 533.58743 5745.0000 -49.26557 -48.02141 1.24416 1.81410 -48.14165 508.28684 5750.0000 -49.65226 -48.74597 0.90629 1.78673 -48.35004 446.60033 FREEZING PROCESS: loop number 24 T-loop= 556.00000000000000 main_MD> interactions number 24 at Temperature= 556.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.21274 -0.63777 -1.84434 force_rgl> df(natom) -0.22104 0.50676 0.05154 5755.0000 -49.55879 -47.92403 1.63476 1.78622 -48.35393 466.12145 5760.0000 -49.49712 -48.47989 1.01723 1.80102 -48.24125 485.02699 5765.0000 -49.54724 -48.10982 1.43742 1.80340 -48.22314 486.13655 5770.0000 -49.03821 -47.07130 1.96691 1.86123 -47.78294 550.05161 5775.0000 -49.15168 -47.34772 1.80395 1.96836 -46.96754 665.16956 5780.0000 -49.19462 -47.45240 1.74222 1.91388 -47.38216 566.18952 5785.0000 -49.53700 -47.88654 1.65046 1.91963 -47.33845 631.74072 5790.0000 -49.06973 -47.51430 1.55543 1.90049 -47.48414 594.16284 5795.0000 -48.96650 -47.46483 1.50167 1.89495 -47.52624 605.26235 5800.0000 -49.13756 -47.88693 1.25063 1.88986 -47.56500 594.77994 5805.0000 -49.58359 -48.11278 1.47081 1.82642 -48.04788 468.24482 5810.0000 -49.46443 -47.57018 1.89425 1.83711 -47.96657 523.39735 5815.0000 -49.52372 -48.00542 1.51829 1.87856 -47.65100 585.28839 5820.0000 -49.07454 -47.64340 1.43114 1.86158 -47.78027 603.36925 5825.0000 -49.40192 -48.15768 1.24424 1.83031 -48.01826 501.03354 5830.0000 -49.13317 -47.59970 1.53347 1.85108 -47.86020 550.14071 5835.0000 -49.14129 -47.34977 1.79152 1.89110 -47.55557 576.63812 5840.0000 -49.12407 -47.85788 1.26619 1.87614 -47.66947 552.90190 5845.0000 -49.52463 -47.83087 1.69376 1.84945 -47.87259 560.50860 5850.0000 -49.27510 -47.51291 1.76219 1.86699 -47.73907 570.49861 5855.0000 -48.71662 -47.53875 1.17786 1.88929 -47.56935 594.05382 5860.0000 -49.44892 -47.93287 1.51605 1.86024 -47.79049 561.62560 5865.0000 -49.62882 -48.34197 1.28684 1.80332 -48.22377 494.50912 5870.0000 -49.54640 -48.00973 1.53666 1.83173 -48.00750 531.70864 5875.0000 -48.71177 -47.28616 1.42560 1.88807 -47.57867 590.16238 5880.0000 -49.46516 -47.74912 1.71603 1.89207 -47.54817 579.49860 5885.0000 -48.89601 -47.79942 1.09659 1.85879 -47.80151 546.84360 5890.0000 -48.98276 -47.40426 1.57850 1.89052 -47.55998 598.91099 5895.0000 -49.03375 -46.97078 2.06297 1.91781 -47.35225 623.59023 5900.0000 -48.74513 -47.56249 1.18264 1.94640 -47.13464 657.72575 5905.0000 -48.90693 -47.26739 1.63954 1.91519 -47.37223 615.07761 5910.0000 -49.27385 -47.73911 1.53473 1.91563 -47.36891 611.93180 5915.0000 -49.22789 -47.85290 1.37499 1.84380 -47.91559 533.21054 5920.0000 -49.10977 -47.53240 1.57737 1.84499 -47.90657 554.05573 5925.0000 -49.38232 -47.94435 1.43797 1.84758 -47.88685 547.92706 5930.0000 -49.20158 -47.96419 1.23739 1.79812 -48.26334 488.18433 5935.0000 -49.16715 -47.71445 1.45270 1.86330 -47.76719 586.83715 5940.0000 -49.47396 -47.43645 2.03751 1.85776 -47.80938 584.84651 5945.0000 -49.44173 -48.25456 1.18717 1.86572 -47.74878 538.55629 5950.0000 -49.25495 -47.88103 1.37392 1.84782 -47.88502 542.16119 5955.0000 -49.79658 -48.39862 1.39796 1.77236 -48.45939 457.75014 5960.0000 -49.77550 -48.01159 1.76391 1.83278 -47.99952 561.23077 5965.0000 -49.58122 -48.25629 1.32493 1.77195 -48.46250 473.64340 5970.0000 -48.80176 -47.29130 1.51046 1.86976 -47.71803 601.45237 5975.0000 -49.71378 -47.85425 1.85954 1.87919 -47.64623 583.35126 5980.0000 -49.35427 -47.75429 1.59999 1.82978 -48.02231 515.70673 5985.0000 -49.18779 -48.01551 1.17228 1.84248 -47.92566 533.61834 5990.0000 -49.18163 -47.79906 1.38257 1.85813 -47.80655 522.71280 5995.0000 -48.95908 -47.39300 1.56608 1.89031 -47.56163 603.54645 6000.0000 -49.22905 -48.00136 1.22769 1.87001 -47.71611 575.08568 FREEZING PROCESS: loop number 25 T-loop= 531.00000000000000 main_MD> interactions number 25 at Temperature= 531.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.53687 -1.21357 1.15333 force_rgl> df(natom) -0.36445 0.03741 -0.52428 6005.0000 -49.10421 -47.78128 1.32293 1.81642 -48.12405 526.16714 6010.0000 -49.81021 -48.71091 1.09931 1.78401 -48.37075 460.63358 6015.0000 -49.35393 -48.12382 1.23010 1.77735 -48.42143 435.80164 6020.0000 -49.46681 -48.07990 1.38691 1.80991 -48.17360 489.79771 6025.0000 -50.18886 -48.65929 1.52957 1.76577 -48.50953 450.22162 6030.0000 -49.40273 -47.64446 1.75827 1.83521 -47.98102 550.80696 6035.0000 -49.04996 -47.53199 1.51798 1.91404 -47.38098 614.48459 6040.0000 -49.43139 -47.56112 1.87027 1.87674 -47.66489 576.27928 6045.0000 -49.76135 -48.48930 1.27205 1.81415 -48.14130 517.89728 6050.0000 -49.65489 -47.83947 1.81542 1.80550 -48.20715 504.60766 6055.0000 -49.29215 -47.81227 1.47988 1.86304 -47.76920 549.10624 6060.0000 -49.43727 -47.83713 1.60014 1.88093 -47.63301 556.92898 6065.0000 -49.28031 -47.62425 1.65607 1.86499 -47.75435 544.67677 6070.0000 -48.87705 -47.22743 1.64962 1.91315 -47.38772 642.66350 6075.0000 -49.19732 -47.70122 1.49610 1.92413 -47.30416 