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_34.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 = 34 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: 34 3400 main_MD> Size of nv and nvoiz: 34 3400 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 = 34 main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance main_MD> collvar_wanted = F main_MD> INPUT AND POTENTIAL FILE READING IS DONE main_MD> THERMALIZATION IS STARTING init> 0.16330235381049824 -6.0874583245566029E-002 -0.22108034243978547 initial drift of cluster / NP1 for coalescence init> 0.41838104861619374 0.32599662880267094 0.24853271110101360 scaling for velocity /for coalescence NP1 init.f90 > facguy = 3.6567191648939831E-003 preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084 preparo> END t=0 TIME STEP force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.17013 -0.70752 2.56063 force_rgl> df(natom) 0.90046 -0.14125 -0.84242 preparo> THERMALIZATION PROCESS AT 1157.4906837456131 preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA 5000 -71.149264645161452 4.2814911328440708 -75.430755778005519 6.1361159416903669E-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= 1135.0000000000000 main_MD> interactions number 1 at Temperature= 1135.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.07136 -2.37348 -0.04094 force_rgl> df(natom) 1.14541 -0.07592 -1.00172 5.0000 -76.60843 -71.54003 5.06840 2.74278 -71.51427 1244.92233 10.0000 -77.21241 -72.88282 4.32959 2.73593 -71.58621 1222.69712 15.0000 -77.27672 -72.79088 4.48584 2.57909 -73.23220 1080.42692 20.0000 -76.95489 -72.09342 4.86146 2.63657 -72.62901 1173.16266 25.0000 -78.32401 -72.93209 5.39193 2.64004 -72.59257 1168.73154 30.0000 -77.85608 -73.21578 4.64029 2.60739 -72.93521 1119.46396 35.0000 -77.93112 -72.57172 5.35940 2.66009 -72.38215 1178.73467 40.0000 -77.83592 -72.65290 5.18302 2.66852 -72.29370 1152.82210 45.0000 -76.46182 -71.19405 5.26776 2.70715 -71.88823 1143.99451 50.0000 -77.17249 -72.70243 4.47006 2.69159 -72.05158 1179.88556 55.0000 -78.75672 -74.92230 3.83442 2.53058 -73.74137 1028.95519 60.0000 -77.83960 -72.57377 5.26584 2.57978 -73.22494 1131.54616 65.0000 -77.66899 -72.16756 5.50142 2.63290 -72.66745 1188.11208 70.0000 -77.34474 -72.86550 4.47923 2.62470 -72.75359 1090.19258 75.0000 -76.40136 -70.97566 5.42569 2.67508 -72.22482 1211.53503 80.0000 -78.18979 -72.99791 5.19188 2.68580 -72.11230 1173.60106 85.0000 -78.59742 -74.19184 4.40558 2.57765 -73.24735 1128.38292 90.0000 -78.68235 -73.59033 5.09203 2.56759 -73.35293 1051.28076 95.0000 -79.77399 -75.40416 4.36984 2.36993 -75.42739 916.25388 100.0000 -78.79227 -74.21360 4.57867 2.42572 -74.84183 1012.71942 105.0000 -76.58318 -71.91451 4.66867 2.56243 -73.40712 1093.47331 110.0000 -76.94596 -70.47222 6.47374 2.78381 -71.08367 1212.66726 115.0000 -77.90141 -74.05734 3.84407 2.68779 -72.09143 1173.61616 120.0000 -77.89370 -72.81898 5.07472 2.60343 -72.97675 1114.62729 125.0000 -77.13016 -71.75472 5.37545 2.67302 -72.24648 1176.41065 130.0000 -76.01032 -71.13657 4.87375 2.74511 -71.48980 1198.74988 135.0000 -76.30307 -70.85156 5.45150 2.83197 -70.57818 1309.19463 140.0000 -77.90170 -71.73825 6.16344 2.75830 -71.35143 1241.66812 145.0000 -77.88153 -72.89784 4.98369 2.66882 -72.29049 1102.82010 150.0000 -77.64151 -72.03979 5.60172 2.55327 -73.50320 1073.25092 155.0000 -77.11686 -72.84014 4.27672 2.62156 -72.78649 1106.26091 160.0000 -77.93016 -72.20187 5.72830 2.64329 -72.55846 1129.91897 165.0000 -77.81045 -72.74057 5.06987 2.65432 -72.44268 1115.87066 170.0000 -77.70707 -73.85133 3.85574 2.51735 -73.88017 1031.29208 175.0000 -76.55222 -71.31292 5.23930 2.61967 -72.80634 1136.70669 180.0000 -77.01101 -71.56728 5.44373 2.73478 -71.59822 1246.47728 185.0000 -76.57917 -72.44707 4.13210 2.73586 -71.58689 1208.82737 190.0000 -77.03755 -72.98129 4.05626 2.66273 -72.35437 1141.27522 195.0000 -77.16491 -72.40550 4.75941 2.60334 -72.97769 1065.87983 200.0000 -77.23438 -72.38710 4.84728 2.61004 -72.90738 1110.68853 205.0000 -78.31052 -71.45738 6.85314 2.75970 -71.33674 1256.14731 210.0000 -76.38494 -70.87554 5.50940 2.76279 -71.30425 1269.08505 215.0000 -76.20981 -72.08770 4.12211 2.80763 -70.83369 1274.47789 220.0000 -78.28306 -73.69921 4.58384 2.62209 -72.78089 1076.19102 225.0000 -77.44796 -72.18309 5.26487 2.63450 -72.65068 1172.79133 230.0000 -77.81402 -73.08537 4.72865 2.65335 -72.45283 1118.11084 235.0000 -78.75988 -73.12867 5.63121 2.64112 -72.58124 1147.67643 240.0000 -80.10009 -76.87895 3.22113 2.46773 -74.40095 988.54290 245.0000 -79.08419 -74.99058 4.09361 2.37566 -75.36730 869.27674 250.0000 -78.64711 -74.18843 4.45868 2.44738 -74.61455 1006.03377 FREEZING PROCESS: loop number 2 T-loop= 1110.0000000000000 main_MD> interactions number 2 at Temperature= 1110.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.07398 0.58764 0.27135 force_rgl> df(natom) -1.14380 -3.62194 0.16073 255.0000 -78.55419 -74.09470 4.45949 2.51988 -73.85367 1023.83176 260.0000 -77.09757 -71.90964 5.18794 2.57869 -73.23642 1143.88704 265.0000 -78.69230 -73.24259 5.44971 2.62095 -72.79292 1164.25294 270.0000 -78.09216 -73.45235 4.63981 2.57945 -73.22843 1089.75956 275.0000 -78.86411 -73.53743 5.32668 2.61496 -72.85578 1159.17280 280.0000 -78.60067 -72.95964 5.64103 2.53220 -73.72440 1032.02591 285.0000 -77.50285 -72.35143 5.15142 2.57911 -73.23203 1077.62016 290.0000 -77.58172 -71.18194 6.39978 2.73936 -71.55015 1263.67692 295.0000 -76.72888 -72.28967 4.43921 2.73421 -71.60423 1223.65716 300.0000 -77.51963 -73.14230 4.37734 2.61997 -72.80324 1148.62394 305.0000 -77.22570 -70.65014 6.57556 2.77005 -71.22812 1249.24502 310.0000 -76.73777 -70.05244 6.68533 2.92569 -69.59466 1381.98805 315.0000 -74.98993 -67.37943 7.61050 3.00544 -68.75767 1346.73257 320.0000 -74.93691 -69.81832 5.11859 2.95479 -69.28925 1382.74610 325.0000 -77.53539 -72.96325 4.57214 2.71802 -71.77420 1184.51568 330.0000 -78.61558 -73.65559 4.96000 2.54186 -73.62294 1046.84921 335.0000 -77.49087 -72.09211 5.39876 2.58900 -73.12826 1089.46579 340.0000 -77.59000 -74.12554 3.46446 2.56190 -73.41263 1111.01342 345.0000 -78.97503 -73.41214 5.56289 2.53071 -73.74001 1044.70983 350.0000 -79.06697 -74.78683 4.28014 2.45121 -74.57434 995.53669 355.0000 -78.37456 -74.16051 4.21405 2.47088 -74.36789 1007.48912 360.0000 -78.00039 -74.08399 3.91640 2.54655 -73.57379 1058.90503 365.0000 -79.43020 -75.10350 4.32670 2.45637 -74.52014 993.21064 370.0000 -78.38139 -73.89885 4.48254 2.52368 -73.81378 1045.62466 375.0000 -78.29923 -73.77927 4.51996 2.52123 -73.83946 1045.33515 380.0000 -79.16051 -74.01126 5.14926 2.48658 -74.20310 1015.72225 385.0000 -76.84989 -71.43976 5.41013 2.65089 -72.47868 1181.02596 390.0000 -76.56995 -71.58921 4.98074 2.75226 -71.41480 1283.33268 395.0000 -78.85450 -74.58702 4.26747 2.62419 -72.75895 1126.82016 400.0000 -77.53859 -73.84337 3.69522 2.52809 -73.76749 1066.57266 405.0000 -76.43612 -72.10724 4.32888 2.65289 -72.45769 1161.24367 410.0000 -76.49565 -70.85923 5.63642 2.78960 -71.02292 1283.17451 415.0000 -75.98375 -72.00091 3.98284 2.80001 -70.91365 1257.18805 420.0000 -76.19699 -71.26375 4.93324 2.74673 -71.47288 1240.38109 425.0000 -77.80263 -74.02985 3.77278 2.67931 -72.18043 1146.79059 430.0000 -78.97388 -73.29913 5.67474 2.52245 -73.82664 1040.64901 435.0000 -76.44859 -71.33993 5.10866 2.69461 -72.01979 1172.52595 440.0000 -76.12391 -70.73029 5.39362 2.82125 -70.69072 1258.49643 445.0000 -77.25862 -72.44080 4.81783 2.64742 -72.51508 1088.76776 450.0000 -77.60030 -73.67640 3.92391 2.61404 -72.86539 1112.37301 455.0000 -77.79700 -72.71169 5.08531 2.56762 -73.35264 1063.03278 460.0000 -77.45999 -72.42213 5.03786 2.61828 -72.82094 1100.86233 465.0000 -77.80358 -71.87383 5.92975 2.65493 -72.43627 1163.97326 470.0000 -77.35990 -72.71700 4.64290 2.65371 -72.44910 1167.94137 475.0000 -76.64038 -71.68661 4.95377 2.63225 -72.67436 1158.92744 480.0000 -77.38689 -72.07137 5.31552 2.68227 -72.14935 1208.47521 485.0000 -76.89099 -70.74546 6.14554 2.70763 -71.88323 1183.54928 490.0000 -77.64143 -72.05792 5.58351 2.79242 -70.99326 1342.79147 495.0000 -77.29366 -72.72936 4.56430 2.64455 -72.54527 1111.82405 500.0000 -79.57864 -73.16864 6.41000 2.56819 -73.34661 1049.24835 FREEZING PROCESS: loop number 3 T-loop= 1085.0000000000000 main_MD> interactions number 3 at Temperature= 1085.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.97181 -4.01931 0.56732 force_rgl> df(natom) 0.75125 1.03754 1.70969 505.0000 -77.96326 -73.27627 4.68699 2.57288 -73.29737 1051.63695 510.0000 -78.66655 -73.99883 4.66772 2.52851 -73.76304 1044.67597 515.0000 -78.37790 -74.01043 4.36747 2.50108 -74.05095 1022.27854 520.0000 -78.84186 -73.97375 4.86811 2.50083 -74.05356 1034.70489 525.0000 -77.85354 -73.71653 4.13701 2.59477 -73.06768 1108.06034 530.0000 -78.66112 -74.04478 4.61633 2.55870 -73.44624 1066.35976 535.0000 -77.44555 -73.35648 4.08907 2.60217 -72.98997 1115.65084 540.0000 -78.33900 -74.40676 3.93224 2.56183 -73.41335 1025.73486 545.0000 -77.80571 -73.74442 4.06129 2.55977 -73.43497 1027.02425 550.0000 -78.73883 -74.73360 4.00522 2.53589 -73.68558 1023.84686 555.0000 -78.35682 -73.92673 4.43009 2.48172 -74.25417 1027.01156 560.0000 -78.67906 -73.70275 4.97631 2.53574 -73.68719 1048.55114 565.0000 -79.88328 -75.75578 4.12750 2.50531 -74.00658 1036.54308 570.0000 -79.03505 -74.25721 4.77784 2.37212 -75.40436 893.84625 575.0000 -79.47615 -75.22418 4.25198 2.43550 -74.73927 1030.44674 580.0000 -79.58823 -74.42737 5.16086 2.46433 -74.43662 1008.44583 585.0000 -78.21531 -72.31023 5.90508 2.51523 -73.90249 1040.21941 590.0000 -77.46410 -73.90194 3.56216 2.66897 -72.28893 1185.03494 595.0000 -77.42584 -73.65841 3.76742 2.46335 -74.44692 956.04464 600.0000 -77.91446 -73.14679 4.76767 2.55797 -73.45387 1049.63151 605.0000 -78.82709 -73.49475 5.33234 2.51460 -73.90903 1013.10043 610.0000 -77.35913 -72.50163 4.85750 2.57985 -73.22421 1129.38225 615.0000 -76.82458 -71.19848 5.62610 2.70698 -71.89005 1184.97148 620.0000 -77.40682 -73.21359 4.19323 2.64297 -72.56181 1126.97751 625.0000 -77.71453 -72.35804 5.35649 2.59959 -73.01704 1099.07221 630.0000 -77.07449 -72.10037 4.97412 2.66726 -72.30685 1172.06089 635.0000 -79.21171 -74.40743 4.80428 2.53639 -73.68037 1060.63719 640.0000 -78.65373 -73.85375 4.79998 2.53849 -73.65831 999.67816 645.0000 -79.11811 -74.92051 4.19760 2.49838 -74.07927 984.59540 650.0000 -78.49594 -73.38957 5.10637 2.51898 -73.86306 1016.62869 655.0000 -78.12726 -73.10703 5.02023 2.58056 -73.21677 1040.52460 660.0000 -78.82417 -73.81198 5.01219 2.53077 -73.73939 1015.92028 665.0000 -77.70161 -73.14307 4.55854 2.55208 -73.51568 1056.67791 670.0000 -76.60405 -72.16445 4.43960 2.65323 -72.45413 1202.44850 675.0000 -78.24662 -72.89641 5.35021 2.65294 -72.45721 1130.68915 680.0000 -78.40552 -74.00799 4.39753 2.54344 -73.60637 1039.71897 685.0000 -78.18063 -75.00711 3.17351 2.45888 -74.49390 914.05424 690.0000 -79.17366 -74.45707 4.71659 2.46311 -74.44950 962.48315 695.0000 -78.84775 -73.85111 4.99663 2.47409 -74.33417 1038.93082 700.0000 -78.25236 -73.62052 4.63184 2.52172 -73.83438 1005.59084 705.0000 -75.97409 -71.14065 4.83345 2.67899 -72.18373 1165.88161 710.0000 -78.11215 -72.09072 6.02143 2.71822 -71.77204 1218.28293 715.0000 -77.28198 -72.60406 4.67792 2.64528 -72.53761 1114.68842 720.0000 -77.42665 -74.29767 3.12898 2.52245 -73.82671 971.53057 725.0000 -77.15019 -71.11811 6.03207 2.61098 -72.89759 1117.98475 730.0000 -78.53389 -73.13046 5.40343 2.64414 -72.54954 1225.50556 735.0000 -79.29236 -75.49846 3.79390 2.44415 -74.64841 966.99631 740.0000 -79.05278 -74.33657 4.71620 2.49081 -74.15874 993.71636 745.0000 -78.72202 -73.29773 5.42429 2.52172 -73.83433 1045.26748 750.0000 -78.19381 -73.04461 5.14920 2.67057 -72.27218 1092.26389 FREEZING PROCESS: loop number 4 T-loop= 1060.0000000000000 main_MD> interactions number 4 at Temperature= 1060.