634.67782 6080.0000 -48.98500 -47.75003 1.23496 1.85780 -47.80907 558.85505 6085.0000 -48.96905 -47.64736 1.32169 1.92278 -47.31443 639.43662 6090.0000 -49.54124 -48.22592 1.31532 1.83415 -47.98909 535.42425 6095.0000 -49.62001 -48.13016 1.48984 1.81763 -48.11483 513.69974 6100.0000 -49.52471 -48.21660 1.30811 1.80712 -48.19479 483.37538 6105.0000 -49.24386 -47.86639 1.37747 1.87273 -47.69538 569.30617 6110.0000 -49.20200 -47.87933 1.32267 1.85426 -47.83597 525.47721 6115.0000 -49.32102 -47.95666 1.36436 1.84086 -47.93799 531.91464 6120.0000 -49.22700 -47.61558 1.61142 1.83769 -47.96216 535.37294 6125.0000 -49.45214 -48.34781 1.10433 1.83033 -48.01817 511.97282 6130.0000 -49.72414 -48.13754 1.58660 1.82760 -48.03892 530.56628 6135.0000 -49.47225 -47.93682 1.53542 1.85767 -47.81007 585.17227 6140.0000 -49.59525 -47.84744 1.74781 1.83377 -47.99197 527.25115 6145.0000 -49.39410 -47.88890 1.50520 1.85518 -47.82902 548.57460 6150.0000 -49.04870 -47.48621 1.56249 1.83482 -47.98396 541.61255 6155.0000 -49.26316 -47.93496 1.32820 1.89275 -47.54305 611.72594 6160.0000 -49.19535 -48.19778 0.99757 1.80996 -48.17317 514.76628 6165.0000 -49.55923 -48.15819 1.40104 1.79158 -48.31313 469.74648 6170.0000 -49.72461 -48.53948 1.18513 1.82152 -48.08524 519.90944 6175.0000 -49.62049 -47.89223 1.72826 1.80488 -48.21186 495.68092 6180.0000 -49.42048 -47.80384 1.61664 1.86197 -47.77729 575.09399 6185.0000 -49.06389 -47.71734 1.34655 1.84868 -47.87849 532.34931 6190.0000 -49.58959 -48.08432 1.50526 1.84245 -47.92587 535.05375 6195.0000 -49.26028 -47.80001 1.46028 1.80423 -48.21683 493.23164 6200.0000 -49.57064 -48.27991 1.29073 1.86022 -47.79062 559.46609 6205.0000 -49.26147 -47.85138 1.41009 1.82126 -48.08719 471.78522 6210.0000 -49.22091 -47.56410 1.65681 1.88581 -47.59587 523.55842 6215.0000 -49.23193 -47.77904 1.45289 1.86746 -47.73553 493.39091 6220.0000 -49.17233 -47.85267 1.31966 1.86527 -47.75218 495.04923 6225.0000 -49.33823 -48.09874 1.23950 1.83303 -47.99761 516.04560 6230.0000 -49.79618 -48.24216 1.55402 1.84595 -47.89925 534.37765 6235.0000 -49.00262 -46.94961 2.05301 1.90263 -47.46780 610.98317 6240.0000 -48.28589 -46.47510 1.81079 2.01440 -46.61708 696.84579 6245.0000 -49.24972 -47.90618 1.34354 1.86075 -47.78661 496.92955 6250.0000 -49.31619 -47.52492 1.79127 1.88766 -47.58175 548.00104 FREEZING PROCESS: loop number 26 T-loop= 506.00000000000000 main_MD> interactions number 26 at Temperature= 506.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.18705 1.48455 -0.79945 force_rgl> df(natom) -0.00830 0.21376 0.96265 6255.0000 -49.89490 -48.56090 1.33400 1.78659 -48.35107 454.48151 6260.0000 -50.01639 -48.76528 1.25111 1.73525 -48.74189 393.34299 6265.0000 -49.60284 -48.51598 1.08686 1.74219 -48.68904 423.60824 6270.0000 -49.38475 -48.40299 0.98176 1.76501 -48.51534 410.44321 6275.0000 -49.42653 -47.94292 1.48360 1.80686 -48.19681 489.62790 6280.0000 -49.68702 -48.17281 1.51421 1.83120 -48.01152 531.91572 6285.0000 -49.32984 -48.34344 0.98640 1.82884 -48.02948 517.39935 6290.0000 -49.84175 -48.50616 1.33559 1.76473 -48.51750 453.15804 6295.0000 -49.38031 -47.67121 1.70910 1.83174 -48.00742 538.64731 6300.0000 -49.63592 -48.07097 1.56495 1.83544 -47.97927 528.24125 6305.0000 -49.34349 -48.05208 1.29140 1.82059 -48.09230 526.98880 6310.0000 -49.76803 -48.64186 1.12616 1.75736 -48.57357 435.84763 6315.0000 -49.36737 -48.22063 1.14674 1.77555 -48.43510 443.96425 6320.0000 -49.63170 -48.41973 1.21196 1.77569 -48.43405 464.46358 6325.0000 -49.75851 -48.25530 1.50321 1.72970 -48.78409 389.24192 6330.0000 -49.65232 -48.52563 1.12669 1.79206 -48.30943 468.15588 6335.0000 -49.78272 -48.20647 1.57625 1.78755 -48.34380 479.54219 6340.0000 -49.73543 -48.75782 0.97760 1.79290 -48.30307 507.41293 6345.0000 -49.42268 -48.44620 0.97647 1.76646 -48.50427 454.43433 6350.0000 -50.00704 -48.69167 1.31537 1.75036 -48.62684 434.69744 6355.0000 -49.69374 -48.20590 1.48784 1.76059 -48.54898 437.14698 6360.0000 -49.60357 -48.10467 1.49891 1.81247 -48.15408 477.16339 6365.0000 -49.72687 -48.12312 1.60375 1.80276 -48.22804 474.30808 6370.0000 -49.77006 -48.38719 1.38287 1.78790 -48.34108 460.17688 6375.0000 -49.17688 -47.60839 1.56848 1.79819 -48.26275 499.24030 6380.0000 -49.43579 -47.58854 1.84725 1.84780 -47.88518 496.64170 6385.0000 -48.99619 -47.23271 1.76348 1.91247 -47.39290 546.90291 6390.0000 -49.34236 -48.17253 1.16983 1.86820 -47.72985 529.05657 6395.0000 -49.50481 -47.77793 1.72688 1.82973 -48.02269 504.63740 6400.0000 -49.71499 -48.42322 1.29177 1.76536 -48.51268 443.11968 6405.0000 -48.78360 -47.12857 1.65503 1.86532 -47.75183 571.84153 6410.0000 -49.40857 -48.02891 1.37966 1.90199 -47.47268 585.50413 6415.0000 -49.81839 -48.87577 0.94262 1.76432 -48.52059 446.14349 6420.0000 -49.54452 -48.56975 0.97478 1.74813 -48.64385 416.76776 6425.0000 -49.65073 -48.43903 1.21170 1.74098 -48.69826 411.15134 6430.0000 -49.60376 -48.07391 1.52985 1.79292 -48.30291 477.89381 6435.0000 -49.55253 -48.08317 1.46936 1.80527 -48.20893 481.95270 6440.0000 -49.21386 -47.82746 1.38640 1.81533 -48.13231 493.98987 6445.0000 -49.72696 -48.49459 1.23237 1.79388 -48.29558 482.53710 6450.0000 -49.60996 -48.19132 1.41864 1.78809 -48.33967 462.74428 6455.0000 -49.71369 -48.48955 1.22414 1.80849 -48.18439 516.62846 6460.0000 -49.15058 -47.82081 1.32978 1.81144 -48.16193 468.08148 6465.0000 -49.55072 -48.27940 1.27133 1.84002 -47.94442 514.55825 6470.0000 -49.76113 -48.80218 0.95895 1.76390 -48.52377 442.66544 6475.0000 -49.32374 -48.04912 1.27462 1.78444 -48.36746 464.08654 6480.0000 -49.28262 -47.81533 1.46729 1.85952 -47.79594 539.99632 6485.0000 -49.02048 -47.47135 1.54913 1.84637 -47.89602 502.70548 6490.0000 -49.09454 -47.73065 1.36388 1.89994 -47.48828 625.94175 6495.0000 -48.90797 -47.47192 1.43605 1.86768 -47.73383 576.22211 6500.0000 -49.66995 -48.51541 1.15455 1.87105 -47.70823 591.63690 FREEZING PROCESS: loop number 27 T-loop= 481.00000000000000 main_MD> interactions number 27 at Temperature= 481.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -3.35252 -0.24608 -1.42992 force_rgl> df(natom) 1.12742 1.42080 -1.48675 6505.0000 -49.68835 -48.51309 1.17526 1.81151 -48.16138 487.71988 6510.0000 -50.03837 -48.74135 1.29702 1.74576 -48.66188 410.37799 6515.0000 -49.76634 -48.48378 1.28256 1.76451 -48.51913 446.45040 6520.0000 -49.66677 -48.25078 1.41600 1.77223 -48.46038 455.29600 6525.0000 -49.21369 -47.89431 1.31938 1.82201 -48.08149 513.81000 6530.0000 -49.08995 -47.43860 1.65134 1.88074 -47.63442 567.74463 6535.0000 -49.19801 -47.64682 1.55119 1.89676 -47.51251 605.52001 6540.0000 -50.08116 -48.62060 1.46055 1.78707 -48.34746 467.87001 6545.0000 -49.68606 -48.36819 1.31787 1.76982 -48.47871 451.77281 6550.0000 -49.72209 -48.73629 0.98580 1.77399 -48.44700 445.76267 6555.0000 -49.33825 -48.05574 1.28252 1.77948 -48.40518 459.97186 6560.0000 -49.65348 -48.05753 1.59595 1.80237 -48.23096 470.44719 6565.0000 -49.77555 -48.49414 1.28141 1.82184 -48.08273 513.79232 6570.0000 -49.79400 -48.43802 1.35598 1.80977 -48.17462 516.59551 6575.0000 -49.47753 -48.32220 1.15533 1.79998 -48.24916 495.70163 6580.0000 -49.75894 -48.26221 1.49673 1.80568 -48.20581 518.56675 6585.0000 -49.75086 -48.64019 1.11067 1.78197 -48.38627 448.82690 6590.0000 -49.98619 -48.51770 1.46849 1.74211 -48.68964 410.34059 6595.0000 -49.73639 -48.44352 1.29287 1.79219 -48.30847 483.09496 6600.0000 -49.41063 -48.14268 1.26795 1.82725 -48.04158 522.98446 6605.0000 -49.32791 -47.76361 1.56430 1.85576 -47.82456 553.38675 6610.0000 -49.37630 -47.79626 1.58004 1.82074 -48.09113 517.41936 6615.0000 -49.47761 -48.08094 1.39667 1.82290 -48.07473 511.06482 6620.0000 -49.60030 -48.06962 1.53068 1.83037 -48.01786 526.86461 6625.0000 -49.68065 -48.13738 1.54327 1.80255 -48.22963 487.45788 6630.0000 -49.97553 -48.68341 1.29213 1.78534 -48.36059 469.45144 6635.0000 -49.73034 -48.30194 1.42840 1.79311 -48.30146 471.16495 6640.0000 -49.86122 -48.30373 1.55749 1.78495 -48.36358 472.18550 6645.0000 -49.68613 -48.39611 1.29001 1.79015 -48.32399 482.67169 6650.0000 -48.99423 -47.82573 1.16850 1.83238 -48.00256 522.60141 6655.0000 -49.67348 -48.55404 1.11944 1.77207 -48.46157 444.05525 6660.0000 -49.10641 -48.02055 1.08586 1.79491 -48.28774 472.58702 6665.0000 -49.70160 -48.46515 1.23645 1.76618 -48.50643 435.50375 6670.0000 -49.22422 -47.99585 1.22837 1.80429 -48.21635 480.66357 6675.0000 -49.25189 -47.82185 1.43004 1.85134 -47.85820 532.72448 6680.0000 -49.08036 -47.38970 1.69066 1.88146 -47.62899 589.29265 6685.0000 -49.19446 -48.11822 1.07624 1.85343 -47.84233 546.74582 6690.0000 -49.93669 -48.68858 1.24811 1.76652 -48.50383 444.66551 6695.0000 -49.66457 -48.46086 1.20371 1.76584 -48.50903 442.13605 6700.0000 -49.89148 -48.75079 1.14069 1.72010 -48.85714 380.44938 6705.0000 -49.71058 -48.72970 0.98087 1.73207 -48.76607 399.22104 6710.0000 -49.32305 -48.32636 0.99669 1.82019 -48.09534 494.50177 6715.0000 -49.66969 -48.33837 1.33133 1.77859 -48.41194 471.28711 6720.0000 -49.55008 -48.37008 1.18000 1.77339 -48.45156 464.91178 6725.0000 -49.91453 -48.48928 1.42525 1.79228 -48.30779 473.86490 6730.0000 -49.90125 -48.42321 1.47804 1.74901 -48.63714 423.74110 6735.0000 -49.61530 -48.15211 1.46319 1.79152 -48.31357 486.70867 6740.0000 -49.31629 -48.03190 1.28439 1.83148 -48.00941 544.57536 6745.0000 -49.86163 -48.70962 1.15201 1.79016 -48.32388 474.51097 6750.0000 -49.59830 -48.47419 1.12411 1.75542 -48.58832 420.45734 FREEZING PROCESS: loop number 28 T-loop= 456.00000000000000 main_MD> interactions number 28 at Temperature= 456.