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.28948 0.21462 -1.74787 force_rgl> df(natom) -3.15970 -1.82029 0.07686 755.0000 -79.13626 -74.26640 4.86986 2.62603 -72.73958 1091.03544 760.0000 -78.32236 -75.12487 3.19750 2.48697 -74.19903 996.05652 765.0000 -78.77126 -74.92028 3.85098 2.34921 -75.64487 899.20825 770.0000 -78.36057 -73.93507 4.42550 2.48141 -74.25739 994.64406 775.0000 -78.09797 -73.71352 4.38446 2.51595 -73.89488 1024.60044 780.0000 -76.34925 -71.44880 4.90045 2.58284 -73.19287 1048.85636 785.0000 -76.83933 -72.31696 4.52237 2.70320 -71.92964 1145.40986 790.0000 -77.77116 -72.56707 5.20410 2.68213 -72.15079 1148.35190 795.0000 -77.19989 -72.48121 4.71868 2.60890 -72.91935 1082.72811 800.0000 -77.71912 -73.03162 4.68750 2.57521 -73.27294 1076.32392 805.0000 -77.27679 -71.81680 5.45999 2.68656 -72.10434 1161.70511 810.0000 -78.50101 -73.53399 4.96702 2.64702 -72.51928 1203.09099 815.0000 -78.18415 -74.43989 3.74426 2.55665 -73.46775 1015.66603 820.0000 -77.44772 -72.52707 4.92066 2.59319 -73.08430 1062.23045 825.0000 -76.22720 -72.30998 3.91723 2.60059 -73.00661 1117.15551 830.0000 -78.25299 -72.54866 5.70433 2.69349 -72.03155 1208.23862 835.0000 -77.38021 -71.29829 6.08191 2.69982 -71.96521 1137.82426 840.0000 -77.17345 -71.89838 5.27506 2.66779 -72.30132 1110.34060 845.0000 -77.86894 -72.75543 5.11350 2.57168 -73.31004 1008.56451 850.0000 -77.55584 -72.53542 5.02043 2.65045 -72.48330 1177.63393 855.0000 -77.60526 -72.64536 4.95991 2.66477 -72.33297 1119.90595 860.0000 -77.37312 -73.65572 3.71740 2.59043 -73.11321 1100.13210 865.0000 -77.41495 -73.09345 4.32150 2.60685 -72.94084 1127.09151 870.0000 -77.87549 -73.34764 4.52785 2.57708 -73.25336 1042.78488 875.0000 -76.87154 -72.85855 4.01299 2.53765 -73.66717 1022.33570 880.0000 -77.03555 -72.14935 4.88620 2.62979 -72.70008 1175.74229 885.0000 -77.33201 -71.93540 5.39661 2.69535 -72.01209 1192.79609 890.0000 -76.11674 -70.91306 5.20368 2.77050 -71.22334 1238.77084 895.0000 -75.35947 -68.09522 7.26425 2.93602 -69.48627 1420.35721 900.0000 -76.07336 -70.38246 5.69090 2.95884 -69.24674 1399.96957 905.0000 -76.77085 -72.17093 4.59991 2.72235 -71.72870 1202.36531 910.0000 -79.14440 -73.19597 5.94844 2.61697 -72.83463 1145.27370 915.0000 -79.53181 -74.62315 4.90866 2.46759 -74.40245 984.20053 920.0000 -80.43840 -75.19409 5.24431 2.39915 -75.12071 969.91783 925.0000 -78.83943 -74.52825 4.31118 2.44689 -74.61973 1039.79553 930.0000 -77.70790 -73.28596 4.42194 2.50179 -74.04346 1027.27718 935.0000 -78.35303 -73.77564 4.57739 2.55737 -73.46013 1098.76960 940.0000 -78.27126 -74.49706 3.77419 2.53035 -73.74379 1074.31558 945.0000 -80.22938 -75.92150 4.30788 2.39511 -75.16309 922.29906 950.0000 -77.08883 -73.58176 3.50707 2.40498 -75.05953 936.71129 955.0000 -78.76419 -73.72613 5.03806 2.51034 -73.95379 1045.26707 960.0000 -77.81564 -73.30780 4.50784 2.60048 -73.00775 1109.72403 965.0000 -78.10923 -72.64867 5.46056 2.67061 -72.27176 1138.20580 970.0000 -78.74840 -74.14094 4.60746 2.49122 -74.15439 997.13296 975.0000 -77.31120 -72.16149 5.14971 2.62576 -72.74245 1100.17958 980.0000 -76.65961 -70.28536 6.37425 2.75855 -71.34882 1180.43189 985.0000 -78.47172 -74.47401 3.99771 2.71419 -71.81434 1201.45832 990.0000 -78.89726 -72.95227 5.94499 2.56335 -73.39740 1081.94428 995.0000 -78.28289 -73.73363 4.54927 2.62507 -72.74972 1063.10610 1000.0000 -77.46764 -73.66019 3.80745 2.57343 -73.29161 1078.13075 FREEZING PROCESS: loop number 5 T-loop= 1035.0000000000000 main_MD> interactions number 5 at Temperature= 1035.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.04447 4.75421 -1.37362 force_rgl> df(natom) 2.07042 -3.84906 -5.86630 1005.0000 -79.17153 -74.86709 4.30443 2.54708 -73.56817 1084.51754 1010.0000 -78.02775 -73.50392 4.52384 2.39453 -75.16920 885.93663 1015.0000 -78.10440 -74.53393 3.57048 2.49003 -74.16688 1016.38112 1020.0000 -79.16413 -75.20726 3.95687 2.49092 -74.15762 1005.94314 1025.0000 -78.76976 -75.21285 3.55691 2.31875 -75.96448 872.07361 1030.0000 -78.68282 -74.99026 3.69255 2.35416 -75.59288 906.17708 1035.0000 -77.90942 -73.56552 4.34390 2.52869 -73.76113 1051.40825 1040.0000 -78.63628 -73.72841 4.90788 2.56485 -73.38165 1084.20239 1045.0000 -78.15988 -73.60273 4.55715 2.47262 -74.34967 1037.91285 1050.0000 -77.75307 -73.29388 4.45919 2.59699 -73.04434 1138.71704 1055.0000 -78.85738 -74.32726 4.53013 2.50605 -73.99881 1025.18003 1060.0000 -77.82627 -73.06068 4.76559 2.55533 -73.48159 1061.47767 1065.0000 -77.52207 -73.92009 3.60198 2.55552 -73.47965 1068.44344 1070.0000 -78.51124 -74.26818 4.24306 2.49559 -74.10854 1010.01843 1075.0000 -79.98771 -75.30471 4.68300 2.41916 -74.91068 1005.22233 1080.0000 -79.19000 -74.67990 4.51011 2.39325 -75.18269 897.23570 1085.0000 -79.23996 -75.16278 4.07718 2.42425 -74.85733 928.02128 1090.0000 -77.53462 -73.29440 4.24022 2.39858 -75.12665 931.29555 1095.0000 -77.52787 -72.51431 5.01356 2.60438 -72.96685 1103.11188 1100.0000 -76.43358 -72.16163 4.27194 2.66659 -72.31394 1142.11134 1105.0000 -78.17523 -73.82075 4.35447 2.61079 -72.89951 1138.40568 1110.0000 -78.94940 -73.17280 5.77660 2.54815 -73.55694 1035.26260 1115.0000 -78.51967 -74.38421 4.13546 2.54934 -73.54447 1060.88931 1120.0000 -78.99462 -75.67798 3.31663 2.46174 -74.46383 1029.28949 1125.0000 -78.48122 -73.48888 4.99233 2.45160 -74.57022 992.68468 1130.0000 -77.78036 -72.85264 4.92772 2.50209 -74.04032 1041.65056 1135.0000 -78.26627 -73.92427 4.34201 2.54868 -73.55140 1040.86944 1140.0000 -79.31821 -74.76098 4.55724 2.40963 -75.01075 941.04621 1145.0000 -79.85775 -74.98683 4.87092 2.40621 -75.04666 968.32051 1150.0000 -79.31024 -75.53983 3.77041 2.37753 -75.34765 918.53122 1155.0000 -79.03612 -74.84305 4.19307 2.39423 -75.17240 920.24999 1160.0000 -78.18758 -73.89672 4.29086 2.48488 -74.22093 975.61549 1165.0000 -77.90511 -72.13468 5.77044 2.63744 -72.61986 1145.30726 1170.0000 -79.24849 -75.17380 4.07469 2.53266 -73.71951 1073.98128 1175.0000 -77.56781 -72.03549 5.53232 2.47099 -74.36677 968.24000 1180.0000 -77.25242 -72.23228 5.02014 2.68347 -72.13679 1089.73233 1185.0000 -78.33203 -72.42801 5.90403 2.63611 -72.63379 1125.04797 1190.0000 -77.75148 -72.97934 4.77214 2.55472 -73.48799 1054.66168 1195.0000 -77.70072 -72.29982 5.40090 2.59641 -73.05044 1124.30102 1200.0000 -76.78627 -71.74361 5.04266 2.67315 -72.24510 1127.12375 1205.0000 -77.41721 -72.79195 4.62527 2.61688 -72.83566 1128.28864 1210.0000 -78.39560 -74.23345 4.16216 2.52565 -73.79311 1026.20425 1215.0000 -79.53387 -74.94984 4.58403 2.49754 -74.08811 1012.01442 1220.0000 -78.54018 -73.99169 4.54848 2.55969 -73.43584 1115.22885 1225.0000 -77.85903 -73.18995 4.66908 2.54174 -73.62426 1048.30759 1230.0000 -77.48358 -72.72936 4.75423 2.60542 -72.95591 1109.32507 1235.0000 -76.88895 -71.47802 5.41093 2.62850 -72.71365 1155.23647 1240.0000 -77.40773 -71.58559 5.82214 2.63536 -72.64167 1096.34878 1245.0000 -78.56706 -73.82545 4.74162 2.60332 -72.97795 1123.36787 1250.0000 -79.85766 -75.30824 4.54942 2.44239 -74.66686 950.67433 FREEZING PROCESS: loop number 6 T-loop= 1010.0000000000000 main_MD> interactions number 6 at Temperature= 1010.0000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.00971 -0.06555 -0.00008 force_rgl> df(natom) -1.08588 -0.74045 7.81827 1255.0000 -78.18382 -75.11193 3.07189 2.38416 -75.27805 885.86558 1260.0000 -78.98721 -75.03817 3.94904 2.41689 -74.93450 872.23697 1265.0000 -78.69386 -74.58682 4.10704 2.43647 -74.72907 918.89603 1270.0000 -79.94791 -75.61119 4.33673 2.41806 -74.92229 935.81338 1275.0000 -78.68496 -74.63268 4.05229 2.38733 -75.24478 948.69456 1280.0000 -77.46026 -73.30466 4.15560 2.50772 -73.98127 991.94084 1285.0000 -78.62124 -73.90965 4.71158 2.50320 -74.02870 985.24308 1290.0000 -79.16975 -74.90594 4.26380 2.48137 -74.25782 916.99208 1295.0000 -78.20417 -74.55764 3.64653 2.41251 -74.98055 932.05578 1300.0000 -79.13616 -73.83168 5.30448 2.55429 -73.49253 1048.21590 1305.0000 -77.11091 -73.01112 4.09979 2.56069 -73.42539 1074.59066 1310.0000 -78.03686 -73.85784 4.17903 2.55322 -73.50373 1012.17043 1315.0000 -78.19143 -73.12235 5.06908 2.54787 -73.55987 1013.94449 1320.0000 -79.06403 -74.44756 4.61647 2.43653 -74.72845 949.30289 1325.0000 -78.65456 -74.19059 4.46397 2.48824 -74.18567 1039.48937 1330.0000 -78.38050 -74.37046 4.01003 2.44200 -74.67102 946.14860 1335.0000 -78.19088 -73.60875 4.58212 2.50524 -74.00732 992.99890 1340.0000 -77.38005 -71.72845 5.65160 2.61247 -72.88191 1106.71348 1345.0000 -76.76607 -72.82998 3.93609 2.62396 -72.76134 1094.14196 1350.0000 -77.39859 -72.55729 4.84130 2.55888 -73.44435 1013.25169 1355.0000 -76.06075 -71.25935 4.80140 2.62673 -72.73223 1062.49528 1360.0000 -78.58251 -74.04593 4.53657 2.62276 -72.77388 1110.66926 1365.0000 -78.08876 -73.54167 4.54710 2.51690 -73.88497 997.00973 1370.0000 -79.63587 -73.95044 5.68543 2.57972 -73.22562 1080.65280 1375.0000 -78.05644 -73.42414 4.63230 2.58597 -73.16005 1087.56607 1380.0000 -76.96200 -73.07921 3.88279 2.66863 -72.29254 1156.83481 1385.0000 -78.17702 -72.69556 5.48146 2.61792 -72.82473 1100.15158 1390.0000 -78.98552 -73.95644 5.02908 2.59658 -73.04867 1110.03446 1395.0000 -78.51281 -74.41297 4.09984 2.50132 -74.04845 1002.39551 1400.0000 -78.14851 -73.04998 5.09853 2.55295 -73.50659 1079.07554 1405.0000 -78.03528 -73.28352 4.75176 2.56874 -73.34088 1095.64156 1410.0000 -78.68226 -73.56906 5.11320 2.64336 -72.55772 1119.08288 1415.0000 -78.83848 -74.42722 4.41127 2.51716 -73.88218 1016.08058 1420.0000 -79.52231 -75.41757 4.10474 2.44302 -74.66033 1007.73587 1425.0000 -78.52949 -74.25614 4.27334 2.43359 -74.75927 973.30063 1430.0000 -79.28254 -74.43480 4.84774 2.44425 -74.64741 969.31822 1435.0000 -77.91002 -73.51939 4.39064 2.54995 -73.53811 1096.98267 1440.0000 -78.39679 -75.67791 2.71888 2.44099 -74.68157 948.02686 1445.0000 -79.16390 -74.91846 4.24544 2.38961 -75.22085 896.50035 1450.0000 -78.59095 -75.14475 3.44621 2.45339 -74.55143 941.32879 1455.0000 -79.27549 -75.13688 4.13861 2.42979 -74.79914 985.48891 1460.0000 -79.23358 -73.82750 5.40608 2.45732 -74.51019 1026.37857 1465.0000 -78.83750 -74.20506 4.63244 2.53278 -73.71830 1046.69575 1470.0000 -78.51156 -73.52995 4.98161 2.52020 -73.85027 1035.37263 1475.0000 -78.05489 -73.48422 4.57067 2.62019 -72.80088 1103.34447 1480.0000 -79.12794 -75.06593 4.06201 2.49916 -74.07106 996.82361 1485.0000 -78.62221 -73.82273 4.79948 2.45052 -74.58155 958.21559 1490.0000 -78.57493 -74.29881 4.27612 2.49136 -74.15294 1027.13510 1495.0000 -77.34882 -72.72101 4.62781 2.53105 -73.73638 992.32309 1500.0000 -78.07417 -73.76464 4.30954 2.60256 -72.98588 1077.47331 FREEZING PROCESS: loop number 7 T-loop= 985.00000000000000 main_MD> interactions number 7 at Temperature= 985.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.13821 -1.14107 0.08437 force_rgl> df(natom) -0.31760 -1.75934 0.65035 1505.0000 -78.41964 -74.09388 4.32576 2.53848 -73.65847 1004.15477 1510.0000 -78.33113 -74.42255 3.90858 2.52519 -73.79788 1022.75124 1515.0000 -79.69830 -75.35109 4.34721 2.38360 -75.28389 926.25010 1520.0000 -79.74545 -74.49618 5.24928 2.40517 -75.05750 945.62804 1525.0000 -79.26295 -74.21096 5.05199 2.46650 -74.41388 1012.72119 1530.0000 -79.43704 -75.26444 4.17260 2.41566 -74.94744 938.43397 1535.0000 -78.30028 -73.80096 4.49931 2.45588 -74.52538 971.86143 1540.0000 -79.19888 -74.73288 4.46600 2.49963 -74.06615 1015.68117 1545.0000 -77.84951 -73.18354 4.66597 2.45863 -74.49652 1015.15155 1550.0000 -78.58905 -72.92071 5.66834 2.60757 -72.93335 1100.04936 1555.0000 -78.26151 -73.34395 4.91756 2.58692 -73.15008 1082.21235 1560.0000 -77.90252 -74.02623 3.87629 2.49991 -74.06328 1002.78072 1565.0000 -77.94548 -72.98245 4.96303 2.63291 -72.66741 1166.18859 1570.0000 -79.48325 -74.66944 4.81381 2.52311 -73.81975 982.03300 1575.0000 -78.65898 -73.65384 5.00514 2.42468 -74.85275 965.06212 1580.0000 -78.02244 -73.02464 4.99779 2.62733 -72.72593 1141.32387 1585.0000 -77.62069 -73.41166 4.20903 2.53701 -73.67388 1028.84820 1590.0000 -78.04855 -73.47605 4.57250 2.52646 -73.78464 996.81034 1595.0000 -79.90127 -73.94616 5.95511 2.49765 -74.08690 1055.86347 1600.0000 -78.28858 -73.21972 5.06886 2.52411 -73.80924 1051.08416 1605.0000 -78.48223 -74.39611 4.08611 2.48811 -74.18702 989.47477 1610.0000 -78.70776 -74.39254 4.31522 2.51627 -73.89156 1069.29511 1615.0000 -79.44485 -74.62430 4.82054 2.46289 -74.45171 1030.30399 1620.0000 -78.26914 -73.70425 4.56489 2.48953 -74.17222 1002.34775 1625.0000 -78.43150 -74.46861 3.96289 2.50437 -74.01642 985.60126 1630.0000 -78.29245 -73.55276 4.73970 2.52378 -73.81273 988.11129 1635.0000 -79.18588 -75.05225 4.13363 2.49727 -74.09094 972.33233 1640.0000 -78.94308 -74.40402 4.53906 2.45541 -74.53029 985.04829 1645.0000 -77.77141 -72.60612 5.16529 2.58308 -73.19037 1097.63605 1650.0000 -78.09477 -73.80657 4.28820 2.60252 -72.98637 1074.99915 1655.0000 -78.70273 -73.99635 4.70638 2.53601 -73.68433 1093.08680 1660.0000 -78.48569 -73.91351 4.57218 2.51450 -73.91010 1042.27863 1665.0000 -78.98482 -75.03895 3.94587 2.44461 -74.64357 985.44429 1670.0000 -79.34991 -75.38965 3.96026 2.39026 -75.21399 930.15612 1675.0000 -79.51772 -74.31631 5.20140 2.39571 -75.15677 947.19281 1680.0000 -77.86120 -73.62974 4.23146 2.51296 -73.92631 1041.39364 1685.0000 -78.65310 -73.65131 5.00178 2.56704 -73.35875 1044.98779 1690.0000 -79.54181 -75.68825 3.85357 2.48282 -74.24256 988.97114 1695.0000 -79.63419 -74.66462 4.96957 2.43353 -74.75992 929.75789 1700.0000 -80.55336 -76.61433 3.93903 2.32646 -75.88362 843.22076 1705.0000 -78.76904 -74.26030 4.50875 2.38452 -75.27428 939.07118 1710.0000 -79.95654 -75.60545 4.35109 2.38216 -75.29906 906.15846 1715.0000 -79.47802 -76.32220 3.15582 2.33823 -75.76003 869.41870 1720.0000 -78.99887 -74.40459 4.59427 2.39326 -75.18248 908.55911 1725.0000 -77.54485 -72.85467 4.69017 2.56688 -73.36042 1109.59398 1730.0000 -78.58089 -74.26268 4.31822 2.63876 -72.60600 1091.89706 1735.0000 -78.64284 -74.69634 3.94650 2.49750 -74.08856 1002.70238 1740.0000 -79.68572 -75.35035 4.33537 2.35907 -75.54140 920.28226 1745.0000 -80.00471 -76.06390 3.94081 2.34194 -75.72119 906.82359 1750.0000 -79.86957 -76.00645 3.86312 2.38202 -75.30051 901.30682 FREEZING PROCESS: loop number 8 T-loop= 960.00000000000000 main_MD> interactions number 8 at Temperature= 960.