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.05842 -1.70337 -1.17619 force_rgl> df(natom) 0.86542 -1.65238 0.05962 6755.0000 -49.24575 -47.82123 1.42452 1.85416 -47.83677 507.45369 6760.0000 -49.16179 -47.79962 1.36217 1.85505 -47.82997 526.67710 6765.0000 -49.78541 -47.93363 1.85178 1.84220 -47.92782 535.18289 6770.0000 -49.51425 -48.04652 1.46772 1.81964 -48.09955 506.37788 6775.0000 -49.53078 -48.01983 1.51096 1.78651 -48.35171 478.31261 6780.0000 -49.84699 -48.40450 1.44249 1.80535 -48.20825 497.27055 6785.0000 -49.31704 -48.36071 0.95633 1.81232 -48.15525 491.17149 6790.0000 -49.55850 -48.16846 1.39004 1.81201 -48.15762 503.67032 6795.0000 -49.67636 -48.50510 1.17125 1.76021 -48.55185 422.63493 6800.0000 -49.80696 -48.85580 0.95116 1.72298 -48.83529 379.02582 6805.0000 -49.42812 -47.76372 1.66440 1.80618 -48.20198 491.75610 6810.0000 -49.27216 -48.04771 1.22445 1.86355 -47.76529 544.36106 6815.0000 -49.77326 -48.41546 1.35779 1.82457 -48.06201 496.49386 6820.0000 -49.85388 -48.41029 1.44359 1.81028 -48.17079 497.63672 6825.0000 -49.67223 -48.34979 1.32244 1.77060 -48.47282 455.74558 6830.0000 -49.67592 -48.55167 1.12426 1.77944 -48.40547 456.74351 6835.0000 -49.48223 -47.78638 1.69584 1.79576 -48.28126 479.83636 6840.0000 -49.96664 -48.15101 1.81564 1.84058 -47.94012 523.03569 6845.0000 -49.99252 -48.83760 1.15492 1.73277 -48.76072 411.18420 6850.0000 -49.64079 -48.72440 0.91639 1.71702 -48.88059 370.86448 6855.0000 -49.65567 -48.77582 0.87985 1.73665 -48.73123 413.41072 6860.0000 -49.88927 -48.52538 1.36389 1.73478 -48.74545 409.72326 6865.0000 -49.67015 -48.36324 1.30691 1.75905 -48.56073 418.91068 6870.0000 -49.78866 -48.86400 0.92467 1.75136 -48.61923 409.76560 6875.0000 -49.27077 -48.13797 1.13281 1.72965 -48.78450 382.65475 6880.0000 -49.25530 -48.15516 1.10014 1.82487 -48.05973 507.52253 6885.0000 -49.25075 -48.15678 1.09397 1.79702 -48.27166 474.35282 6890.0000 -49.85249 -48.39061 1.46189 1.79815 -48.26309 486.11707 6895.0000 -50.04146 -48.88600 1.15546 1.76053 -48.54946 438.78702 6900.0000 -49.80071 -48.65115 1.14956 1.74704 -48.65215 417.07864 6905.0000 -49.91414 -48.70427 1.20988 1.77624 -48.42985 457.61728 6910.0000 -49.68705 -48.64157 1.04548 1.72618 -48.81087 390.21760 6915.0000 -49.58493 -48.65452 0.93041 1.74000 -48.70570 405.65484 6920.0000 -50.00597 -49.09650 0.90947 1.72746 -48.80112 387.26745 6925.0000 -49.51324 -48.62915 0.88410 1.72328 -48.83300 396.22856 6930.0000 -49.47020 -48.19609 1.27410 1.75421 -48.59757 436.07490 6935.0000 -49.88763 -48.17607 1.71156 1.77621 -48.43007 472.73053 6940.0000 -49.91626 -48.95879 0.95747 1.75794 -48.56917 421.70494 6945.0000 -49.56788 -48.27201 1.29587 1.71152 -48.92251 369.38333 6950.0000 -49.13345 -48.01063 1.12282 1.81070 -48.16758 482.50084 6955.0000 -49.15829 -48.10591 1.05238 1.83988 -47.94544 515.31570 6960.0000 -49.91976 -48.43034 1.48942 1.79659 -48.27499 461.20958 6965.0000 -49.90640 -48.97289 0.93351 1.76244 -48.53488 426.05621 6970.0000 -49.87259 -48.70526 1.16732 1.73811 -48.72010 405.68434 6975.0000 -49.75887 -48.77406 0.98481 1.76940 -48.48190 458.47243 6980.0000 -49.31055 -47.71559 1.59496 1.80969 -48.17527 498.43441 6985.0000 -49.27431 -47.20166 2.07265 1.85223 -47.85146 492.13314 6990.0000 -49.77817 -47.99660 1.78157 1.89132 -47.55389 575.72680 6995.0000 -49.27817 -48.07236 1.20582 1.81449 -48.13870 483.17384 7000.0000 -49.75752 -48.29996 1.45756 1.78603 -48.35535 454.62138 FREEZING PROCESS: loop number 29 T-loop= 431.00000000000000 main_MD> interactions number 29 at Temperature= 431.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.06924 -1.68161 -4.40809 force_rgl> df(natom) -2.34725 -0.48279 -0.48975 7005.0000 -49.51414 -48.65740 0.85675 1.75763 -48.57153 439.03187 7010.0000 -50.30928 -49.19563 1.11365 1.72662 -48.80752 391.59219 7015.0000 -49.64439 -48.50137 1.14301 1.76046 -48.54994 437.19036 7020.0000 -49.97929 -48.90165 1.07764 1.72660 -48.80769 393.00925 7025.0000 -49.80670 -48.87248 0.93422 1.73400 -48.75136 395.92164 7030.0000 -49.67756 -48.25560 1.42196 1.74329 -48.68068 404.71065 7035.0000 -49.17911 -48.15685 1.02226 1.80019 -48.24758 478.83590 7040.0000 -49.65312 -48.50602 1.14710 1.79010 -48.32437 461.09830 7045.0000 -49.88855 -48.30155 1.58700 1.78014 -48.40020 433.34199 7050.0000 -49.36950 -48.41235 0.95715 1.79795 -48.26463 503.40015 7055.0000 -49.95246 -48.68117 1.27129 1.77334 -48.45193 457.32473 7060.0000 -49.84951 -48.76990 1.07962 1.73371 -48.75362 415.37973 7065.0000 -49.71752 -48.81176 0.90576 1.71368 -48.90608 374.51594 7070.0000 -49.74668 -48.58421 1.16246 1.74948 -48.63355 407.73529 7075.0000 -49.76027 -48.71540 1.04486 1.74681 -48.65386 420.45630 7080.0000 -49.95345 -48.78704 1.16641 1.73431 -48.74901 388.09141 7085.0000 -49.65826 -48.56726 1.09100 1.74052 -48.70173 424.44432 7090.0000 -49.75183 -48.49787 1.25396 1.80606 -48.20284 482.30518 7095.0000 -49.92379 -49.00001 0.92377 1.70823 -48.94751 365.80895 7100.0000 -49.54200 -48.57137 0.97063 1.73060 -48.77723 421.84676 7105.0000 -50.07562 -48.97691 1.09870 1.71739 -48.87780 390.23559 7110.0000 -49.78948 -48.82794 0.96153 1.68513 -49.12339 333.28438 7115.0000 -49.85902 -48.58529 1.27374 1.75283 -48.60806 