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -5.10131 -2.45782 -3.26296 force_rgl> df(natom) 3.71337 -2.30252 -0.19489 1755.0000 -79.18188 -75.84229 3.33959 2.32459 -75.90321 869.41091 1760.0000 -78.59854 -75.52794 3.07060 2.34709 -75.66708 882.96925 1765.0000 -78.73400 -74.61188 4.12212 2.45928 -74.48968 914.12326 1770.0000 -78.06877 -74.44631 3.62246 2.50030 -74.05915 1036.82036 1775.0000 -78.54345 -74.59304 3.95041 2.47683 -74.30545 995.14663 1780.0000 -78.76367 -75.04614 3.71753 2.37552 -75.36874 910.62642 1785.0000 -78.48445 -74.72409 3.76036 2.38199 -75.30078 911.50179 1790.0000 -79.91317 -75.81832 4.09486 2.38855 -75.23197 937.71424 1795.0000 -79.10062 -74.94250 4.15812 2.39417 -75.17298 929.47161 1800.0000 -78.67778 -74.51668 4.16110 2.48838 -74.18425 956.17372 1805.0000 -77.61837 -73.97859 3.63979 2.45439 -74.54097 952.24926 1810.0000 -78.32688 -74.01436 4.31251 2.51224 -73.93385 1013.78356 1815.0000 -79.73005 -76.07911 3.65094 2.42537 -74.84556 931.77946 1820.0000 -77.78852 -72.73817 5.05035 2.47753 -74.29808 1027.79602 1825.0000 -78.14538 -73.46489 4.68050 2.57953 -73.22763 1102.06340 1830.0000 -77.10570 -72.74430 4.36140 2.57763 -73.24761 1048.66812 1835.0000 -77.68511 -73.53723 4.14787 2.55853 -73.44801 1044.20825 1840.0000 -79.02337 -73.81616 5.20720 2.47191 -74.35711 1005.30726 1845.0000 -78.33119 -73.84442 4.48677 2.52679 -73.78109 1058.16124 1850.0000 -78.40889 -72.97498 5.43391 2.53695 -73.67450 1059.79630 1855.0000 -79.04504 -74.11514 4.92990 2.55507 -73.48435 1072.39351 1860.0000 -78.17458 -73.79935 4.37523 2.52919 -73.75592 1082.19113 1865.0000 -78.33979 -73.56237 4.77743 2.49368 -74.12858 987.29948 1870.0000 -78.74643 -74.26090 4.48553 2.46964 -74.38092 939.88382 1875.0000 -78.80190 -74.11705 4.68485 2.49628 -74.10134 1003.24708 1880.0000 -80.09992 -75.85075 4.24917 2.34131 -75.72772 836.65251 1885.0000 -79.86086 -75.55997 4.30089 2.36463 -75.48304 911.00312 1890.0000 -78.98229 -74.98002 4.00228 2.34095 -75.73156 906.33081 1895.0000 -78.89868 -73.93359 4.96508 2.51826 -73.87065 1046.27218 1900.0000 -79.91493 -75.62037 4.29456 2.42752 -74.82293 919.79464 1905.0000 -77.90120 -73.86364 4.03755 2.44396 -74.65046 982.33880 1910.0000 -77.93362 -74.17767 3.75595 2.50919 -73.96587 1011.50129 1915.0000 -78.78727 -74.59489 4.19238 2.45927 -74.48978 959.42353 1920.0000 -78.19839 -73.60596 4.59242 2.47453 -74.32957 1027.30057 1925.0000 -78.85981 -73.65658 5.20323 2.54987 -73.53889 1068.07354 1930.0000 -76.44530 -72.09731 4.34799 2.57697 -73.25450 1111.99153 1935.0000 -76.20805 -71.93075 4.27730 2.70637 -71.89646 1131.14574 1940.0000 -78.33756 -72.56968 5.76788 2.71465 -71.80950 1151.56139 1945.0000 -78.36411 -73.78366 4.58045 2.59205 -73.09624 1065.22988 1950.0000 -78.91467 -74.65036 4.26431 2.45510 -74.53347 1022.81028 1955.0000 -79.83579 -75.79114 4.04465 2.38846 -75.23294 902.77950 1960.0000 -79.26982 -75.47737 3.79245 2.34371 -75.70258 893.00946 1965.0000 -79.94803 -75.51124 4.43678 2.36897 -75.43747 949.29022 1970.0000 -79.39778 -75.72801 3.66977 2.35396 -75.59501 886.19211 1975.0000 -78.71065 -75.48642 3.22423 2.37125 -75.41355 889.77070 1980.0000 -79.55935 -76.35219 3.20717 2.34736 -75.66429 813.08795 1985.0000 -80.12701 -76.44976 3.67725 2.28556 -76.31282 849.32910 1990.0000 -78.68405 -73.61084 5.07321 2.41847 -74.91798 972.32527 1995.0000 -77.84744 -72.63207 5.21537 2.57078 -73.31947 1112.70556 2000.0000 -77.16886 -72.60783 4.56103 2.64093 -72.58322 1138.43805 FREEZING PROCESS: loop number 9 T-loop= 935.00000000000000 main_MD> interactions number 9 at Temperature= 935.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.06494 -0.33016 -3.83608 force_rgl> df(natom) -1.02982 6.09384 -4.17896 2005.0000 -78.91058 -74.67368 4.23690 2.55737 -73.46020 988.18027 2010.0000 -78.29268 -74.05200 4.24068 2.47383 -74.33698 977.92766 2015.0000 -78.06515 -73.83236 4.23279 2.53980 -73.64455 1000.69218 2020.0000 -78.50884 -74.10920 4.39964 2.54068 -73.63536 1043.92808 2025.0000 -77.53169 -73.90568 3.62601 2.55925 -73.44045 1030.78595 2030.0000 -77.83455 -73.46405 4.37050 2.54080 -73.63405 980.47831 2035.0000 -79.02793 -74.52927 4.49865 2.54908 -73.54716 1081.32129 2040.0000 -78.15575 -73.58983 4.56593 2.44530 -74.63632 1004.68135 2045.0000 -77.11948 -73.48376 3.63571 2.55118 -73.52516 1020.61516 2050.0000 -78.90708 -74.51184 4.39524 2.54101 -73.63185 1017.09712 2055.0000 -78.20511 -72.29738 5.90773 2.53879 -73.65519 1011.35828 2060.0000 -77.30235 -73.22266 4.07970 2.59207 -73.09598 1059.07491 2065.0000 -79.24055 -75.52861 3.71194 2.47626 -74.31148 949.84968 2070.0000 -78.78423 -74.28831 4.49591 2.39296 -75.18569 920.02453 2075.0000 -78.07666 -73.87802 4.19864 2.44364 -74.65376 948.34048 2080.0000 -78.80710 -73.21759 5.58952 2.56851 -73.34332 1074.98864 2085.0000 -78.68502 -74.54080 4.14422 2.48939 -74.17365 1025.13637 2090.0000 -80.12613 -75.58322 4.54291 2.35876 -75.54465 889.97694 2095.0000 -78.72958 -74.31016 4.41943 2.36941 -75.43286 876.73164 2100.0000 -79.15088 -74.08667 5.06421 2.48928 -74.17479 1014.83808 2105.0000 -78.31339 -73.63757 4.67582 2.57810 -73.24267 1066.51329 2110.0000 -77.95306 -72.41809 5.53497 2.64849 -72.50389 1127.63222 2115.0000 -78.10667 -73.96278 4.14389 2.52932 -73.75457 1053.69097 2120.0000 -78.86132 -73.47531 5.38601 2.52876 -73.76050 1047.40484 2125.0000 -79.46184 -75.58457 3.87726 2.45882 -74.49451 967.27285 2130.0000 -79.74560 -75.54861 4.19700 2.37340 -75.39093 874.90840 2135.0000 -79.88378 -74.90942 4.97436 2.41740 -74.92916 930.83921 2140.0000 -79.31345 -73.99630 5.31715 2.45400 -74.54506 983.18944 2145.0000 -77.39051 -73.96799 3.42252 2.52409 -73.80944 1033.16564 2150.0000 -78.98300 -73.87475 5.10825 2.54402 -73.60026 1034.96504 2155.0000 -78.18405 -72.93250 5.25156 2.53707 -73.67325 1091.05103 2160.0000 -78.88335 -74.21393 4.66942 2.59728 -73.04131 1081.34972 2165.0000 -78.72602 -74.36614 4.35988 2.45663 -74.51747 954.76203 2170.0000 -79.31697 -75.56588 3.75110 2.39559 -75.15810 932.52933 2175.0000 -80.16435 -76.18043 3.98392 2.32086 -75.94237 866.74437 2180.0000 -79.18754 -75.10459 4.08295 2.33394 -75.80508 883.59022 2185.0000 -79.89038 -75.78811 4.10228 2.37503 -75.37384 917.19923 2190.0000 -78.82101 -75.22653 3.59448 2.40014 -75.11036 926.58990 2195.0000 -79.38969 -75.44853 3.94116 2.39705 -75.14280 929.42304 2200.0000 -79.99713 -75.13327 4.86387 2.37967 -75.32518 946.47848 2205.0000 -79.07882 -74.08202 4.99679 2.43840 -74.70883 1042.88670 2210.0000 -79.54012 -75.85226 3.68785 2.37778 -75.34501 892.08100 2215.0000 -78.77829 -74.75727 4.02102 2.40259 -75.08463 943.18564 2220.0000 -78.67846 -73.30512 5.37334 2.43110 -74.78541 914.01422 2225.0000 -78.72115 -74.85067 3.87048 2.58361 -73.18480 1097.73187 2230.0000 -79.42543 -75.24465 4.18078 2.37953 -75.32662 932.00036 2235.0000 -80.10083 -75.66389 4.43693 2.38473 -75.27209 920.89563 2240.0000 -79.23171 -75.32623 3.90548 2.35584 -75.57528 876.07073 2245.0000 -79.75571 -76.42049 3.33522 2.27157 -76.45973 779.99268 2250.0000 -79.97005 -76.41800 3.55205 2.25991 -76.58208 749.65635 FREEZING PROCESS: loop number 10 T-loop= 910.00000000000000 main_MD> interactions number 10 at Temperature= 910.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.12973 -5.73715 0.15358 force_rgl> df(natom) 1.34567 -0.76837 2.07193 2255.0000 -80.05446 -75.92186 4.13259 2.33445 -75.79970 878.26909 2260.0000 -79.14544 -75.70746 3.43797 2.40321 -75.07806 925.44086 2265.0000 -79.78271 -75.47223 4.31048 2.36461 -75.48318 890.74884 2270.0000 -79.25392 -74.75935 4.49458 2.43144 -74.78180 996.33612 2275.0000 -78.63202 -74.92892 3.70310 2.42495 -74.84990 942.62913 2280.0000 -77.96555 -72.50770 5.45785 2.41361 -74.96896 943.23919 2285.0000 -79.37104 -74.33266 5.03839 2.57672 -73.25713 1178.36473 2290.0000 -79.09701 -74.90595 4.19106 2.44057 -74.68604 987.67853 2295.0000 -79.44109 -74.84918 4.59192 2.41010 -75.00577 947.01238 2300.0000 -79.08788 -75.05094 4.03694 2.39505 -75.16372 924.27691 2305.0000 -80.16226 -76.98151 3.18074 2.32472 -75.90186 883.80366 2310.0000 -79.25362 -74.99870 4.25492 2.35054 -75.63092 871.39970 2315.0000 -79.44845 -74.44512 5.00333 2.46566 -74.42268 954.63055 2320.0000 -79.76531 -74.71129 5.05402 2.46887 -74.38901 975.64765 2325.0000 -79.41154 -76.10857 3.30297 2.36440 -75.48546 893.73895 2330.0000 -80.16996 -76.21013 3.95983 2.23623 -76.83060 828.98577 2335.0000 -80.27661 -76.56193 3.71467 2.27698 -76.40288 862.81546 2340.0000 -80.28430 -76.21342 4.07088 2.27303 -76.44440 821.19417 2345.0000 -79.38793 -75.73637 3.65156 2.29140 -76.25154 842.75996 2350.0000 -78.79839 -75.49749 3.30090 2.31139 -76.04174 882.59079 2355.0000 -80.74110 -76.70406 4.03704 2.29921 -76.16955 843.69713 2360.0000 -80.63035 -76.22797 4.40238 2.25303 -76.65426 786.09382 2365.0000 -79.13669 -75.01666 4.12003 2.32955 -75.85116 826.96565 2370.0000 -80.21043 -76.71943 3.49100 2.33128 -75.83305 862.95472 2375.0000 -80.05986 -76.87474 3.18513 2.27361 -76.43825 840.12593 2380.0000 -79.20377 -75.50496 3.69881 2.29254 -76.23958 807.17244 2385.0000 -80.13186 -76.12289 4.00897 2.33664 -75.77680 877.92949 2390.0000 -79.89046 -74.93909 4.95137 2.32963 -75.85030 857.92540 2395.0000 -79.83903 -76.10433 3.73470 2.39016 -75.21507 911.25503 2400.0000 -79.28626 -75.54045 3.74582 2.29366 -76.22789 867.31531 2405.0000 -78.25756 -74.92747 3.33009 2.36254 -75.50498 920.85747 2410.0000 -79.48813 -74.42482 5.06332 2.46485 -74.43115 961.33376 2415.0000 -77.04289 -71.94240 5.10049 2.61061 -72.90140 1060.11753 2420.0000 -78.36874 -74.74494 3.62380 2.58413 -73.17935 1083.94795 2425.0000 -80.48449 -76.16849 4.31600 2.35852 -75.54714 883.65313 2430.0000 -80.11986 -76.23356 3.88629 2.33297 -75.81530 884.72434 2435.0000 -78.97334 -75.69491 3.27843 2.31244 -76.03079 834.74468 2440.0000 -79.89946 -75.11896 4.78050 2.38754 -75.24262 924.40656 2445.0000 -78.75787 -74.65487 4.10301 2.39741 -75.13897 944.46070 2450.0000 -79.38572 -75.03951 4.34620 2.41575 -74.94647 954.57910 2455.0000 -79.06304 -74.87199 4.19105 2.43367 -74.75838 989.75542 2460.0000 -79.13058 -74.98131 4.14927 2.41582 -74.94579 955.87101 2465.0000 -79.26249 -75.40246 3.86003 2.38971 -75.21979 922.76443 2470.0000 -80.37442 -76.67623 3.69819 2.32131 -75.93765 879.99914 2475.0000 -79.13946 -74.69550 4.44396 2.31332 -76.02146 884.28702 2480.0000 -79.42079 -75.30939 4.11140 2.41444 -74.96029 974.11191 2485.0000 -79.81086 -75.84397 3.96689 2.41596 -74.94433 960.86251 2490.0000 -80.10823 -76.59124 3.51699 2.29705 -76.19227 845.45644 2495.0000 -78.37985 -74.41279 3.96706 2.36209 -75.50963 913.79938 2500.0000 -79.62327 -75.30743 4.31584 2.40501 -75.05925 942.56622 FREEZING PROCESS: loop number 11 T-loop= 885.00000000000000 main_MD> interactions number 11 at Temperature= 885.