416.87472 7120.0000 -49.85316 -48.55331 1.29984 1.76086 -48.54694 438.38593 7125.0000 -49.46824 -48.36266 1.10558 1.77014 -48.47629 436.49657 7130.0000 -49.81514 -48.73844 1.07670 1.79011 -48.32431 484.63300 7135.0000 -49.60556 -48.57559 1.02998 1.73792 -48.72151 403.27989 7140.0000 -49.85298 -48.19232 1.66067 1.78905 -48.33232 487.87389 7145.0000 -49.74653 -48.37758 1.36896 1.81277 -48.15183 493.14961 7150.0000 -49.47739 -48.41109 1.06630 1.79255 -48.30574 455.32016 7155.0000 -49.26417 -48.23195 1.03222 1.79737 -48.26902 478.33118 7160.0000 -49.71974 -48.30707 1.41267 1.76718 -48.49881 452.20031 7165.0000 -49.44845 -48.29541 1.15304 1.79572 -48.28158 480.10215 7170.0000 -49.48410 -48.34412 1.13998 1.78862 -48.33560 488.00491 7175.0000 -49.90748 -48.52148 1.38599 1.78209 -48.38537 470.94011 7180.0000 -49.54056 -48.32401 1.21655 1.78104 -48.39331 466.43528 7185.0000 -49.66909 -48.33785 1.33124 1.79420 -48.29318 468.92458 7190.0000 -49.93012 -48.68265 1.24747 1.72911 -48.78858 385.31949 7195.0000 -49.14751 -48.04454 1.10297 1.80285 -48.22728 488.42711 7200.0000 -49.61763 -48.34363 1.27399 1.80597 -48.20357 485.31574 7205.0000 -49.68715 -48.58349 1.10366 1.73758 -48.72416 390.32764 7210.0000 -49.52765 -48.38885 1.13880 1.74230 -48.68820 440.84545 7215.0000 -49.82659 -48.83506 0.99153 1.75184 -48.61555 454.43927 7220.0000 -49.84994 -48.14131 1.70863 1.75522 -48.58988 451.71863 7225.0000 -49.56129 -48.14982 1.41147 1.81447 -48.13884 514.95664 7230.0000 -49.53881 -48.43033 1.10848 1.79427 -48.29264 472.66875 7235.0000 -49.95730 -48.82083 1.13647 1.75205 -48.61399 427.66894 7240.0000 -49.50858 -48.46274 1.04584 1.74449 -48.67154 430.46264 7245.0000 -49.72650 -48.50647 1.22003 1.81136 -48.16251 512.53324 7250.0000 -49.91005 -48.70661 1.20343 1.75724 -48.57449 448.44173 FREEZING PROCESS: loop number 30 T-loop= 406.00000000000000 main_MD> interactions number 30 at Temperature= 406.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.28191 0.96447 2.27957 force_rgl> df(natom) -1.72365 -0.75473 0.98996 7255.0000 -49.54645 -48.42223 1.12421 1.72655 -48.80810 409.26284 7260.0000 -49.90079 -48.96141 0.93938 1.75081 -48.62342 426.06275 7265.0000 -49.79013 -48.72540 1.06473 1.71710 -48.88001 389.15779 7270.0000 -49.86860 -48.77064 1.09796 1.72203 -48.84248 413.02577 7275.0000 -49.69055 -48.38790 1.30265 1.75340 -48.60374 444.15741 7280.0000 -49.89238 -48.24926 1.64312 1.81348 -48.14641 514.91256 7285.0000 -49.91286 -48.78369 1.12918 1.75600 -48.58395 438.50680 7290.0000 -49.31893 -48.37597 0.94296 1.74307 -48.68234 419.80929 7295.0000 -49.96885 -48.76086 1.20799 1.72490 -48.82068 364.29790 7300.0000 -49.92894 -48.75084 1.17811 1.73544 -48.74038 400.52499 7305.0000 -49.89768 -48.65567 1.24200 1.72703 -48.80442 378.57488 7310.0000 -49.97402 -48.89049 1.08354 1.74072 -48.70020 418.34259 7315.0000 -49.80736 -48.68742 1.11993 1.71500 -48.89602 377.15777 7320.0000 -49.80452 -48.48465 1.31987 1.75359 -48.60226 416.08539 7325.0000 -49.88635 -48.70846 1.17790 1.75115 -48.62083 418.59149 7330.0000 -49.91719 -48.94870 0.96849 1.72503 -48.81965 379.62347 7335.0000 -49.88713 -48.78224 1.10489 1.74586 -48.66110 413.50707 7340.0000 -49.85073 -49.06092 0.78981 1.70322 -48.98565 353.00083 7345.0000 -49.91471 -48.75509 1.15962 1.73361 -48.75432 407.05107 7350.0000 -49.48608 -48.42431 1.06177 1.74513 -48.66667 406.69456 7355.0000 -49.88994 -48.90054 0.98940 1.75188 -48.61525 437.13079 7360.0000 -49.71500 -48.38497 1.33003 1.73861 -48.71631 409.62391 7365.0000 -49.84360 -48.72787 1.11573 1.75252 -48.61040 432.51181 7370.0000 -50.03826 -48.46456 1.57370 1.76535 -48.51278 432.26918 7375.0000 -50.20546 -49.09345 1.11202 1.72671 -48.80690 388.19856 7380.0000 -49.62726 -48.62155 1.00571 1.74479 -48.66922 425.85980 7385.0000 -49.63000 -48.62455 1.00545 1.75785 -48.56986 434.73504 7390.0000 -50.05067 -48.99360 1.05706 1.71953 -48.86154 373.13194 7395.0000 -49.82196 -48.86301 0.95895 1.71168 -48.92126 372.85409 7400.0000 -49.84127 -48.85814 0.98313 1.70505 -48.97171 374.70344 7405.0000 -49.77435 -48.76760 1.00675 1.73068 -48.77663 394.80867 7410.0000 -49.99447 -48.74014 1.25434 1.72212 -48.84177 397.70426 7415.0000 -50.11600 -49.02085 1.09514 1.72608 -48.81168 394.83938 7420.0000 -49.92125 -48.63453 1.28672 1.72565 -48.81496 387.63981 7425.0000 -49.76902 -48.75112 1.01789 1.74281 -48.68432 410.22089 7430.0000 -49.82493 -48.75979 1.06514 1.73695 -48.72890 399.19261 7435.0000 -49.97147 -48.63763 1.33384 1.75793 -48.56920 420.44855 7440.0000 -49.90684 -48.62080 1.28604 1.75436 -48.59639 408.16588 7445.0000 -49.78484 -49.00295 0.78189 1.72767 -48.79955 380.48711 7450.0000 -49.94214 -48.91649 1.02565 1.69958 -49.01339 348.98143 7455.0000 -49.61645 -48.74532 0.87113 1.71277 -48.91298 368.39468 7460.0000 -49.71496 -48.76612 0.94884 1.74872 -48.63933 420.14964 7465.0000 -50.04269 -48.56669 1.47600 1.72823 -48.79531 398.44278 7470.0000 -49.79289 -48.76354 1.02935 1.75953 -48.55706 453.72046 7475.0000 -49.72293 -48.36849 1.35443 1.77467 -48.44180 456.77680 7480.0000 -49.83045 -48.77518 1.05528 1.74904 -48.63689 434.61745 7485.0000 -49.91345 -48.70583 1.20762 1.72780 -48.79856 399.38439 7490.0000 -49.87953 -48.69056 1.18897 1.74531 -48.66528 403.36802 7495.0000 -50.15027 -49.22166 0.92862 1.70814 -48.94822 363.60489 7500.0000 -49.97634 -48.65067 1.32567 1.71526 -48.89404 369.55845 FREEZING PROCESS: loop number 31 T-loop= 381.00000000000000 main_MD> interactions number 31 at Temperature= 381.