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.99768 -2.24617 -1.87081 force_rgl> df(natom) 2.76615 -0.38696 -1.35149 2505.0000 -80.66712 -76.91547 3.75165 2.33690 -75.77403 835.73224 2510.0000 -79.95309 -76.09268 3.86041 2.29190 -76.24632 845.33923 2515.0000 -80.87534 -77.27020 3.60514 2.23657 -76.82702 794.73829 2520.0000 -78.83622 -75.53262 3.30361 2.27912 -76.38046 826.84423 2525.0000 -78.59412 -74.28189 4.31223 2.39270 -75.18836 913.93810 2530.0000 -79.24356 -75.68374 3.55982 2.36392 -75.49045 897.60833 2535.0000 -78.22566 -74.56974 3.65592 2.40203 -75.09051 904.30046 2540.0000 -79.35971 -75.21873 4.14099 2.45462 -74.53854 932.95246 2545.0000 -78.56843 -74.41402 4.15440 2.39201 -75.19567 909.49599 2550.0000 -78.04688 -73.69671 4.35016 2.50551 -74.00443 962.06787 2555.0000 -78.56020 -74.24506 4.31515 2.51969 -73.85562 954.62275 2560.0000 -77.61523 -73.68023 3.93500 2.50325 -74.02820 1003.53499 2565.0000 -78.65734 -73.97882 4.67851 2.48284 -74.24243 1008.22957 2570.0000 -77.37415 -73.24044 4.13370 2.54858 -73.55242 1002.15737 2575.0000 -78.82491 -75.19990 3.62501 2.46940 -74.38346 946.40196 2580.0000 -77.77068 -74.18865 3.58203 2.47887 -74.28403 993.42193 2585.0000 -79.36500 -75.71413 3.65087 2.39022 -75.21449 882.76370 2590.0000 -79.80380 -75.15908 4.64471 2.42739 -74.82435 953.49478 2595.0000 -79.90245 -76.06600 3.83645 2.41051 -75.00154 1008.96769 2600.0000 -79.63426 -76.02923 3.60503 2.24051 -76.78569 766.69403 2605.0000 -80.41961 -76.59784 3.82177 2.27156 -76.45974 804.06202 2610.0000 -79.39027 -76.10940 3.28087 2.30655 -76.09254 820.25456 2615.0000 -81.14215 -77.54687 3.59528 2.23017 -76.89419 786.06838 2620.0000 -80.69216 -77.78288 2.90928 2.17956 -77.42532 743.43267 2625.0000 -80.14757 -77.33467 2.81290 2.16426 -77.58596 771.27974 2630.0000 -79.92859 -76.23215 3.69644 2.30315 -76.12829 850.34709 2635.0000 -79.27273 -75.59737 3.67536 2.29052 -76.26083 822.87930 2640.0000 -80.08850 -75.77285 4.31565 2.33425 -75.80183 869.18777 2645.0000 -78.74404 -75.34554 3.39850 2.36964 -75.43038 919.45614 2650.0000 -79.81766 -76.66883 3.14883 2.31946 -75.95707 893.48322 2655.0000 -80.16250 -76.83116 3.33134 2.25027 -76.68318 795.85316 2660.0000 -79.80587 -76.22203 3.58384 2.27318 -76.44275 772.50054 2665.0000 -79.49906 -75.63680 3.86227 2.31251 -76.03003 878.53266 2670.0000 -79.52968 -75.31991 4.20977 2.34898 -75.64731 915.78801 2675.0000 -79.77188 -75.71161 4.06027 2.34233 -75.71703 838.43533 2680.0000 -79.13112 -75.21177 3.91934 2.29462 -76.21777 819.21567 2685.0000 -79.32076 -76.58351 2.73725 2.31157 -76.03986 859.61609 2690.0000 -79.32046 -75.77830 3.54216 2.27885 -76.38326 834.78078 2695.0000 -79.73314 -75.90328 3.82986 2.29632 -76.19992 844.49186 2700.0000 -78.06979 -74.64401 3.42578 2.44165 -74.67468 940.66548 2705.0000 -79.04503 -74.97931 4.06572 2.44635 -74.62538 962.55764 2710.0000 -79.90900 -76.47951 3.42949 2.39328 -75.18235 879.23491 2715.0000 -79.56229 -75.41200 4.15029 2.33951 -75.74665 893.41770 2720.0000 -79.55783 -75.53743 4.02040 2.38933 -75.22376 934.49923 2725.0000 -80.08674 -76.83716 3.24959 2.29572 -76.20623 794.71387 2730.0000 -79.27440 -75.33344 3.94096 2.28194 -76.35083 813.16329 2735.0000 -78.90946 -74.41123 4.49822 2.42943 -74.80292 929.95447 2740.0000 -79.12425 -75.00766 4.11660 2.31270 -76.02802 864.66554 2745.0000 -79.46425 -75.85223 3.61202 2.36564 -75.47239 843.17078 2750.0000 -79.50288 -75.33735 4.16554 2.33928 -75.74904 839.94960 FREEZING PROCESS: loop number 12 T-loop= 860.00000000000000 main_MD> interactions number 12 at Temperature= 860.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 4.16527 -2.46711 1.42838 force_rgl> df(natom) 2.41073 1.62001 -1.71208 2755.0000 -77.87932 -73.63107 4.24825 2.44496 -74.63995 954.40418 2760.0000 -78.75095 -74.65737 4.09358 2.44793 -74.60875 959.09806 2765.0000 -78.60737 -75.30294 3.30443 2.43398 -74.75518 947.38930 2770.0000 -79.66001 -75.66373 3.99628 2.36302 -75.49992 865.61010 2775.0000 -78.21778 -74.24512 3.97267 2.39039 -75.21268 902.77055 2780.0000 -78.24838 -73.45693 4.79145 2.51065 -73.95053 984.09942 2785.0000 -79.31618 -75.27794 4.03824 2.43173 -74.77883 937.68715 2790.0000 -80.16000 -76.59368 3.56632 2.28944 -76.27211 844.02155 2795.0000 -79.50126 -76.06404 3.43723 2.26112 -76.56931 829.34491 2800.0000 -79.08841 -75.92075 3.16766 2.31741 -75.97860 836.28077 2805.0000 -79.90353 -75.45273 4.45080 2.30620 -76.09622 784.92973 2810.0000 -79.94930 -76.48958 3.45972 2.28503 -76.31843 832.77995 2815.0000 -78.67626 -74.95515 3.72111 2.37316 -75.39344 882.08426 2820.0000 -79.86614 -75.40481 4.46133 2.38551 -75.26392 958.25378 2825.0000 -80.27670 -75.92148 4.35521 2.30509 -76.10784 807.92772 2830.0000 -80.36628 -77.58352 2.78276 2.24180 -76.77211 782.54094 2835.0000 -80.29619 -75.90463 4.39156 2.26613 -76.51675 769.34797 2840.0000 -78.93962 -75.83375 3.10587 2.27842 -76.38775 815.64695 2845.0000 -80.16925 -76.97902 3.19022 2.28801 -76.28715 840.61314 2850.0000 -80.70519 -76.85022 3.85497 2.25311 -76.65340 801.49109 2855.0000 -78.81553 -74.82791 3.98762 2.31466 -76.00750 868.84401 2860.0000 -78.88679 -74.46269 4.42410 2.44409 -74.64905 941.22588 2865.0000 -78.21014 -74.04490 4.16524 2.42182 -74.88276 917.06636 2870.0000 -79.40552 -75.85602 3.54949 2.42875 -74.81003 884.77942 2875.0000 -79.97479 -76.61216 3.36263 2.31519 -76.00190 837.02824 2880.0000 -79.96327 -75.76450 4.19877 2.30348 -76.12475 833.93849 2885.0000 -79.29502 -75.42440 3.87062 2.33153 -75.83041 839.12939 2890.0000 -79.74175 -75.64139 4.10036 2.36014 -75.53015 909.03909 2895.0000 -79.52244 -75.65055 3.87189 2.33763 -75.76634 857.99591 2900.0000 -79.90296 -76.25070 3.65226 2.36000 -75.53165 885.78403 2905.0000 -80.25737 -77.47511 2.78227 2.22453 -76.95336 779.23180 2910.0000 -80.75966 -77.64004 3.11962 2.17361 -77.48783 753.03756 2915.0000 -80.48754 -76.27386 4.21368 2.27955 -76.37594 810.23628 2920.0000 -80.87182 -77.07919 3.79263 2.21978 -77.00327 784.60447 2925.0000 -80.29121 -77.13136 3.15985 2.23090 -76.88655 761.41834 2930.0000 -79.38647 -76.46739 2.91907 2.31264 -76.02863 857.71505 2935.0000 -80.15346 -76.01337 4.14009 2.32167 -75.93391 835.29380 2940.0000 -79.88390 -76.04796 3.83594 2.30762 -76.08134 881.37700 2945.0000 -80.26496 -77.08610 3.17886 2.27659 -76.40703 831.09640 2950.0000 -79.93053 -76.52145 3.40909 2.25079 -76.67773 819.69428 2955.0000 -80.47967 -77.74375 2.73592 2.17807 -77.44096 750.78194 2960.0000 -80.22046 -76.97796 3.24249 2.21103 -77.09509 751.17716 2965.0000 -79.34365 -74.79696 4.54669 2.29419 -76.22223 864.49022 2970.0000 -78.74762 -74.91608 3.83154 2.47908 -74.28181 983.13226 2975.0000 -79.78990 -76.51515 3.27475 2.31439 -76.01032 843.32752 2980.0000 -80.73704 -76.47817 4.25887 2.24661 -76.72163 823.59661 2985.0000 -79.43940 -76.00867 3.43073 2.26838 -76.49318 817.27847 2990.0000 -80.18788 -76.45873 3.72914 2.34886 -75.64850 867.15330 2995.0000 -79.73410 -75.84930 3.88480 2.29329 -76.23170 881.65937 3000.0000 -80.29753 -76.76622 3.53131 2.32844 -75.86285 878.25365 FREEZING PROCESS: loop number 13 T-loop= 835.00000000000000 main_MD> interactions number 13 at Temperature= 835.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.08473 -0.82272 -2.37254 force_rgl> df(natom) -1.83140 2.03420 -1.28592 3005.0000 -79.38583 -76.65585 2.72998 2.24329 -76.75651 752.50352 3010.0000 -80.09898 -76.43109 3.66789 2.30980 -76.05846 845.54377 3015.0000 -79.32639 -75.81441 3.51198 2.37831 -75.33943 926.58629 3020.0000 -79.39967 -75.59968 3.79999 2.31448 -76.00930 837.82209 3025.0000 -79.07864 -75.21021 3.86843 2.33176 -75.82802 863.31233 3030.0000 -79.19374 -76.07223 3.12151 2.35964 -75.53536 924.14372 3035.0000 -79.87119 -77.03551 2.83567 2.26785 -76.49867 840.57002 3040.0000 -80.06633 -76.70209 3.36424 2.23956 -76.79562 801.07934 3045.0000 -80.69020 -78.02595 2.66425 2.15385 -77.69513 698.80859 3050.0000 -81.93029 -78.20215 3.72814 2.07921 -78.47853 672.85031 3055.0000 -80.53378 -77.51202 3.02177 2.11768 -78.07480 710.13712 3060.0000 -79.60733 -76.33036 3.27698 2.23377 -76.85644 786.78912 3065.0000 -80.22064 -76.80630 3.41435 2.27577 -76.41561 833.16331 3070.0000 -80.20713 -76.45878 3.74835 2.27896 -76.38207 811.82410 3075.0000 -79.61784 -76.68312 2.93473 2.25886 -76.59304 762.52312 3080.0000 -80.03973 -76.66239 3.37734 2.24774 -76.70975 793.24365 3085.0000 -79.45887 -76.02966 3.42921 2.28571 -76.31124 824.67087 3090.0000 -80.20389 -76.99701 3.20688 2.25439 -76.63996 820.48385 3095.0000 -79.62176 -75.76590 3.85586 2.26794 -76.49776 871.96056 3100.0000 -79.57853 -75.26375 4.31478 2.35228 -75.61257 880.86634 3105.0000 -80.25041 -76.35089 3.89952 2.31205 -76.03479 858.09218 3110.0000 -81.09686 -77.80870 3.28817 2.19616 -77.25107 768.53968 3115.0000 -80.36513 -76.33082 4.03431 2.20961 -77.11000 793.35216 3120.0000 -78.92848 -75.62288 3.30560 2.34342 -75.70564 913.62731 3125.0000 -80.01205 -76.43257 3.57947 2.29874 -76.17456 803.44014 3130.0000 -79.53512 -75.56618 3.96894 2.36208 -75.50973 905.18026 3135.0000 -78.99391 -75.62028 3.37362 2.33422 -75.80220 855.49379 3140.0000 -78.78006 -74.75295 4.02712 2.42553 -74.84385 909.91402 3145.0000 -78.54642 -74.88644 3.65998 2.44814 -74.60660 948.83564 3150.0000 -79.54746 -75.26823 4.27923 2.44409 -74.64908 910.06368 3155.0000 -81.01267 -76.93122 4.08146 2.26847 -76.49226 826.91273 3160.0000 -79.67119 -75.93953 3.73165 2.28949 -76.27165 847.75821 3165.0000 -79.98227 -76.39701 3.58525 2.31961 -75.95549 888.30185 3170.0000 -80.18868 -76.21742 3.97126 2.24742 -76.71315 808.44897 3175.0000 -80.16599 -75.65747 4.50853 2.33313 -75.81361 901.03349 3180.0000 -80.15502 -76.80236 3.35267 2.24913 -76.69523 787.92110 3185.0000 -79.13881 -76.25083 2.88798 2.28207 -76.34946 812.51758 3190.0000 -80.22673 -76.91711 3.30962 2.27811 -76.39103 807.02516 3195.0000 -80.49661 -76.69241 3.80420 2.19232 -77.29146 779.16602 3200.0000 -80.89722 -77.03423 3.86299 2.28478 -76.32108 844.54924 3205.0000 -79.56011 -75.95597 3.60414 2.30464 -76.11262 829.17600 3210.0000 -79.75262 -76.26436 3.48827 2.31536 -76.00011 838.53724 3215.0000 -80.07563 -76.97926 3.09637 2.24726 -76.71486 820.73773 3220.0000 -79.10789 -75.72704 3.38086 2.26931 -76.48337 794.52866 3225.0000 -79.62668 -75.90306 3.72362 2.32232 -75.92703 877.42036 3230.0000 -80.85993 -76.98520 3.87472 2.27988 -76.37248 818.49908 3235.0000 -79.44286 -75.64631 3.79654 2.29843 -76.17773 843.28484 3240.0000 -80.21666 -76.60725 3.60941 2.28815 -76.28564 858.42009 3245.0000 -80.77449 -76.68666 4.08783 2.23799 -76.81209 803.47345 3250.0000 -81.44954 -78.36043 3.08911 2.17896 -77.43162 754.92808 FREEZING PROCESS: loop number 14 T-loop= 810.00000000000000 main_MD> interactions number 14 at Temperature= 810.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.39793 -2.56313 0.87182 force_rgl> df(natom) -0.47695 2.58825 4.12296 3255.0000 -80.90820 -77.67414 3.23406 2.15990 -77.63163 739.06082 3260.0000 -80.80941 -77.65639 3.15302 2.24102 -76.78027 800.13313 3265.0000 -80.63234 -76.68512 3.94722 2.25824 -76.59955 789.56400 3270.0000 -79.61175 -75.75161 3.86014 2.35031 -75.63325 810.65411 3275.0000 -80.07361 -76.63790 3.43572 2.28818 -76.28540 817.17984 3280.0000 -80.71523 -76.39323 4.32200 2.21997 -77.00122 768.18962 3285.0000 -79.14399 -75.25379 3.89020 2.34827 -75.65466 894.90856 3290.0000 -80.11311 -76.01929 4.09382 2.36438 -75.48562 852.93434 3295.0000 -79.85779 -76.47249 3.38530 2.28091 -76.36165 797.59298 3300.0000 -80.09295 -76.76633 3.32662 2.22289 -76.97056 776.13038 3305.0000 -80.37909 -77.00411 3.37498 2.26153 -76.56508 789.48154 3310.0000 -79.35920 -76.07029 3.28891 2.24807 -76.70627 800.16973 3315.0000 -79.59864 -75.55025 4.04839 2.30655 -76.09255 863.22552 3320.0000 -78.95257 -75.66047 3.29210 2.34917 -75.64526 907.65012 3325.0000 -78.97779 -75.02341 3.95438 2.42480 -74.85156 906.84516 3330.0000 -78.97969 -74.89031 4.08939 2.37641 -75.35936 923.38606 3335.0000 -80.04518 -76.80839 3.23679 2.34745 -75.66331 874.10807 3340.0000 -80.88302 -78.17580 2.70723 2.23173 -76.87785 810.98873 3345.0000 -80.48275 -77.06701 3.41574 2.20503 -77.15800 771.42073 3350.0000 -81.19613 -77.92951 3.26661 2.16197 -77.60993 724.71657 3355.0000 -80.41550 -76.83290 3.58261 2.15469 -77.68640 724.92585 3360.0000 -80.90800 -77.44913 3.45887 2.22748 -76.92244 787.56345 3365.0000 -80.58615 -77.11907 3.46709 2.14585 -77.77916 710.00249 3370.0000 -78.84311 -74.69355 4.14957 2.32281 -75.92190 866.71390 3375.0000 -79.79174 -76.03976 3.75198 2.34698 -75.66827 897.33317 3380.0000 -79.89658 -75.86930 4.02728 2.31394 -76.01495 821.84874 3385.0000 -79.32713 -75.43820 3.88893 2.37111 -75.41495 895.52935 3390.0000 -79.15035 -75.74956 3.40079 2.33992 -75.74236 906.07961 3395.0000 -80.36514 -77.24119 3.12395 2.24825 -76.70447 836.67858 3400.0000 -80.29283 -76.33001 3.96282 2.28027 -76.36841 848.58057 3405.0000 -79.51819 -75.97307 3.54512 2.33545 -75.78921 870.21181 3410.0000 -80.85530 -76.72808 4.12722 2.29376 -76.22684 861.93782 3415.0000 -80.02571 -77.03360 2.99211 2.22666 -76.93097 761.15845 3420.0000 -80.95921 -78.33112 2.62809 2.10215 -78.23779 664.96878 3425.0000 -80.57922 -77.24509 3.33413 2.14890 -77.74714 677.29281 3430.0000 -81.23942 -77.95820 3.28122 2.20027 -77.20801 735.75318 3435.0000 -80.32837 -76.58163 3.74673 2.19645 -77.24809 781.00511 3440.0000 -80.59332 -77.48764 3.10568 2.18898 -77.32647 745.62828 3445.0000 -79.45772 -75.90497 3.55275 2.25566 -76.62669 811.57912 3450.0000 -80.51742 -77.02897 3.48845 2.25012 -76.68485 785.04127 3455.0000 -80.54461 -76.73871 3.80590 2.26807 -76.49640 804.78093 3460.0000 -80.54073 -77.01859 3.52214 2.22547 -76.94347 799.29847 3465.0000 -82.02119 -78.25159 3.76960 2.13094 -77.93555 707.35470 3470.0000 -79.46451 -76.53493 2.92957 2.21961 -77.00502 767.02466 3475.0000 -80.87693 -77.61703 3.25989 2.23874 -76.80426 812.61881 3480.0000 -81.31212 -78.46656 2.84556 2.12451 -78.00311 697.20130 3485.0000 -81.38648 -78.54652 2.83996 2.12864 -77.95977 705.83884 3490.0000 -80.40529 -77.59033 2.81496 2.10876 -78.16842 715.29011 3495.0000 -80.89784 -77.03909 3.85874 2.19935 -77.21763 771.08428 3500.0000 -80.63277 -76.63504 3.99773 2.26152 -76.56513 782.72195 FREEZING PROCESS: loop number 15 T-loop= 785.00000000000000 main_MD> interactions number 15 at Temperature= 785.