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.16902 -0.07515 0.45797 force_rgl> df(natom) -0.77390 -1.65129 1.16539 7505.0000 -49.75288 -48.54054 1.21234 1.76755 -48.49600 409.36593 7510.0000 -49.88285 -48.46193 1.42091 1.79121 -48.31589 481.98441 7515.0000 -49.80238 -48.84168 0.96070 1.72643 -48.80897 383.74849 7520.0000 -49.72510 -48.55425 1.17085 1.72668 -48.80707 384.39101 7525.0000 -49.66025 -48.34992 1.31033 1.73263 -48.76182 404.49187 7530.0000 -49.93357 -49.03289 0.90068 1.74596 -48.66033 395.21425 7535.0000 -50.23676 -49.54848 0.68827 1.66234 -49.29681 303.68390 7540.0000 -49.73951 -48.49299 1.24652 1.67257 -49.21898 323.77306 7545.0000 -49.76379 -48.62659 1.13719 1.74345 -48.67947 423.59315 7550.0000 -50.04720 -48.62282 1.42438 1.71999 -48.85803 389.79718 7555.0000 -50.13962 -48.42433 1.71529 1.73667 -48.73102 430.85226 7560.0000 -49.81504 -48.81168 1.00336 1.74014 -48.70468 431.64958 7565.0000 -49.64333 -48.76064 0.88268 1.73169 -48.76893 386.82702 7570.0000 -49.97168 -48.89827 1.07341 1.72353 -48.83110 384.37181 7575.0000 -49.99485 -49.06456 0.93029 1.69610 -49.03983 357.90082 7580.0000 -49.69847 -48.82395 0.87452 1.70383 -48.98101 371.09870 7585.0000 -49.78858 -48.98865 0.79993 1.71645 -48.88493 371.51442 7590.0000 -49.73982 -48.81788 0.92194 1.72580 -48.81379 392.64898 7595.0000 -50.10945 -48.90083 1.20862 1.70318 -48.98595 370.69852 7600.0000 -50.07735 -49.42393 0.65341 1.70627 -48.96248 361.65384 7605.0000 -50.18894 -49.21767 0.97127 1.65362 -49.36321 302.74507 7610.0000 -50.02820 -48.96673 1.06147 1.70281 -48.98882 385.71112 7615.0000 -49.85294 -48.81386 1.03908 1.70689 -48.95772 366.94746 7620.0000 -49.95254 -48.70441 1.24813 1.73973 -48.70776 424.45402 7625.0000 -49.38966 -48.01562 1.37405 1.76781 -48.49406 447.72235 7630.0000 -49.76899 -48.77449 0.99450 1.80061 -48.24437 493.22427 7635.0000 -50.21486 -49.33491 0.87995 1.70366 -48.98233 384.05081 7640.0000 -49.95038 -49.00168 0.94870 1.67825 -49.17573 340.70941 7645.0000 -49.95502 -49.04019 0.91484 1.68099 -49.15489 327.18157 7650.0000 -50.25763 -49.06212 1.19550 1.69273 -49.06553 357.95135 7655.0000 -49.98088 -49.14261 0.83827 1.68481 -49.12576 342.71916 7660.0000 -50.03617 -49.20384 0.83233 1.71055 -48.92987 361.40678 7665.0000 -49.92121 -49.02074 0.90047 1.66487 -49.27757 306.64657 7670.0000 -49.57472 -48.33519 1.23953 1.72343 -48.83182 384.04897 7675.0000 -49.46802 -47.98127 1.48675 1.78740 -48.34494 438.59389 7680.0000 -49.78294 -48.72239 1.06055 1.79284 -48.30350 444.26683 7685.0000 -49.96819 -48.27795 1.69023 1.75917 -48.55976 405.50671 7690.0000 -49.68161 -48.85141 0.83019 1.72851 -48.79319 368.73598 7695.0000 -50.07292 -49.43412 0.63881 1.69594 -49.04110 313.65260 7700.0000 -50.07136 -49.12652 0.94484 1.70003 -49.00991 366.93523 7705.0000 -49.72388 -48.88507 0.83881 1.67968 -49.16481 310.91722 7710.0000 -50.04688 -49.38648 0.66040 1.67037 -49.23570 306.10614 7715.0000 -49.97922 -49.12510 0.85412 1.66277 -49.29357 308.47665 7720.0000 -49.95551 -48.95441 1.00110 1.71154 -48.92235 371.37201 7725.0000 -49.93421 -49.09509 0.83912 1.71111 -48.92562 368.65567 7730.0000 -49.98128 -48.94978 1.03150 1.69915 -49.01667 359.07303 7735.0000 -49.65895 -48.65387 1.00508 1.71858 -48.86874 389.13978 7740.0000 -49.64428 -48.52112 1.12316 1.75521 -48.58995 433.82061 7745.0000 -49.65020 -48.82175 0.82845 1.74434 -48.67271 400.45308 7750.0000 -50.14488 -49.18450 0.96038 1.69940 -49.01477 343.03529 FREEZING PROCESS: loop number 32 T-loop= 356.00000000000000 main_MD> interactions number 32 at Temperature= 356.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.43851 -0.00248 0.31188 force_rgl> df(natom) 2.36786 0.38081 -0.43524 7755.0000 -50.08284 -49.07404 1.00880 1.67961 -49.16534 337.04456 7760.0000 -50.14553 -49.12572 1.01981 1.66341 -49.28869 324.58683 7765.0000 -49.90903 -48.95720 0.95183 1.69428 -49.05373 358.59365 7770.0000 -50.13447 -49.00036 1.13411 1.70176 -48.99674 373.05507 7775.0000 -49.88159 -48.93766 0.94393 1.71449 -48.89989 369.76203 7780.0000 -50.11249 -49.24645 0.86604 1.68269 -49.14195 325.61516 7785.0000 -49.92567 -48.92854 0.99713 1.72793 -48.79757 390.54196 7790.0000 -50.02827 -48.98730 1.04097 1.69399 -49.05593 354.09786 7795.0000 -50.12054 -49.16071 0.95983 1.69152 -49.07475 351.20939 7800.0000 -50.18871 -49.34168 0.84703 1.65779 -49.33148 320.44834 7805.0000 -50.23493 -49.50153 