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.50742 0.73129 -2.19450 force_rgl> df(natom) -2.64248 -0.77074 1.33596 3505.0000 -80.89935 -77.28667 3.61268 2.27308 -76.44382 864.42152 3510.0000 -80.45984 -76.55690 3.90294 2.21025 -77.10324 765.14346 3515.0000 -80.28260 -76.87645 3.40615 2.25413 -76.64273 797.88866 3520.0000 -80.22143 -75.76491 4.45652 2.33121 -75.83374 854.99745 3525.0000 -79.67356 -76.41103 3.26254 2.31951 -75.95653 869.34691 3530.0000 -80.25339 -76.55750 3.69589 2.28657 -76.30226 833.34326 3535.0000 -80.02877 -76.36839 3.66038 2.29314 -76.23329 807.51473 3540.0000 -79.71732 -76.24614 3.47118 2.23881 -76.80354 748.92946 3545.0000 -80.40810 -77.13737 3.27073 2.25275 -76.65725 775.46593 3550.0000 -80.72099 -78.19286 2.52813 2.18210 -77.39865 761.22373 3555.0000 -80.88237 -78.21507 2.66730 2.13073 -77.93779 682.24721 3560.0000 -80.90481 -78.11518 2.78964 2.11553 -78.09738 686.67247 3565.0000 -80.90599 -77.65041 3.25558 2.16647 -77.56272 781.21251 3570.0000 -80.51728 -76.74413 3.77315 2.18134 -77.40662 710.89925 3575.0000 -80.19035 -77.11338 3.07697 2.24293 -76.76029 762.24372 3580.0000 -80.46868 -77.79550 2.67317 2.18864 -77.33000 725.99363 3585.0000 -81.20243 -77.44436 3.75807 2.16887 -77.53755 721.84713 3590.0000 -80.12578 -77.08479 3.04099 2.12833 -77.96302 712.85595 3595.0000 -80.54928 -77.00385 3.54543 2.18552 -77.36275 767.09383 3600.0000 -80.02765 -77.27449 2.75317 2.17649 -77.45758 742.44431 3605.0000 -79.93216 -77.00449 2.92767 2.17516 -77.47151 736.09849 3610.0000 -79.82178 -77.21478 2.60700 2.22311 -76.96832 788.34429 3615.0000 -80.65761 -77.29262 3.36499 2.21076 -77.09793 769.13122 3620.0000 -79.91329 -75.64414 4.26916 2.21198 -77.08508 784.61997 3625.0000 -79.82062 -75.45974 4.36088 2.32430 -75.90632 897.00318 3630.0000 -79.41998 -75.55982 3.86016 2.36536 -75.47540 851.17501 3635.0000 -79.09538 -75.44120 3.65418 2.33256 -75.81962 828.13723 3640.0000 -80.66459 -76.81373 3.85086 2.29997 -76.16167 805.75690 3645.0000 -79.63962 -76.84427 2.79535 2.24693 -76.71825 774.81934 3650.0000 -81.09700 -77.99630 3.10070 2.23996 -76.79139 802.07451 3655.0000 -80.84096 -77.35305 3.48791 2.12502 -77.99778 703.64836 3660.0000 -80.61240 -76.86596 3.74644 2.21107 -77.09466 794.95040 3665.0000 -81.48056 -78.07932 3.40124 2.15802 -77.65135 726.46687 3670.0000 -81.62738 -78.10483 3.52255 2.11097 -78.14522 683.30580 3675.0000 -80.14105 -77.20573 2.93532 2.17483 -77.47501 720.25107 3680.0000 -81.32635 -77.86822 3.45813 2.18848 -77.33174 726.56941 3685.0000 -81.58480 -77.71913 3.86567 2.19309 -77.28332 766.88802 3690.0000 -80.89116 -77.41930 3.47186 2.10470 -78.21097 694.71279 3695.0000 -80.82316 -77.88118 2.94198 2.16320 -77.59702 744.54211 3700.0000 -81.12871 -77.97076 3.15795 2.19181 -77.29677 746.04745 3705.0000 -81.09657 -77.69771 3.39886 2.15664 -77.66588 716.46360 3710.0000 -79.72577 -75.32179 4.40398 2.31959 -75.95575 870.41021 3715.0000 -79.06404 -75.05980 4.00424 2.39964 -75.11557 939.16799 3720.0000 -79.56002 -75.45966 4.10037 2.37509 -75.37322 881.86230 3725.0000 -80.29531 -76.38418 3.91113 2.31114 -76.04439 873.25010 3730.0000 -80.94298 -76.17417 4.76881 2.29374 -76.22701 845.18497 3735.0000 -80.26663 -77.05919 3.20743 2.21290 -77.07544 775.42634 3740.0000 -80.02039 -76.54152 3.47887 2.24692 -76.71837 789.14808 3745.0000 -80.33438 -76.65536 3.67902 2.28573 -76.31111 823.50943 3750.0000 -80.38969 -77.03104 3.35865 2.18743 -77.34276 743.62731 FREEZING PROCESS: loop number 16 T-loop= 760.00000000000000 main_MD> interactions number 16 at Temperature= 760.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 2.38918 -0.26156 -0.23700 force_rgl> df(natom) -0.41985 1.35159 -3.06296 3755.0000 -80.08629 -76.34258 3.74371 2.20227 -77.18694 773.85099 3760.0000 -80.96182 -78.14017 2.82165 2.20923 -77.11398 769.75182 3765.0000 -80.62991 -77.69042 2.93948 2.11557 -78.09696 667.45699 3770.0000 -80.86591 -77.33685 3.52906 2.18135 -77.40654 714.51690 3775.0000 -81.09655 -77.83561 3.26094 2.19874 -77.22407 733.72265 3780.0000 -80.22085 -76.65606 3.56478 2.16939 -77.53205 752.35082 3785.0000 -80.45862 -77.57369 2.88493 2.20908 -77.11552 757.72438 3790.0000 -80.28410 -77.00847 3.27563 2.16828 -77.54372 730.04249 3795.0000 -80.78360 -78.23082 2.55278 2.17231 -77.50138 715.29105 3800.0000 -80.68136 -77.56428 3.11707 2.07657 -78.50618 633.79816 3805.0000 -79.49321 -76.34943 3.14378 2.25124 -76.67309 843.15156 3810.0000 -79.27343 -76.00890 3.26454 2.29206 -76.24459 839.61066 3815.0000 -80.58749 -77.53345 3.05404 2.23726 -76.81978 727.84484 3820.0000 -80.39418 -77.48613 2.90805 2.19506 -77.26265 712.25994 3825.0000 -80.91025 -77.28359 3.62666 2.19445 -77.26910 726.29978 3830.0000 -80.14331 -77.44328 2.70004 2.20388 -77.17009 723.35834 3835.0000 -80.26309 -76.99618 3.26691 2.18068 -77.41358 719.30878 3840.0000 -81.31249 -77.80912 3.50337 2.17393 -77.48437 715.10859 3845.0000 -80.80428 -77.55416 3.25012 2.17282 -77.49607 753.49721 3850.0000 -81.26512 -77.56394 3.70118 2.10946 -78.16103 686.81778 3855.0000 -80.86493 -78.28061 2.58432 2.17686 -77.45369 795.27653 3860.0000 -80.97997 -78.40681 2.57316 2.09972 -78.26331 697.53353 3865.0000 -80.57316 -77.72583 2.84733 2.14545 -77.78330 740.02346 3870.0000 -81.48853 -78.09646 3.39207 2.12517 -77.99612 676.97653 3875.0000 -81.24502 -77.68253 3.56249 2.15304 -77.70365 711.91671 3880.0000 -79.68103 -76.29742 3.38361 2.25364 -76.64788 796.54681 3885.0000 -79.83966 -75.63844 4.20122 2.29296 -76.23519 812.02910 3890.0000 -80.99572 -77.42309 3.57264 2.18166 -77.40325 736.85697 3895.0000 -80.83291 -78.02928 2.80363 2.13962 -77.84455 696.17778 3900.0000 -80.81690 -77.90741 2.90948 2.17755 -77.44642 764.18307 3905.0000 -80.54123 -77.37398 3.16726 2.11587 -78.09372 713.35368 3910.0000 -80.61628 -77.91475 2.70153 2.17769 -77.44491 748.38630 3915.0000 -81.20301 -77.78031 3.42270 2.16018 -77.62873 763.03367 3920.0000 -80.40994 -76.76960 3.64034 2.18660 -77.35142 745.88738 3925.0000 -81.99180 -78.67958 3.31222 2.09310 -78.33272 664.78423 3930.0000 -80.83042 -77.49963 3.33079 2.15688 -77.66334 750.78148 3935.0000 -80.83518 -77.03582 3.79936 2.20632 -77.14452 770.76593 3940.0000 -81.48502 -78.45014 3.03488 2.16046 -77.62580 767.46374 3945.0000 -80.84659 -78.28589 2.56070 2.09629 -78.29923 696.03963 3950.0000 -80.30570 -77.26079 3.04490 2.17027 -77.52283 709.11387 3955.0000 -81.28158 -78.39955 2.88203 2.12595 -77.98794 692.46448 3960.0000 -80.42205 -76.47175 3.95030 2.19799 -77.23192 766.54016 3965.0000 -80.51426 -77.37982 3.13445 2.24197 -76.77035 796.43181 3970.0000 -80.09393 -77.14259 2.95134 2.18820 -77.33464 744.07307 3975.0000 -80.62378 -76.61407 4.00970 2.23876 -76.80400 790.58718 3980.0000 -80.29173 -77.23123 3.06050 2.18538 -77.36421 757.46420 3985.0000 -80.48272 -76.67160 3.81112 2.16701 -77.55705 723.85232 3990.0000 -80.63850 -77.48694 3.15157 2.19995 -77.21132 745.25344 3995.0000 -80.69263 -76.95733 3.73531 2.19722 -77.24002 780.56212 4000.0000 -80.90783 -78.02754 2.88029 2.16896 -77.53654 734.64564 FREEZING PROCESS: loop number 17 T-loop= 735.00000000000000 main_MD> interactions number 17 at Temperature= 735.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.05678 0.90340 -1.01472 force_rgl> df(natom) -0.82500 1.25165 1.02364 4005.0000 -80.98311 -77.82427 3.15884 2.20118 -77.19838 797.64502 4010.0000 -80.72056 -77.34192 3.37864 2.13291 -77.91495 728.04167 4015.0000 -80.57679 -78.01976 2.55702 2.20699 -77.13749 779.51666 4020.0000 -80.81583 -78.02504 2.79079 2.13648 -77.87751 690.80307 4025.0000 -81.54583 -78.09096 3.45487 2.16326 -77.59638 750.82581 4030.0000 -79.90827 -76.93181 2.97646 2.18293 -77.38992 744.26291 4035.0000 -80.30698 -76.68975 3.61722 2.23210 -76.87388 770.34334 4040.0000 -80.07237 -76.83095 3.24142 2.20452 -77.16335 724.22936 4045.0000 -80.20702 -76.94058 3.26644 2.18677 -77.34964 766.26967 4050.0000 -79.32985 -76.06331 3.26654 2.22188 -76.98116 807.04209 4055.0000 -80.24534 -76.91722 3.32812 2.27522 -76.42139 862.76962 4060.0000 -80.23409 -77.88476 2.34933 2.20073 -77.20310 780.54860 4065.0000 -80.73141 -77.96532 2.76609 2.10203 -78.23897 673.61110 4070.0000 -79.56736 -76.54510 3.02226 2.13619 -77.88048 666.51919 4075.0000 -79.78035 -76.87913 2.90123 2.27180 -76.45726 809.16116 4080.0000 -79.51242 -76.53636 2.97606 2.23420 -76.85186 786.97584 4085.0000 -80.54420 -77.62548 2.91872 2.25153 -76.66998 781.89295 4090.0000 -81.21386 -78.15682 3.05704 2.14228 -77.81655 687.80168 4095.0000 -80.92944 -77.47618 3.45325 2.12632 -77.98405 696.76875 4100.0000 -80.69470 -77.67572 3.01897 2.20696 -77.13774 764.52912 4105.0000 -80.53847 -77.19194 3.34654 2.21487 -77.05475 784.78171 4110.0000 -80.31133 -76.52523 3.78610 2.24093 -76.78121 805.67057 4115.0000 -79.10663 -75.10724 3.99939 2.31436 -76.01055 858.59041 4120.0000 -79.86825 -74.67756 5.19069 2.41611 -74.94271 911.53566 4125.0000 -80.26466 -77.15671 3.10795 2.33591 -75.78441 890.83209 4130.0000 -80.47620 -76.95651 3.51970 2.20865 -77.12003 749.17690 4135.0000 -80.19930 -76.80510 3.39420 2.20911 -77.11518 748.83112 4140.0000 -80.33337 -76.92126 3.41212 2.24674 -76.72024 806.33957 4145.0000 -80.24716 -77.51063 2.73654 2.22487 -76.94980 778.50038 4150.0000 -80.65038 -77.82818 2.82220 2.16266 -77.60269 694.84296 4155.0000 -81.19671 -77.53200 3.66471 2.18245 -77.39497 747.44940 4160.0000 -80.38142 -77.10452 3.27690 2.23545 -76.83878 760.18501 4165.0000 -79.75069 -77.27863 2.47206 2.19872 -77.22420 764.80853 4170.0000 -81.57840 -78.15780 3.42060 2.16312 -77.59783 726.73058 4175.0000 -80.90993 -77.52363 3.38630 2.10918 -78.16394 677.05077 4180.0000 -80.83528 -76.83067 4.00461 2.19625 -77.25021 735.57881 4185.0000 -81.23796 -77.84430 3.39366 2.21634 -77.03934 799.25257 4190.0000 -81.18102 -78.76192 2.41911 2.15183 -77.71641 712.04928 4195.0000 -81.57929 -78.35521 3.22408 2.07467 -78.52615 655.92438 4200.0000 -80.60420 -77.71457 2.88964 2.13192 -77.92535 710.95048 4205.0000 -81.07400 -78.13689 2.93710 2.12041 -78.04609 713.36885 4210.0000 -81.34857 -78.35648 2.99209 2.13813 -77.86016 703.43411 4215.0000 -79.79488 -76.77322 3.02165 2.10734 -78.18329 662.08152 4220.0000 -79.58795 -76.33507 3.25288 2.28723 -76.29532 809.25574 4225.0000 -81.47062 -78.45146 3.01916 2.22111 -76.98921 727.30883 4230.0000 -81.19951 -78.32093 2.87858 2.09159 -78.34863 635.85430 4235.0000 -81.58991 -78.14530 3.44462 2.15273 -77.70689 700.63054 4240.0000 -80.67459 -77.62654 3.04805 2.12270 -78.02210 718.04721 4245.0000 -80.30950 -77.32736 2.98214 2.16439 -77.58452 739.92137 4250.0000 -80.94087 -77.96748 2.97338 2.13503 -77.89267 684.64033 FREEZING PROCESS: loop number 18 T-loop= 710.00000000000000 main_MD> interactions number 18 at Temperature= 710.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.41409 -1.87774 -0.98675 force_rgl> df(natom) -1.51200 -4.31304 -3.54189 4255.0000 -80.00487 -77.19037 2.81451 2.19390 -77.27482 748.13650 4260.0000 -81.61083 -78.78088 2.82995 2.13227 -77.92162 656.04937 4265.0000 -81.42610 -77.97174 3.45436 2.12156 -78.03403 653.86795 4270.0000 -81.41256 -78.14377 3.26879 2.08209 -78.44828 650.70568 4275.0000 -81.24580 -78.26069 2.98511 2.10126 -78.24711 689.43376 4280.0000 -80.13867 -77.14333 2.99534 2.13231 -77.92125 685.70852 4285.0000 -79.97089 -77.27084 2.70005 2.22684 -76.92912 767.23896 4290.0000 -80.60267 -77.91699 2.68569 2.18478 -77.37052 750.49432 4295.0000 -81.53074 -78.39096 3.13979 2.10262 -78.23280 661.51902 4300.0000 -80.98597 -78.44917 2.53680 2.11915 -78.05939 669.69412 4305.0000 -81.37715 -78.36247 3.01469 2.05231 -78.76085 637.10464 4310.0000 -80.99544 -78.17821 2.81722 2.07634 -78.50868 660.12151 4315.0000 -82.21835 -79.42297 2.79538 2.02203 -79.07858 624.42930 4320.0000 -81.43607 -78.55388 2.88219 2.03209 -78.97308 630.16815 4325.0000 -80.93007 -78.36578 2.56429 2.06694 -78.60725 618.17398 4330.0000 -80.29031 -76.23719 4.05312 2.19342 -77.27988 777.79367 4335.0000 -81.03316 -77.22220 3.81096 2.22969 -76.89921 797.81460 4340.0000 -81.71964 -77.68832 4.03131 2.16777 -77.54908 724.60073 4345.0000 -81.65102 -77.85040 3.80062 2.16090 -77.62115 725.43238 4350.0000 -81.51220 -78.61030 2.90190 2.07951 -78.47541 653.87032 4355.0000 -82.12168 -79.06067 3.06101 2.12493 -77.99870 700.65244 4360.0000 -81.38826 -78.01830 3.36996 2.11483 -78.10470 708.62182 4365.0000 -81.34034 -77.89200 3.44834 2.13898 -77.85117 711.71132 4370.0000 -80.76382 -77.60403 3.15979 2.11434 -78.10978 681.96588 4375.0000 -82.04391 -79.16329 2.88062 2.08387 -78.42959 633.19410 4380.0000 -81.35396 -78.58900 2.76496 2.06958 -78.57960 641.56309 4385.0000 -81.18811 -78.45471 2.73341 2.06323 -78.64627 636.33842 4390.0000 -80.15028 -76.92101 3.22927 2.17520 -77.47113 715.51642 4395.0000 -80.39229 -76.55997 3.83232 2.24059 -76.78479 808.26978 4400.0000 -80.95959 -77.59339 3.36620 2.23300 -76.86443 820.87305 4405.0000 -81.08286 -78.10836 2.97450 2.15189 -77.71576 699.93878 4410.0000 -81.14268 -77.71419 3.42848 2.12647 -77.98253 671.86274 4415.0000 -80.72413 -77.51496 3.20917 2.10565 -78.20106 682.63492 4420.0000 -80.91560 -77.84033 3.07527 2.16687 -77.55857 760.46093 4425.0000 -81.28780 -78.37628 2.91152 2.14102 -77.82977 744.54374 4430.0000 -81.42925 -78.26476 3.16448 2.11499 -78.10298 706.20272 4435.0000 -80.87213 -78.39023 2.48191 2.11765 -78.07508 698.27214 4440.0000 -81.06690 -78.34700 2.71990 2.07689 -78.50286 635.67604 4445.0000 -81.55054 -78.09817 3.45238 2.10287 -78.23020 716.13776 4450.0000 -82.03177 -79.42098 2.61079 2.03483 -78.94431 626.57613 4455.0000 -81.18280 -78.11048 3.07232 2.07484 -78.52436 707.22054 4460.0000 -80.98084 -77.62528 3.35556 2.13774 -77.86425 726.26072 4465.0000 -82.22097 -79.29766 2.92331 2.07109 -78.56371 666.33907 4470.0000 -80.01229 -77.00887 3.00342 2.12240 -78.02522 705.92216 4475.0000 -80.27693 -76.85125 3.42568 2.19942 -77.21689 756.12422 4480.0000 -79.50188 -75.72068 3.78120 2.28298 -76.33997 808.45813 4485.0000 -80.03770 -77.12177 2.91593 2.23367 -76.85748 772.96958 4490.0000 -79.84647 -76.49207 3.35440 2.24246 -76.76524 773.37701 4495.0000 -79.15917 -75.98483 3.17434 2.30061 -76.15491 835.13133 4500.0000 -80.04837 -76.35919 3.68918 2.24713 -76.71620 824.32883 FREEZING PROCESS: loop number 19 T-loop= 685.00000000000000 main_MD> interactions number 19 at Temperature= 685.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.51640 -1.70418 -1.52145 force_rgl> df(natom) 0.58366 -0.33146 2.21880 4505.0000 -80.82400 -77.63709 3.18691 2.25437 -76.64018 783.86634 4510.0000 -80.87087 -78.21336 2.65751 2.18968 -77.31908 762.77898 4515.0000 -80.82699 -77.70009 3.12690 2.16801 -77.54651 731.12180 4520.0000 -81.36307 -78.81484 2.54823 2.09742 -78.28744 656.82169 4525.0000 -80.54183 -78.31788 2.22395 2.09741 -78.28751 693.35445 4530.0000 -81.30466 -78.08355 3.22110 2.08566 -78.41086 670.69205 4535.0000 -80.97341 -77.86875 3.10465 2.09722 -78.28952 673.06902 4540.0000 -81.06206 -77.83263 3.22943 2.13065 -77.93862 657.77458 4545.0000 -80.84191 -77.75389 3.08802 2.14940 -77.74186 709.61385 4550.0000 -81.20756 -78.55964 2.64792 2.12679 -77.97915 736.11245 4555.0000 -81.00812 -78.26580 2.74232 2.05767 -78.70460 652.12774 4560.0000 -81.68140 -78.49275 3.18866 2.12517 -77.99618 715.81826 4565.0000 -81.31592 -77.85223 3.46369 2.09519 -78.31082 681.88480 4570.0000 -81.92971 -78.62781 3.30190 2.11943 -78.05645 691.98507 4575.0000 -82.05622 -79.66397 2.39225 1.99204 -79.39336 570.14671 4580.0000 -81.94072 -79.15827 2.78245 2.01178 -79.18619 610.85876 4585.0000 -81.35007 -77.94435 3.40572 2.05846 -78.69629 669.12944 4590.0000 -81.56999 -77.89882 3.67117 2.11843 -78.06685 681.88811 4595.0000 -81.62749 -78.44862 3.17887 2.12410 -78.00737 705.04158 4600.0000 -81.74096 -78.38862 3.35234 2.03457 -78.94704 628.36250 4605.0000 -81.54726 -79.54780 1.99945 2.03220 -78.97191 608.08807 4610.0000 -80.82795 -78.11993 2.70802 2.04965 -78.78870 604.73646 4615.0000 -81.19470 -77.76725 3.42745 2.13407 -77.90272 713.81125 4620.0000 -80.64153 -77.51971 3.12182 2.12776 -77.96901 686.60985 4625.0000 -80.89135 -78.43506 2.45629 2.12094 -78.04057 714.31975 4630.0000 -80.92018 -78.03619 2.88399 2.09925 -78.26824 690.16801 4635.0000 -81.52379 -78.16102 3.36277 2.13733 -77.86853 709.50093 4640.0000 -81.87978 -78.71288 3.16691 2.07241 -78.54991 663.87248 4645.0000 -80.95140 -77.96400 2.98739 2.07776 -78.49376 634.19230 4650.0000 -80.77566 -78.16573 2.60993 2.15365 -77.69721 731.33046 4655.0000 -80.77113 -77.76832 3.00281 2.10907 -78.16516 653.68309 4660.0000 -81.48401 -78.74688 2.73713 2.13765 -77.86522 712.54187 4665.0000 -81.90880 -79.02908 2.87972 2.02449 -79.05277 633.96734 4670.0000 -81.78633 -78.94516 2.84116 1.99560 -79.35603 617.42687 4675.0000 -81.63521 -79.17748 2.45773 2.02219 -79.07690 606.21649 4680.0000 -81.12197 -78.17722 2.94475 2.06643 -78.61260 646.71912 4685.0000 -81.09813 -78.55511 2.54302 2.08709 -78.39584 692.39089 4690.0000 -82.04871 -78.92516 3.12355 2.01097 -79.19468 639.44062 4695.0000 -82.34639 -79.34553 3.00086 2.01347 -79.16850 623.25096 4700.0000 -81.12910 -78.33202 2.79708 2.03193 -78.97470 611.32054 4705.0000 -82.07177 -78.97076 3.10102 2.05969 -78.68335 649.72161 4710.0000 -81.23356 -77.55085 3.68271 2.09267 -78.33724 674.08737 4715.0000 -81.61242 -79.16543 2.44700 2.05693 -78.71236 630.30624 4720.0000 -80.63419 -77.80914 2.82505 2.08011 -78.46902 657.99581 4725.0000 -80.70742 -78.22852 2.47890 2.14046 -77.83572 682.02751 4730.0000 -81.22553 -77.85636 3.36917 2.10030 -78.25714 660.46450 4735.0000 -81.02100 -77.67223 3.34878 2.14840 -77.75235 710.90250 4740.0000 -81.53101 -78.21087 3.32014 2.12820 -77.96432 690.43739 4745.0000 -80.66325 -78.24132 2.42193 2.14437 -77.79466 699.88538 4750.0000 -80.70549 -77.31731 3.38818 2.19747 -77.23741 793.25529 FREEZING PROCESS: loop number 20 T-loop= 660.00000000000000 main_MD> interactions number 20 at Temperature= 660.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.24601 -1.75644 1.78015 force_rgl> df(natom) -0.38317 -1.38857 -2.38748 4755.0000 -81.80227 -78.61255 3.18972 2.12177 -78.03188 704.84111 4760.0000 -80.82991 -78.13044 2.69947 2.09302 -78.33360 655.28279 4765.0000 -81.44032 -78.79003 2.65029 2.10467 -78.21127 670.68354 4770.0000 -81.67174 -79.24066 2.43107 2.01986 -79.10143 597.30161 4775.0000 -81.33143 -78.76649 2.56494 2.06249 -78.65404 641.73856 4780.0000 -81.14287 -78.18357 2.95930 2.05006 -78.78442 619.29403 4785.0000 -81.75730 -79.02637 2.73092 2.04444 -78.84338 593.23948 4790.0000 -81.38445 -78.42813 2.95632 2.05146 -78.76976 649.01793 4795.0000 -81.46124 -77.86594 3.59530 2.13119 -77.93301 714.52163 4800.0000 -80.30026 -77.24472 3.05553 2.18317 -77.38748 767.37242 4805.0000 -81.37206 -77.00883 4.36323 2.19453 -77.26827 747.67479 4810.0000 -81.48613 -78.39013 3.09600 2.14230 -77.81638 701.16480 4815.0000 -81.80593 -78.40274 3.40319 2.07334 -78.54011 650.35907 4820.0000 -81.25385 -78.09780 3.15605 2.16534 -77.57457 753.17743 4825.0000 -80.99901 -77.35487 3.64415 2.16348 -77.59407 739.49275 4830.0000 -82.11521 -78.95001 3.16520 2.07604 -78.51175 657.44170 4835.0000 -81.04278 -77.73646 3.30632 2.12028 -78.04748 704.06863 4840.0000 -81.02511 -77.86626 3.15886 2.15620 -77.67053 724.62572 4845.0000 -80.89705 -77.72574 3.17132 2.18016 -77.41907 755.51507 4850.0000 -81.02192 -78.57165 2.45027 2.10955 -78.16008 665.16480 4855.0000 -82.32097 -79.90290 2.41807 2.04331 -78.85528 612.70087 4860.0000 -82.00004 -78.77704 3.22300 2.00877 -79.21783 638.33454 4865.0000 -82.44990 -79.97369 2.47621 1.98081 -79.51118 557.87491 4870.0000 -80.88385 -78.04899 2.83486 2.01008 -79.20407 574.36634 4875.0000 -82.26123 -78.76048 3.50075 2.05977 -78.68257 640.57923 4880.0000 -80.56742 -78.14092 2.42650 2.05980 -78.68227 661.77530 4885.0000 -80.74129 -78.23437 2.50693 2.12772 -77.96937 688.38849 4890.0000 -81.36366 -78.34298 3.02068 2.09979 -78.26257 649.22260 4895.0000 -81.27921 -77.84471 3.43450 2.11558 -78.09678 684.49836 4900.0000 -80.70449 -78.18446 2.52003 2.09036 -78.36150 681.11875 4905.0000 -80.77715 -78.10903 2.66812 2.10010 -78.25925 622.94185 4910.0000 -81.51547 -78.60305 2.91242 2.11513 -78.10151 721.72025 4915.0000 -81.70498 -78.68536 3.01962 2.04317 -78.85675 659.75526 4920.0000 -81.42860 -77.92603 3.50257 2.10318 -78.22700 701.85689 4925.0000 -81.25726 -78.11717 3.14008 2.11694 -78.08249 662.63399 4930.0000 -80.52982 -77.66893 2.86089 2.15203 -77.71423 728.82987 4935.0000 -81.08730 -78.32185 2.76546 2.11865 -78.06462 680.99436 4940.0000 -81.03518 -77.98278 3.05240 2.12455 -78.00271 673.03945 4945.0000 -81.26254 -78.51019 2.75235 2.10595 -78.19789 640.70803 4950.0000 -81.26316 -78.63585 2.62731 2.04981 -78.78703 614.67982 4955.0000 -81.37437 -78.88314 2.49123 2.13941 -77.84673 690.85531 4960.0000 -81.51845 -78.66243 2.85602 2.08799 -78.38633 693.24016 4965.0000 -82.30504 -79.86699 2.43805 2.01192 -79.18470 624.21428 4970.0000 -81.37841 -78.07165 3.30676 2.04308 -78.85767 651.80298 4975.0000 -80.66706 -78.28720 2.37986 2.09034 -78.36172 657.73719 4980.0000 -81.88794 -79.06266 2.82527 2.03723 -78.91912 615.99627 4985.0000 -81.72386 -79.37286 2.35100 1.98184 -79.50042 523.08639 4990.0000 -81.47953 -78.88625 2.59327 2.03514 -78.94104 590.16967 4995.0000 -81.08571 -78.15716 2.92855 2.09096 -78.35516 662.70346 5000.0000 -80.55221 -77.16758 3.38463 2.12241 -78.02508 684.44463 FREEZING PROCESS: loop number 21 T-loop= 635.00000000000000 main_MD> interactions number 21 at Temperature= 635.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.59770 0.78735 -1.57256 force_rgl> df(natom) -0.72500 -2.52351 0.52925 5005.0000 -80.87397 -78.00430 2.86967 2.12834 -77.96290 689.00186 5010.0000 -81.81261 -78.00396 3.80865 2.12329 -78.01587 672.66746 5015.0000 -81.59256 -79.17269 2.41987 2.07843 -78.48674 662.68596 5020.0000 -81.96466 -79.56218 2.40248 1.98387 -79.47912 554.47816 5025.0000 -82.05006 -79.85332 2.19673 1.96459 -79.68150 562.48825 5030.0000 -81.56760 -79.34730 2.22030 1.98645 -79.45203 583.69149 5035.0000 -81.01555 -78.23332 2.78223 2.05449 -78.73792 625.90629 5040.0000 -82.11036 -79.21885 2.89151 2.08003 -78.46996 674.18415 5045.0000 -81.97658 -79.50145 2.47512 2.03671 -78.92461 611.91203 5050.0000 -81.37276 -78.53735 2.83541 1.99113 -79.40292 611.15101 5055.0000 -81.47902 -78.28158 3.19744 2.10166 -78.24293 716.61998 5060.0000 -81.73261 -79.26150 2.47110 2.04105 -78.87900 608.12856 5065.0000 -81.73681 -79.09236 2.64445 2.01139 -79.19030 602.43240 5070.0000 -81.43863 -78.04848 3.39015 2.06089 -78.67080 652.43786 5075.0000 -81.23888 -78.67709 2.56179 2.12929 -77.95289 693.14166 5080.0000 -81.32403 -78.15968 3.16435 2.07654 -78.50653 648.86049 5085.0000 -81.44248 -78.17208 3.27040 2.10137 -78.24598 715.25884 5090.0000 -80.66971 -77.39329 3.27642 2.16796 -77.54703 734.60966 5095.0000 -81.20561 -78.03669 3.16892 2.19036 -77.31196 734.62153 5100.0000 -81.53772 -77.93623 3.60149 2.11743 -78.07741 682.26739 5105.0000 -81.95768 -78.52309 3.43460 2.07299 -78.54384 647.23827 5110.0000 -81.58985 -78.57765 3.01219 2.06055 -78.67436 638.54038 5115.0000 -81.34545 -78.52454 2.82091 2.09367 -78.32674 669.91364 5120.0000 -81.18783 -78.83325 2.35458 2.04443 -78.84358 626.27007 5125.0000 -81.68074 -78.83878 2.84196 2.06412 -78.63691 697.21872 5130.0000 -81.98608 -79.29786 2.68822 2.04603 -78.82669 648.44787 5135.0000 -81.93711 -79.84601 2.09110 1.96116 -79.71750 558.26689 5140.0000 -82.67216 -79.67903 2.99313 1.93186 -80.02499 538.12409 5145.0000 -81.39904 -78.87899 2.52004 2.00464 -79.26116 610.68316 5150.0000 -81.31220 -78.56224 2.74997 2.02803 -79.01570 644.73146 5155.0000 -81.35674 -77.74504 3.61170 2.10999 -78.15543 704.76952 5160.0000 -80.84181 -78.03484 2.80697 2.10786 -78.17781 723.70158 5165.0000 -81.95205 -79.21724 2.73481 2.06441 -78.63387 645.09239 5170.0000 -81.64671 -78.97978 2.66693 2.05950 -78.68536 638.42352 5175.0000 -81.31093 -79.23046 2.08047 2.04907 -78.79479 599.45540 5180.0000 -80.43467 -77.72227 2.71240 2.08342 -78.43431 616.85421 5185.0000 -81.79811 -78.62997 3.16815 2.08542 -78.41334 651.57178 5190.0000 -82.38677 -79.84387 2.54290 1.99767 -79.33424 581.31368 5195.0000 -81.70572 -79.22626 2.47946 1.97913 -79.52883 590.83496 5200.0000 -81.15470 -79.01520 2.13950 2.00876 -79.21785 600.21017 5205.0000 -81.61183 -78.99840 2.61343 2.03003 -78.99465 620.52069 5210.0000 -81.01660 -78.09388 2.92272 2.08373 -78.43109 646.98884 5215.0000 -81.01535 -78.43559 2.57976 2.05740 -78.70741 646.21934 5220.0000 -81.16174 -78.29704 2.86470 2.12525 -77.99531 679.79138 5225.0000 -82.02161 -78.76855 3.25306 2.04428 -78.84508 637.85915 5230.0000 -81.13266 -78.33768 2.79498 2.08740 -78.39252 660.16363 5235.0000 -81.25880 -77.78487 3.47393 2.15478 -77.68545 721.38661 5240.0000 -80.87433 -78.43919 2.43514 2.10355 -78.22305 678.73397 5245.0000 -81.50105 -78.37948 3.12156 2.06839 -78.59203 654.20206 5250.0000 -81.25319 -78.71111 2.54208 2.08399 -78.42831 662.44661 FREEZING PROCESS: loop number 22 T-loop= 610.00000000000000 main_MD> interactions number 22 at Temperature= 610.