0.73340 1.64951 -49.39449 304.42880 7810.0000 -50.25534 -49.03223 1.22311 1.69231 -49.06873 342.48892 7815.0000 -49.99112 -49.13014 0.86099 1.69241 -49.06798 345.54757 7820.0000 -49.80243 -49.07798 0.72446 1.68126 -49.15284 324.68616 7825.0000 -50.07817 -49.13313 0.94504 1.71706 -48.88030 373.94069 7830.0000 -50.23521 -49.60300 0.63221 1.65835 -49.32719 292.64388 7835.0000 -50.08170 -48.98167 1.10003 1.65707 -49.33692 288.15193 7840.0000 -49.95513 -49.12344 0.83169 1.69703 -49.03277 349.37423 7845.0000 -49.82183 -48.65404 1.16779 1.73082 -48.77556 396.48406 7850.0000 -49.90439 -48.92225 0.98213 1.72691 -48.80535 395.78809 7855.0000 -50.14863 -49.04829 1.10035 1.70257 -48.99064 368.39025 7860.0000 -50.00406 -49.08400 0.92007 1.70554 -48.96798 371.83652 7865.0000 -49.85488 -48.99052 0.86436 1.70150 -48.99878 358.60399 7870.0000 -49.92500 -49.06196 0.86304 1.70874 -48.94367 350.40769 7875.0000 -49.93747 -48.91599 1.02148 1.68128 -49.15266 329.88933 7880.0000 -49.77619 -49.09828 0.67791 1.68056 -49.15818 329.94327 7885.0000 -50.00800 -49.12220 0.88581 1.67794 -49.17809 342.84242 7890.0000 -50.26880 -49.44255 0.82625 1.66762 -49.25664 314.03601 7895.0000 -50.27633 -49.34744 0.92889 1.65214 -49.37445 302.43857 7900.0000 -50.09196 -49.41728 0.67468 1.66353 -49.28775 305.77549 7905.0000 -50.20228 -49.49212 0.71016 1.64405 -49.43603 283.99720 7910.0000 -49.78656 -49.01492 0.77163 1.65069 -49.38552 295.43362 7915.0000 -50.18831 -49.24855 0.93976 1.70652 -48.96056 367.66965 7920.0000 -49.98762 -48.91026 1.07735 1.68863 -49.09674 333.33416 7925.0000 -49.80777 -48.62043 1.18734 1.74819 -48.64334 412.80080 7930.0000 -50.01888 -48.68397 1.33490 1.72310 -48.83436 367.16207 7935.0000 -50.20621 -49.45412 0.75210 1.68597 -49.11697 331.13751 7940.0000 -49.76062 -48.68631 1.07432 1.66081 -49.30847 299.32919 7945.0000 -49.77059 -48.80640 0.96420 1.75584 -48.58512 408.62475 7950.0000 -49.92559 -49.16673 0.75886 1.70939 -48.93873 369.22384 7955.0000 -50.22279 -49.31344 0.90936 1.67218 -49.22192 329.22182 7960.0000 -50.08097 -48.85668 1.22429 1.67937 -49.16718 328.36982 7965.0000 -50.11744 -49.37487 0.74257 1.69373 -49.05787 350.22726 7970.0000 -50.02595 -49.11328 0.91266 1.65959 -49.31775 309.82772 7975.0000 -50.05197 -49.27956 0.77241 1.67496 -49.20073 329.04525 7980.0000 -50.07947 -49.02850 1.05097 1.66295 -49.29218 308.21062 7985.0000 -49.97378 -48.96140 1.01239 1.70640 -48.96148 366.79358 7990.0000 -49.84989 -48.77176 1.07813 1.72177 -48.84444 382.49297 7995.0000 -50.10272 -49.34950 0.75323 1.71077 -48.92818 371.29564 8000.0000 -50.08241 -49.44182 0.64059 1.65074 -49.38510 290.61136 FREEZING PROCESS: loop number 33 T-loop= 331.00000000000000 main_MD> interactions number 33 at Temperature= 331.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.40185 1.56078 -0.07016 force_rgl> df(natom) 0.08331 -0.83342 -1.67893 8005.0000 -50.27043 -49.72983 0.54060 1.61657 -49.64524 250.26868 8010.0000 -50.02707 -49.39950 0.62757 1.62298 -49.59643 259.82366 8015.0000 -50.29166 -49.57695 0.71470 1.64810 -49.40518 288.19449 8020.0000 -50.16305 -49.55206 0.61100 1.62088 -49.61243 252.22594 8025.0000 -50.01604 -49.20171 0.81433 1.62241 -49.60079 264.05184 8030.0000 -49.84403 -49.10977 0.73427 1.68317 -49.13824 332.53175 8035.0000 -50.19412 -49.46853 0.72559 1.68848 -49.09787 338.27132 8040.0000 -50.35619 -49.39263 0.96355 1.65401 -49.36025 305.00220 8045.0000 -50.30418 -49.33712 0.96706 1.63850 -49.47829 284.83855 8050.0000 -50.07723 -49.15200 0.92524 1.68866 -49.09648 344.60892 8055.0000 -50.31604 -49.33285 0.98318 1.68015 -49.16129 326.80406 8060.0000 -50.15894 -49.41342 0.74552 1.64008 -49.46627 282.35273 8065.0000 -50.06646 -49.04150 1.02496 1.66870 -49.24845 320.76001 8070.0000 -50.09535 -49.31908 0.77627 1.68076 -49.15663 332.96483 8075.0000 -50.32514 -49.42690 0.89825 1.64718 -49.41222 292.61991 8080.0000 -49.98914 -49.13629 0.85285 1.66470 -49.27887 314.42335 8085.0000 -49.94200 -48.88408 1.05791 1.68026 -49.16045 336.17047 8090.0000 -50.03829 -49.07524 0.96305 1.68921 -49.09228 355.48608 8095.0000 -49.80992 -48.99255 0.81738 1.71665 -48.88346 365.64621 8100.0000 -49.83893 -48.96689 0.87204 1.69878 -49.01946 341.36408 8105.0000 -49.99373 -48.90892 1.08482 1.74056 -48.70143 388.54862 8110.0000 -49.75799 -48.70849 1.04951 1.71123 -48.92473 370.19813 8115.0000 -50.01908 -48.89319 1.12589 1.71294 -48.91172 382.13683 8120.0000 -49.79609 -48.73653 1.05956 1.69892 -49.01838 361.05288 8125.0000 -50.19844 -49.37253 0.82591 1.69694 -49.03344 360.89486 8130.0000 -49.88197 -48.82821 1.05377 1.67973 -49.16448 319.64172 8135.0000 -50.24749 -49.15383 1.09366 1.70823 -48.94751 373.91656 8140.0000 -50.05360 -49.21153 0.84207 1.70168 -48.99738 359.38779 8145.0000 -50.07081 -49.02786 1.04296 1.67549 -49.19675 323.49855 8150.0000 -49.92329 -49.10630 0.81699 1.68464 -49.12712 334.61001 8155.0000 -50.13765 -49.04742 1.09023 1.68980 -49.08778 336.63822 