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -5.62034 -2.20446 -0.43100 force_rgl> df(natom) 0.03638 0.54250 1.55361 5255.0000 -81.06230 -79.10716 1.95514 2.02038 -79.09596 542.73235 5260.0000 -81.67516 -78.54934 3.12582 2.02607 -79.03625 550.96636 5265.0000 -81.48216 -78.44272 3.03945 2.06513 -78.62631 646.00885 5270.0000 -81.62173 -78.59950 3.02223 2.07701 -78.50165 665.67719 5275.0000 -81.68362 -78.77786 2.90575 2.03871 -78.90362 619.48628 5280.0000 -81.84205 -78.17047 3.67158 2.03000 -78.99494 612.50249 5285.0000 -81.50079 -78.93161 2.56918 2.06588 -78.61845 624.27029 5290.0000 -80.62848 -78.58573 2.04276 2.08357 -78.43278 654.83889 5295.0000 -82.19137 -79.66985 2.52152 2.02632 -79.03356 605.26581 5300.0000 -81.64432 -78.62229 3.02203 2.00619 -79.24483 587.73138 5305.0000 -82.15968 -80.06923 2.09044 2.00350 -79.27315 604.45968 5310.0000 -82.08416 -79.27688 2.80727 1.91822 -80.16812 511.46835 5315.0000 -81.52337 -78.96794 2.55544 2.02706 -79.02584 623.41559 5320.0000 -82.01102 -79.01654 2.99448 2.01123 -79.19194 576.60623 5325.0000 -81.34264 -77.99102 3.35162 2.10967 -78.15883 691.77802 5330.0000 -80.99227 -77.78848 3.20380 2.12918 -77.95403 701.79270 5335.0000 -80.48837 -77.61239 2.87598 2.12841 -77.96217 684.00314 5340.0000 -81.41388 -79.17862 2.23526 2.09644 -78.29772 646.20628 5345.0000 -81.20980 -78.61886 2.59094 2.01105 -79.19391 599.09334 5350.0000 -81.19063 -78.08437 3.10626 2.08582 -78.40909 653.97305 5355.0000 -82.31690 -79.49704 2.81986 2.05432 -78.73975 629.70194 5360.0000 -81.55115 -79.53746 2.01369 1.98655 -79.45095 565.26884 5365.0000 -82.26239 -79.70722 2.55517 1.94219 -79.91660 513.14485 5370.0000 -82.30847 -79.75137 2.55710 1.94732 -79.86276 549.13001 5375.0000 -82.20142 -79.80065 2.40077 1.95237 -79.80972 518.92438 5380.0000 -82.07780 -79.50879 2.56901 1.94397 -79.89792 544.03123 5385.0000 -82.11617 -80.29284 1.82333 1.93865 -79.95372 551.34670 5390.0000 -81.90076 -79.14746 2.75330 1.98568 -79.46013 559.37533 5395.0000 -81.80721 -79.52318 2.28403 1.99654 -79.34614 582.08677 5400.0000 -81.43089 -78.99239 2.43850 2.01113 -79.19305 596.83695 5405.0000 -81.52316 -79.44444 2.07873 1.99111 -79.40310 590.53928 5410.0000 -81.62865 -79.46294 2.16571 2.01374 -79.16558 590.01792 5415.0000 -82.28537 -80.03632 2.24906 1.95376 -79.79516 555.23659 5420.0000 -81.97757 -78.22566 3.75191 2.03662 -78.92549 647.23897 5425.0000 -81.77899 -78.83951 2.93948 2.09304 -78.33339 676.25231 5430.0000 -81.62553 -79.04129 2.58424 2.02831 -79.01276 617.59723 5435.0000 -81.31958 -78.89525 2.42433 2.04073 -78.88234 637.54986 5440.0000 -81.55873 -79.22459 2.33415 2.02544 -79.04284 602.08398 5445.0000 -82.04703 -79.44117 2.60586 1.98327 -79.48542 569.45428 5450.0000 -82.33515 -79.63918 2.69596 1.98426 -79.47502 568.33754 5455.0000 -82.27060 -79.29756 2.97304 2.01089 -79.19552 580.43266 5460.0000 -81.53289 -78.13725 3.39564 2.05916 -78.68897 645.43431 5465.0000 -81.82294 -78.63793 3.18501 2.04081 -78.88152 628.46252 5470.0000 -82.07393 -79.10270 2.97123 2.02911 -79.00427 622.10710 5475.0000 -81.91129 -79.51879 2.39250 2.00047 -79.30491 587.50301 5480.0000 -81.12445 -78.74016 2.38428 1.97110 -79.61310 525.51800 5485.0000 -80.45731 -77.99529 2.46202 2.05396 -78.74357 579.28495 5490.0000 -82.28502 -79.84279 2.44223 2.02574 -79.03971 602.40701 5495.0000 -81.49657 -79.48466 2.01190 1.95858 -79.74452 509.08393 5500.0000 -81.87096 -78.74081 3.13015 2.01473 -79.15520 596.54129 FREEZING PROCESS: loop number 23 T-loop= 585.00000000000000 main_MD> interactions number 23 at Temperature= 585.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.08370 1.29089 -1.13065 force_rgl> df(natom) 3.28637 -0.82223 1.44296 5505.0000 -81.75971 -79.41999 2.33972 2.00201 -79.28869 586.41690 5510.0000 -81.48587 -78.57746 2.90841 2.00556 -79.25152 564.17754 5515.0000 -81.72823 -79.03815 2.69008 2.05810 -78.70008 628.54847 5520.0000 -81.67286 -78.39041 3.28246 2.07591 -78.51313 642.03285 5525.0000 -81.56213 -78.80485 2.75728 2.03169 -78.97726 593.38204 5530.0000 -82.31028 -79.38208 2.92820 2.03613 -78.93062 620.06186 5535.0000 -80.61187 -78.43380 2.17807 1.99744 -79.33674 561.43854 5540.0000 -81.76643 -79.24938 2.51705 2.04331 -78.85526 565.34190 5545.0000 -82.32415 -79.37340 2.95075 2.01473 -79.15520 592.79902 5550.0000 -81.76881 -78.75647 3.01234 1.99897 -79.32066 607.46723 5555.0000 -81.81425 -79.06926 2.74499 2.04378 -78.85032 588.74949 5560.0000 -81.43814 -79.18798 2.25017 1.98895 -79.42577 579.13336 5565.0000 -81.52641 -79.37079 2.15562 1.96910 -79.63416 549.97872 5570.0000 -81.73668 -79.70572 2.03096 1.98778 -79.43810 552.51063 5575.0000 -81.75342 -77.74809 4.00533 2.04893 -78.79630 636.76687 5580.0000 -81.56903 -78.03668 3.53235 2.09390 -78.32436 666.82583 5585.0000 -81.88418 -79.22856 2.65562 2.06541 -78.62334 634.41522 5590.0000 -81.52125 -78.90778 2.61347 2.02314 -79.06695 618.70476 5595.0000 -82.39303 -79.92347 2.46956 2.01951 -79.10504 618.30645 5600.0000 -82.17963 -79.11140 3.06822 1.96032 -79.72631 563.50300 5605.0000 -81.53486 -79.03647 2.49839 1.98911 -79.42412 588.49335 5610.0000 -82.15812 -79.83498 2.32313 2.00310 -79.27731 585.43105 5615.0000 -81.70618 -78.76381 2.94238 2.02463 -79.05133 593.86057 5620.0000 -81.54394 -78.76418 2.77976 2.07372 -78.53612 665.07042 5625.0000 -81.66842 -79.62354 2.04488 1.99537 -79.35846 572.20460 5630.0000 -81.95940 -79.71732 2.24208 1.97484 -79.57386 548.75372 5635.0000 -81.55048 -79.22747 2.32301 1.95855 -79.74489 521.75288 5640.0000 -82.06772 -79.61625 2.45147 1.99289 -79.38443 557.49191 5645.0000 -81.92278 -79.33004 2.59275 2.01301 -79.17326 624.42236 5650.0000 -81.80976 -79.40898 2.40078 1.94781 -79.85759 536.90413 5655.0000 -82.03219 -79.30957 2.72261 1.96387 -79.68902 556.69665 5660.0000 -82.52611 -79.55169 2.97442 1.97182 -79.60555 581.45985 5665.0000 -82.27948 -79.41395 2.86553 2.01442 -79.15854 624.74491 5670.0000 -81.75644 -79.72213 2.03431 1.96972 -79.62766 607.58764 5675.0000 -82.03421 -78.92574 3.10847 1.97125 -79.61160 602.52582 5680.0000 -81.51175 -78.21119 3.30056 2.04484 -78.83921 634.01440 5685.0000 -81.58815 -78.85028 2.73787 2.04488 -78.83884 618.95522 5690.0000 -80.90320 -78.60582 2.29739 2.05364 -78.74685 615.91058 5695.0000 -81.24999 -78.63113 2.61886 2.03297 -78.96378 600.20898 5700.0000 -80.99753 -78.69867 2.29886 2.07270 -78.54688 621.44233 5705.0000 -81.42599 -79.13094 2.29505 2.01727 -79.12859 617.69645 5710.0000 -81.58524 -78.04006 3.54517 2.02375 -79.06055 639.43263 5715.0000 -81.61188 -78.83857 2.77331 2.10054 -78.25466 669.63592 5720.0000 -81.32924 -79.10714 2.22211 2.04252 -78.86363 590.20962 5725.0000 -81.80392 -78.91607 2.88785 2.02393 -79.05869 593.95275 5730.0000 -82.43385 -80.11695 2.31690 1.97005 -79.62414 562.44727 5735.0000 -82.14678 -79.58418 2.56260 1.94397 -79.89785 553.40829 5740.0000 -81.95404 -78.91511 3.03893 2.03468 -78.94590 608.96811 5745.0000 -82.31654 -80.04536 2.27117 1.99888 -79.32155 585.12965 5750.0000 -82.09491 -79.53018 2.56473 1.94049 -79.93436 565.48817 FREEZING PROCESS: loop number 24 T-loop= 560.00000000000000 main_MD> interactions number 24 at Temperature= 560.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 3.45446 -2.56804 3.58592 force_rgl> df(natom) -7.59864 -3.12188 3.98283 5755.0000 -81.98324 -79.86493 2.11830 2.01888 -79.11170 619.62444 5760.0000 -81.85039 -79.25240 2.59800 1.94392 -79.89842 528.79202 5765.0000 -81.45864 -79.04065 2.41799 1.99487 -79.36371 555.70388 5770.0000 -81.49745 -79.30083 2.19662 2.04655 -78.82128 606.14617 5775.0000 -82.59222 -79.60951 2.98270 1.98347 -79.48336 554.66471 5780.0000 -82.29021 -80.18565 2.10456 1.94118 -79.92711 557.17017 5785.0000 -82.31622 -79.58403 2.73220 1.94374 -79.90033 524.81205 5790.0000 -82.48492 -80.29005 2.19488 1.97182 -79.60555 557.20682 5795.0000 -82.56900 -79.74794 2.82106 1.92792 -80.06630 518.27857 5800.0000 -82.18721 -79.08060 3.10661 2.00427 -79.26499 585.59507 5805.0000 -81.74148 -79.65721 2.08427 2.02645 -79.03220 634.22056 5810.0000 -81.46555 -78.65862 2.80694 2.01477 -79.15484 575.04962 5815.0000 -82.16384 -79.31117 2.85268 2.00714 -79.23492 566.19220 5820.0000 -82.02345 -79.49997 2.52348 1.96614 -79.66524 527.19422 5825.0000 -82.11071 -79.55321 2.55750 1.94828 -79.85262 526.85824 5830.0000 -82.47272 -79.47222 3.00050 1.95958 -79.73406 555.59059 5835.0000 -81.48628 -79.76539 1.72090 1.97636 -79.55794 582.02926 5840.0000 -81.81864 -79.56414 2.25451 1.97886 -79.53170 568.29672 5845.0000 -82.08650 -79.63843 2.44807 2.01135 -79.19074 604.17279 5850.0000 -82.31172 -80.22574 2.08598 1.94259 -79.91240 541.05233 5855.0000 -82.42539 -79.78323 2.64216 1.94803 -79.85529 560.21903 5860.0000 -82.32903 -79.22536 3.10367 2.00153 -79.29379 602.46162 5865.0000 -82.00321 -79.55865 2.44456 1.97587 -79.56311 554.49274 5870.0000 -81.90105 -79.95860 1.94244 1.96444 -79.68307 555.30830 5875.0000 -81.46444 -78.39228 3.07216 2.00936 -79.21162 583.77910 5880.0000 -81.43672 -78.93949 2.49723 2.06197 -78.65948 610.39861 5885.0000 -82.23921 -79.42566 2.81355 1.99615 -79.35019 569.19449 5890.0000 -82.41171 -79.92901 2.48270 1.97867 -79.53373 541.49118 5895.0000 -81.81430 -79.33572 2.47858 1.95459 -79.78637 553.86924 5900.0000 -82.31021 -79.32923 2.98098 2.00571 -79.24986 599.25225 5905.0000 -82.57213 -79.86023 2.71190 1.93657 -79.97548 513.96187 5910.0000 -82.15219 -80.34786 1.80433 1.92978 -80.04678 497.67545 5915.0000 -81.55927 -79.37426 2.18501 1.99250 -79.38855 563.76561 5920.0000 -81.61539 -79.39284 2.22256 1.99111 -79.40314 555.98344 5925.0000 -81.37148 -78.95117 2.42031 2.02988 -78.99629 583.96781 5930.0000 -82.69650 -80.24835 2.44815 1.96825 -79.64305 537.99337 5935.0000 -82.38490 -80.34602 2.03888 1.93627 -79.97866 533.42027 5940.0000 -82.01261 -79.00096 3.01165 1.99665 -79.34499 596.58110 5945.0000 -81.12392 -78.89427 2.22964 2.01650 -79.13671 582.14592 5950.0000 -81.46767 -78.94142 2.52624 2.01176 -79.18646 622.54878 5955.0000 -82.50675 -79.68961 2.81715 2.03593 -78.93272 635.59008 5960.0000 -82.15601 -79.75157 2.40444 1.94060 -79.93323 528.65816 5965.0000 -82.61881 -80.97279 1.64601 1.87517 -80.61989 496.48159 5970.0000 -82.23466 -80.42729 1.80736 1.84198 -80.96828 448.06102 5975.0000 -82.20870 -79.95916 2.24954 1.91575 -80.19409 526.92192 5980.0000 -82.59398 -80.29931 2.29467 1.92133 -80.13553 544.65128 5985.0000 -82.46766 -79.56364 2.90401 1.93661 -79.97516 563.64404 5990.0000 -82.83517 -80.13068 2.70449 1.93069 -80.03720 543.95324 5995.0000 -82.71329 -79.66526 3.04803 1.97142 -79.60978 543.64448 6000.0000 -82.16875 -79.40960 2.75915 2.01946 -79.10562 604.78757 FREEZING PROCESS: loop number 25 T-loop= 535.00000000000000 main_MD> interactions number 25 at Temperature= 535.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.96980 -0.12307 0.52656 force_rgl> df(natom) -1.07145 -1.30070 -1.50207 6005.0000 -81.82836 -78.79577 3.03259 2.01164 -79.18762 622.17192 6010.0000 -82.93554 -80.02659 2.90895 1.95612 -79.77031 557.53679 6015.0000 -82.62549 -80.38989 2.23561 1.90135 -80.34520 507.00533 6020.0000 -83.05728 -80.78420 2.27308 1.88475 -80.51936 487.16515 6025.0000 -82.36188 -80.55307 1.80881 1.85582 -80.82301 444.15831 6030.0000 -82.58067 -80.25189 2.32878 1.87654 -80.60560 472.38428 6035.0000 -82.20123 -79.97699 2.22425 1.95167 -79.81709 562.90910 6040.0000 -82.51291 -80.24586 2.26705 1.92376 -80.10993 491.89460 6045.0000 -82.34554 -80.32395 2.02159 1.89266 -80.43632 467.96687 6050.0000 -82.66069 -80.37250 2.28819 1.91529 -80.19885 498.54561 6055.0000 -82.40266 -79.87967 2.52299 1.97586 -79.56315 577.42853 6060.0000 -82.21668 -79.45527 2.76141 1.97237 -79.59986 537.72196 6065.0000 -82.63120 -79.93012 2.70108 1.94875 -79.84773 540.12368 6070.0000 -81.88213 -79.54875 2.33338 1.92046 -80.14460 537.26114 6075.0000 -82.89220 -80.33827 2.55393 1.93774 -79.96329 549.80037 6080.0000 -82.89214 -81.08151 1.81062 1.85578 -80.82347 463.37437 6085.0000 -82.79021 -80.33018 2.46002 1.89479 -80.41404 522.58213 6090.0000 -82.10772 -80.06099 2.04673 1.92341 -80.11365 527.83499 6095.0000 -82.29381 -79.62288 2.67093 1.94066 -79.93266 544.85092 6100.0000 -81.84419 -79.56091 2.28328 1.97682 -79.55312 586.55555 6105.0000 -82.20448 -80.17344 2.03104 1.95496 -79.78251 536.57625 6110.0000 -82.81652 -80.36154 2.45498 1.92094 -80.13961 539.22837 6115.0000 -82.55427 -80.62489 1.92938 1.90754 -80.28026 514.71474 6120.0000 -82.08195 -79.67755 2.40439 1.90955 -80.25910 513.73658 6125.0000 -82.48699 -80.49912 1.98787 1.94103 -79.92871 534.16921 6130.0000 -82.93524 -80.86717 2.06807 1.84880 -80.89665 440.87451 6135.0000 -82.36778 -80.38731 1.98047 1.87483 -80.62347 473.85776 6140.0000 -82.48072 -80.17429 2.30643 1.89681 -80.39277 485.19042 6145.0000 -82.57180 -80.59871 1.97310 1.89307 -80.43208 483.06566 6150.0000 -81.64660 -79.46307 2.18353 1.88776 -80.48776 479.71589 6155.0000 -82.20309 -80.35441 1.84868 1.96249 -79.70352 547.66043 6160.0000 -82.28840 -80.21560 2.07280 1.92356 -80.11205 500.69496 6165.0000 -82.57506 -79.94560 2.62946 1.92746 -80.07117 510.77700 6170.0000 -82.67431 -80.58264 2.09167 1.89265 -80.43647 482.18756 6175.0000 -82.25635 -79.55416 2.70219 1.92583 -80.08825 518.78667 6180.0000 -81.60223 -78.89980 2.70242 2.00570 -79.25005 598.74587 6185.0000 -82.01488 -79.98446 2.03042 1.99013 -79.41341 574.93623 6190.0000 -82.72217 -80.40091 2.32126 1.95210 -79.81250 539.41154 6195.0000 -82.42736 -80.01030 2.41706 1.97663 -79.55507 573.44078 6200.0000 -82.89642 -80.04014 2.85628 1.93938 -79.94600 534.21105 6205.0000 -82.05079 -79.71736 2.33343 1.93629 -79.97852 525.44785 6210.0000 -82.63532 -79.81915 2.81617 1.93856 -79.95461 549.86932 6215.0000 -82.25337 -79.78791 2.46546 1.96237 -79.70474 592.11909 6220.0000 -82.41934 -80.16723 2.25212 1.93711 -79.96989 551.44668 6225.0000 -81.99376 -79.95220 2.04156 1.94147 -79.92415 569.46308 6230.0000 -82.13794 -79.60686 2.53108 1.91939 -80.15581 509.43683 6235.0000 -81.56903 -79.31160 2.25743 2.00310 -79.27727 612.40024 6240.0000 -81.76781 -78.43233 3.33548 2.02448 -79.05296 608.79786 6245.0000 -82.39293 -79.93118 2.46176 1.98678 -79.44861 585.76478 6250.0000 -82.11781 -79.62826 2.48955 1.95168 -79.81700 548.40910 FREEZING PROCESS: loop number 26 T-loop= 510.00000000000000 main_MD> interactions number 26 at Temperature= 510.