8160.0000 -50.00869 -49.12657 0.88212 1.67937 -49.16721 335.41268 8165.0000 -50.19537 -49.22331 0.97205 1.68719 -49.10766 341.42852 8170.0000 -50.35596 -49.72009 0.63588 1.63843 -49.47884 285.18275 8175.0000 -50.39335 -49.46862 0.92473 1.64451 -49.43253 290.77794 8180.0000 -50.08965 -48.87667 1.21297 1.69583 -49.04192 363.42557 8185.0000 -50.25398 -49.45555 0.79843 1.69392 -49.05647 349.85606 8190.0000 -50.47835 -49.64791 0.83043 1.63345 -49.51677 259.27881 8195.0000 -49.86207 -49.11023 0.75184 1.64042 -49.46364 277.68458 8200.0000 -49.89425 -49.28920 0.60505 1.66984 -49.23971 313.00465 8205.0000 -50.07925 -49.32236 0.75689 1.65551 -49.34879 299.21617 8210.0000 -49.98679 -49.16900 0.81778 1.66826 -49.25178 324.82659 8215.0000 -50.20195 -49.48164 0.72030 1.65625 -49.34315 301.02288 8220.0000 -50.25403 -49.20173 1.05229 1.65976 -49.31644 314.42310 8225.0000 -50.14371 -49.26764 0.87607 1.66715 -49.26023 318.88715 8230.0000 -49.84508 -49.00271 0.84237 1.67214 -49.22227 324.30948 8235.0000 -50.06582 -49.16276 0.90307 1.69083 -49.07996 346.60822 8240.0000 -49.85836 -48.90077 0.95760 1.72084 -48.85155 387.11215 8245.0000 -49.66573 -48.56737 1.09836 1.72464 -48.82259 393.83706 8250.0000 -49.66259 -48.64865 1.01395 1.75739 -48.57335 423.70252 FREEZING PROCESS: loop number 34 T-loop= 306.00000000000000 main_MD> interactions number 34 at Temperature= 306.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.43209 2.11069 0.72180 force_rgl> df(natom) 1.18492 2.05481 -3.07496 8255.0000 -50.02327 -48.98645 1.03682 1.72114 -48.84930 377.05514 8260.0000 -49.68673 -48.80808 0.87865 1.72010 -48.85718 376.76219 8265.0000 -50.15397 -49.08710 1.06686 1.71525 -48.89406 353.46298 8270.0000 -50.29057 -49.37113 0.91943 1.65423 -49.35858 298.25458 8275.0000 -50.14243 -49.35447 0.78796 1.65241 -49.37238 291.39131 8280.0000 -50.03620 -49.20577 0.83042 1.67761 -49.18059 332.14496 8285.0000 -50.16731 -49.42354 0.74378 1.65958 -49.31782 306.77905 8290.0000 -50.08625 -49.22602 0.86023 1.66588 -49.26986 318.48298 8295.0000 -50.20103 -49.37055 0.83048 1.66115 -49.30591 305.27713 8300.0000 -50.03978 -49.27766 0.76212 1.67382 -49.20946 316.01316 8305.0000 -50.01510 -49.22361 0.79149 1.70597 -48.96475 360.27370 8310.0000 -50.15875 -49.42822 0.73053 1.66278 -49.29345 315.43397 8315.0000 -50.10001 -49.22329 0.87672 1.65628 -49.34293 304.64315 8320.0000 -50.24242 -49.31284 0.92958 1.64817 -49.40469 289.05774 8325.0000 -50.24969 -49.27871 0.97099 1.65240 -49.37250 302.20373 8330.0000 -50.28103 -49.65521 0.62582 1.65142 -49.37997 295.35064 8335.0000 -49.95755 -49.25596 0.70158 1.64930 -49.39612 298.86495 8340.0000 -49.73476 -48.79435 0.94040 1.69844 -49.02208 350.33016 8345.0000 -50.36477 -49.44665 0.91812 1.68692 -49.10970 350.38845 8350.0000 -50.20834 -49.18406 1.02428 1.64539 -49.42587 289.81871 8355.0000 -50.19864 -49.55727 0.64136 1.66161 -49.30241 313.41551 8360.0000 -50.16668 -49.62805 0.53863 1.63498 -49.50511 278.45662 8365.0000 -50.17731 -49.40382 0.77349 1.64064 -49.46202 283.55423 8370.0000 -50.00645 -49.20801 0.79845 1.67296 -49.21596 321.40778 8375.0000 -50.12452 -49.37168 0.75283 1.67155 -49.22670 326.00313 8380.0000 -50.09843 -49.34135 0.75708 1.66754 -49.25721 333.43894 8385.0000 -49.95642 -49.26010 0.69632 1.67356 -49.21144 310.08877 8390.0000 -50.19349 -49.46614 0.72735 1.64789 -49.40680 283.33116 8395.0000 -50.19516 -49.50254 0.69262 1.63453 -49.50848 258.43918 8400.0000 -50.18800 -49.11271 1.07528 1.66437 -49.28139 307.78299 8405.0000 -50.15251 -49.16827 0.98424 1.69816 -49.02415 359.83696 8410.0000 -50.09423 -49.16204 0.93219 1.67073 -49.23295 320.09406 8415.0000 -50.15614 -49.28401 0.87213 1.67916 -49.16877 332.26954 8420.0000 -50.14204 -49.31413 0.82790 1.68019 -49.16097 337.26196 8425.0000 -50.16711 -49.51805 0.64906 1.63434 -49.50996 279.22126 8430.0000 -50.16610 -49.36315 0.80295 1.66328 -49.28964 298.63940 8435.0000 -50.37997 -49.74918 0.63079 1.62508 -49.58044 258.38011 8440.0000 -49.79686 -48.97247 0.82439 1.64395 -49.43679 287.88361 8445.0000 -50.11261 -49.00677 1.10585 1.69455 -49.05167 334.07619 8450.0000 -50.00020 -48.95203 1.04817 1.69789 -49.02626 346.25988 8455.0000 -50.35994 -49.30086 1.05908 1.68644 -49.11337 338.41923 8460.0000 -49.99829 -49.05772 0.94057 1.67408 -49.20746 334.31807 8465.0000 -50.16916 -49.46004 0.70911 1.66122 -49.30535 313.13507 8470.0000 -49.96399 -49.29487 0.66912 1.66980 -49.24004 331.33923 8475.0000 -50.30021 -49.33215 0.96805 1.63522 -49.50327 276.51260 8480.0000 -50.11849 -49.23810 0.88040 1.67867 -49.17251 330.68172 8485.0000 -50.11948 -49.14018 0.97929 1.68314 -49.13848 347.17079 8490.0000 -50.33322 -49.50606 0.82715 1.65382 -49.36170 305.01218 8495.0000 -50.13878 -49.36825 0.77053 1.65269 -49.37026 291.04756 8500.0000 -50.23741 -49.48315 0.75426 1.64922 -49.39670 296.07512 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 31.7696203 [s]. main_MD> Deallocating global variables