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -1.82300 -1.81998 -0.42537 force_rgl> df(natom) 3.50471 4.51917 1.47102 6255.0000 -82.29286 -79.70121 2.59165 1.97077 -79.61664 557.51538 6260.0000 -82.43775 -79.85528 2.58248 1.96308 -79.69729 569.78026 6265.0000 -82.10688 -79.71332 2.39356 1.92522 -80.09468 534.95503 6270.0000 -83.11711 -80.56203 2.55508 1.93745 -79.96628 545.94256 6275.0000 -82.57102 -81.15614 1.41488 1.83542 -81.03715 444.18241 6280.0000 -82.47217 -80.68245 1.78972 1.87206 -80.65260 472.89172 6285.0000 -82.45506 -80.38080 2.07426 1.85815 -80.79851 453.51882 6290.0000 -82.70454 -80.32609 2.37845 1.89417 -80.42052 490.06835 6295.0000 -81.93332 -79.20324 2.73008 1.95249 -79.80843 568.08899 6300.0000 -81.96477 -78.88358 3.08119 2.02824 -79.01345 597.76446 6305.0000 -81.41622 -78.61532 2.80090 2.05856 -78.69519 619.51203 6310.0000 -81.11928 -78.27359 2.84570 2.05938 -78.68660 567.45724 6315.0000 -82.42820 -79.91715 2.51105 2.00398 -79.26802 590.95796 6320.0000 -82.16774 -80.34425 1.82349 1.92837 -80.06161 530.66455 6325.0000 -82.44386 -80.27152 2.17233 1.91986 -80.15094 512.30728 6330.0000 -82.28134 -80.55908 1.72225 1.90147 -80.34395 482.01881 6335.0000 -82.83414 -80.99589 1.83825 1.85230 -80.85991 444.96596 6340.0000 -82.90880 -80.87790 2.03090 1.82653 -81.13037 435.25791 6345.0000 -82.79327 -80.62556 2.16771 1.85661 -80.81470 475.80109 6350.0000 -82.58387 -80.62241 1.96146 1.86663 -80.70960 467.69604 6355.0000 -82.98957 -80.71070 2.27886 1.88001 -80.56917 482.61638 6360.0000 -82.77052 -80.94326 1.82725 1.86294 -80.74824 459.90795 6365.0000 -82.38810 -80.00701 2.38109 1.89682 -80.39271 502.39669 6370.0000 -83.06342 -80.68957 2.37386 1.94047 -79.93456 549.40679 6375.0000 -82.46832 -80.39660 2.07172 1.90534 -80.30326 495.91131 6380.0000 -82.20511 -80.06826 2.13685 1.91527 -80.19906 503.14449 6385.0000 -82.15046 -79.92245 2.22801 1.92242 -80.12405 489.76874 6390.0000 -82.66627 -81.04241 1.62386 1.89446 -80.41749 487.65823 6395.0000 -82.68739 -80.68021 2.00718 1.85429 -80.83911 463.40973 6400.0000 -81.39732 -78.78456 2.61276 1.95619 -79.76966 557.86138 6405.0000 -82.33247 -79.76788 2.56459 1.97250 -79.59840 549.88034 6410.0000 -82.60106 -80.86136 1.73970 1.90336 -80.32402 503.62785 6415.0000 -82.70356 -80.61547 2.08809 1.87038 -80.67024 484.78193 6420.0000 -82.38125 -80.21331 2.16794 1.87636 -80.60741 487.93134 6425.0000 -82.91270 -80.50385 2.40885 1.89416 -80.42061 519.11954 6430.0000 -82.56249 -79.79275 2.76974 1.88954 -80.46909 507.09049 6435.0000 -82.84178 -80.64970 2.19208 1.90612 -80.29513 523.68895 6440.0000 -82.54675 -80.25477 2.29198 1.90216 -80.33666 524.68685 6445.0000 -81.78485 -79.59258 2.19227 1.95477 -79.78451 561.05275 6450.0000 -82.09031 -80.53253 1.55779 1.93364 -80.00630 536.83712 6455.0000 -82.37080 -80.21131 2.15949 1.91351 -80.21751 506.37184 6460.0000 -82.86270 -80.82038 2.04232 1.89495 -80.41233 504.26568 6465.0000 -83.20462 -80.87521 2.32940 1.85556 -80.82578 463.34687 6470.0000 -83.02109 -80.71632 2.30477 1.82685 -81.12709 443.18083 6475.0000 -82.68645 -80.27232 2.41413 1.92538 -80.09298 524.48147 6480.0000 -82.53394 -80.16582 2.36812 1.90081 -80.35084 510.65197 6485.0000 -83.00648 -80.80202 2.20447 1.90092 -80.34964 509.90288 6490.0000 -82.23893 -79.91519 2.32374 1.89163 -80.44717 494.59546 6495.0000 -82.82392 -80.81225 2.01167 1.91835 -80.16674 525.39954 6500.0000 -82.97543 -80.83956 2.13587 1.84771 -80.90811 449.42579 FREEZING PROCESS: loop number 27 T-loop= 485.00000000000000 main_MD> interactions number 27 at Temperature= 485.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.41718 0.82645 0.91906 force_rgl> df(natom) 0.72790 -3.30634 3.77441 6505.0000 -83.03488 -80.50962 2.52526 1.88871 -80.47778 499.04390 6510.0000 -82.11809 -79.66098 2.45712 1.92193 -80.12913 509.17854 6515.0000 -82.59816 -80.37719 2.22097 1.92200 -80.12843 519.01177 6520.0000 -82.37877 -80.61325 1.76552 1.87500 -80.62176 462.47996 6525.0000 -82.68708 -80.60361 2.08347 1.89242 -80.43893 488.51170 6530.0000 -82.37481 -80.37910 1.99571 1.88807 -80.48459 494.87269 6535.0000 -82.61360 -80.50360 2.11000 1.87841 -80.58589 471.93484 6540.0000 -83.19074 -80.58692 2.60382 1.89788 -80.38157 499.96263 6545.0000 -82.11180 -80.47733 1.63446 1.86254 -80.75244 476.22466 6550.0000 -82.91447 -80.68894 2.22552 1.86420 -80.73505 466.87823 6555.0000 -83.22315 -81.43877 1.78438 1.83917 -80.99772 449.24916 6560.0000 -83.07356 -80.84391 2.22966 1.82468 -81.14982 438.67042 6565.0000 -83.24686 -80.98932 2.25754 1.85510 -80.83055 461.04347 6570.0000 -83.20913 -81.62536 1.58378 1.78977 -81.51620 392.93610 6575.0000 -82.70292 -81.00244 1.70048 1.82916 -81.10280 430.44778 6580.0000 -82.86436 -80.66913 2.19524 1.88092 -80.55957 492.02483 6585.0000 -82.48617 -79.54938 2.93679 1.90292 -80.32874 495.18924 6590.0000 -82.18487 -80.11648 2.06839 1.94416 -79.89592 514.61729 6595.0000 -82.47250 -80.51741 1.95508 1.87617 -80.60939 464.71756 6600.0000 -82.33560 -80.31913 2.01647 1.89671 -80.39387 509.62095 6605.0000 -82.59337 -80.95899 1.63438 1.87480 -80.62385 490.56472 6610.0000 -82.46217 -80.56383 1.89833 1.87494 -80.62237 484.13626 6615.0000 -82.52300 -80.42458 2.09843 1.89660 -80.39506 494.26945 6620.0000 -82.27435 -79.82077 2.45358 1.90189 -80.33948 512.75537 6625.0000 -82.95874 -80.89683 2.06192 1.90439 -80.31325 509.89695 6630.0000 -83.43027 -81.36475 2.06552 1.81820 -81.21788 437.47770 6635.0000 -82.58894 -80.71897 1.86997 1.84692 -80.91646 462.84571 6640.0000 -82.84212 -81.01176 1.83036 1.87499 -80.62181 493.71327 6645.0000 -83.14782 -81.02168 2.12614 1.84034 -80.98552 447.93061 6650.0000 -82.70866 -80.78772 1.92094 1.83034 -81.09044 438.20695 6655.0000 -82.20413 -79.64790 2.55623 1.92882 -80.05691 534.59321 6660.0000 -82.46975 -80.38232 2.08744 1.93767 -79.96398 525.02155 6665.0000 -82.50998 -80.47248 2.03750 1.86874 -80.68744 471.81993 6670.0000 -82.72206 -80.57226 2.14980 1.87671 -80.60379 491.72753 6675.0000 -83.02689 -80.44563 2.58127 1.90862 -80.26889 512.87876 6680.0000 -83.22722 -81.06784 2.15937 1.87874 -80.58243 489.77883 6685.0000 -82.84136 -81.04778 1.79357 1.85689 -80.81181 470.28255 6690.0000 -82.90219 -80.62747 2.27472 1.86069 -80.77186 475.00601 6695.0000 -83.17741 -81.64071 1.53671 1.84448 -80.94200 448.14314 6700.0000 -83.03960 -81.21761 1.82200 1.80434 -81.36331 424.16621 6705.0000 -82.92865 -80.88986 2.03880 1.83098 -81.08371 422.98602 6710.0000 -82.39069 -80.44998 1.94071 1.88008 -80.56842 474.50422 6715.0000 -82.82119 -80.60976 2.21142 1.92051 -80.14408 511.77335 6720.0000 -82.30567 -80.23934 2.06633 1.91379 -80.21459 502.95991 6725.0000 -82.80691 -81.19088 1.61603 1.86463 -80.73060 477.20518 6730.0000 -82.57540 -80.75929 1.81611 1.82188 -81.17920 437.78533 6735.0000 -82.92403 -80.82086 2.10317 1.86123 -80.76624 466.39725 6740.0000 -82.85050 -81.02500 1.82549 1.84345 -80.95285 451.54999 6745.0000 -83.17349 -80.72739 2.44610 1.85036 -80.88029 459.10299 6750.0000 -82.45242 -80.56967 1.88275 1.87606 -80.61060 480.78123 FREEZING PROCESS: loop number 28 T-loop= 460.00000000000000 main_MD> interactions number 28 at Temperature= 460.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -2.04343 -0.90720 -1.51661 force_rgl> df(natom) 0.59659 -1.21626 2.99327 6755.0000 -82.05599 -79.99937 2.05662 1.89705 -80.39026 500.18140 6760.0000 -83.17841 -81.22583 1.95258 1.88663 -80.49963 487.81461 6765.0000 -81.81942 -80.14348 1.67594 1.90327 -80.32500 512.10515 6770.0000 -83.51665 -81.48606 2.03059 1.84991 -80.88509 447.00652 6775.0000 -83.33552 -81.54035 1.79517 1.79269 -81.48562 399.29374 6780.0000 -83.47699 -81.71037 1.76662 1.77189 -81.70387 380.96822 6785.0000 -83.24098 -81.34714 1.89384 1.80611 -81.34473 409.73328 6790.0000 -82.12556 -79.93723 2.18832 1.88037 -80.56533 485.92712 6795.0000 -83.17538 -81.16816 2.00722 1.88144 -80.55410 464.93006 6800.0000 -82.89298 -80.32418 2.56880 1.90633 -80.29285 494.53344 6805.0000 -82.99672 -81.40421 1.59251 1.87332 -80.63931 481.34746 6810.0000 -83.11016 -80.83812 2.27204 1.82552 -81.14101 444.35559 6815.0000 -82.86572 -81.06357 1.80215 1.86057 -80.77321 491.27357 6820.0000 -82.89931 -81.18352 1.71579 1.82241 -81.17369 428.27320 6825.0000 -82.89838 -80.62623 2.27214 1.84237 -80.96417 435.56597 6830.0000 -83.07675 -81.16039 1.91636 1.86713 -80.70426 469.33034 6835.0000 -82.67947 -80.89653 1.78294 1.83215 -81.07140 437.70154 6840.0000 -82.89655 -81.12863 1.76792 1.84162 -80.97207 447.90197 6845.0000 -82.24469 -79.90580 2.33889 1.88038 -80.56530 494.44458 6850.0000 -82.53163 -80.27964 2.25199 1.90694 -80.28655 514.89143 6855.0000 -82.21002 -79.93295 2.27707 1.89774 -80.38306 495.49455 6860.0000 -82.97251 -80.24131 2.73121 1.92479 -80.09917 519.90892 6865.0000 -83.07052 -80.98078 2.08973 1.86527 -80.72388 450.21584 6870.0000 -82.67222 -80.26192 2.41031 1.86277 -80.75012 443.02730 6875.0000 -82.53191 -80.60129 1.93062 1.85422 -80.83977 428.35805 6880.0000 -82.75101 -80.64947 2.10153 1.88189 -80.54939 450.87311 6885.0000 -82.99091 -81.23272 1.75819 1.82145 -81.18373 402.95234 6890.0000 -82.98951 -81.25347 1.73604 1.82220 -81.17588 402.71207 6895.0000 -82.37708 -80.53913 1.83795 1.84784 -80.90679 421.62161 6900.0000 -83.30865 -81.37346 1.93519 1.86764 -80.69893 473.90285 6905.0000 -83.34836 -81.06713 2.28123 1.82029 -81.19590 434.31248 6910.0000 -82.88217 -80.96683 1.91534 1.83484 -81.04320 452.33096 6915.0000 -82.78005 -80.78552 1.99453 1.82112 -81.18724 418.54579 6920.0000 -82.73829 -80.66732 2.07097 1.85656 -80.81528 475.62513 6925.0000 -82.96194 -80.79489 2.16705 1.82148 -81.18338 432.23464 6930.0000 -82.76803 -80.99549 1.77254 1.83792 -81.01086 436.60884 6935.0000 -83.37567 -81.47277 1.90290 1.79594 -81.45144 415.70940 6940.0000 -83.21241 -81.19815 2.01426 1.81498 -81.25161 428.64450 6945.0000 -82.25935 -80.60448 1.65486 1.82349 -81.16227 429.60048 6950.0000 -82.32207 -80.52132 1.80075 1.86228 -80.75523 468.29837 6955.0000 -82.68510 -80.50397 2.18112 1.89068 -80.45713 480.21589 6960.0000 -82.88783 -80.76585 2.12198 1.84845 -80.90033 433.20396 6965.0000 -83.10665 -81.20645 1.90020 1.83594 -81.03161 430.37250 6970.0000 -82.77178 -80.42077 2.35101 1.88069 -80.56201 467.93956 6975.0000 -82.18595 -80.51563 1.67032 1.89660 -80.39506 477.99355 6980.0000 -82.49896 -80.31056 2.18840 1.90100 -80.34883 459.25079 6985.0000 -82.84018 -80.28531 2.55487 1.87558 -80.61563 466.41711 6990.0000 -82.53155 -80.36024 2.17131 1.91854 -80.16472 494.83158 6995.0000 -82.31800 -80.74398 1.57402 1.89163 -80.44719 462.92807 7000.0000 -82.60718 -80.57132 2.03586 1.88106 -80.55813 440.94672 FREEZING PROCESS: loop number 29 T-loop= 435.00000000000000 main_MD> interactions number 29 at Temperature= 435.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.92969 1.61820 5.10351 force_rgl> df(natom) 2.10113 -1.99496 -5.71524 7005.0000 -82.69464 -80.86788 1.82676 1.87279 -80.64496 449.81819 7010.0000 -82.92482 -80.81854 2.10628 1.84264 -80.96129 438.90279 7015.0000 -82.88285 -80.99462 1.88823 1.85088 -80.87483 432.25862 7020.0000 -82.54964 -80.78380 1.76584 1.89318 -80.43088 488.39504 7025.0000 -82.97857 -80.89202 2.08654 1.85699 -80.81077 448.87290 7030.0000 -82.76976 -81.00831 1.76145 1.83418 -81.05014 442.17696 7035.0000 -83.14432 -81.31271 1.83161 1.81722 -81.22817 413.69206 7040.0000 -82.82527 -81.17609 1.64918 1.79035 -81.51008 386.54155 7045.0000 -83.24876 -81.31351 1.93525 1.80361 -81.37095 424.10623 7050.0000 -83.13081 -81.02127 2.10954 1.80542 -81.35196 401.40466 7055.0000 -82.92733 -81.39693 1.53040 1.82698 -81.12572 438.33964 7060.0000 -83.07517 -80.81094 2.26423 1.80744 -81.33081 390.23278 7065.0000 -82.88765 -81.01433 1.87332 1.82014 -81.19745 410.95487 7070.0000 -83.23095 -81.29049 1.94046 1.84034 -80.98552 437.17307 7075.0000 -82.97278 -81.00535 1.96744 1.82488 -81.14770 421.75638 7080.0000 -82.58618 -80.52312 2.06306 1.89838 -80.37638 487.02665 7085.0000 -82.07021 -80.24281 1.82740 1.86893 -80.68541 467.08199 7090.0000 -82.48642 -80.45782 2.02860 1.89120 -80.45168 485.83832 7095.0000 -82.75127 -80.74079 2.01048 1.87102 -80.66347 458.75322 7100.0000 -82.37694 -80.34478 2.03216 1.89448 -80.41731 480.49243 7105.0000 -82.01670 -80.29675 1.71995 1.91572 -80.19432 496.95576 7110.0000 -82.63683 -80.82847 1.80836 1.85085 -80.87518 429.44255 7115.0000 -82.98158 -81.12587 1.85572 1.85129 -80.87054 428.61320 7120.0000 -82.57667 -80.62251 1.95416 1.86634 -80.71256 474.11601 7125.0000 -83.16640 -81.42251 1.74389 1.84541 -80.93231 451.80743 7130.0000 -82.50346 -80.47870 2.02476 1.83637 -81.02714 458.55978 7135.0000 -82.37196 -80.81185 1.56011 1.88689 -80.49691 489.26670 7140.0000 -83.23702 -81.47950 1.75752 1.82989 -81.09517 421.60562 7145.0000 -83.03768 -80.88709 2.15059 1.80459 -81.36068 414.23473 7150.0000 -83.59380 -81.82169 1.77212 1.80967 -81.30731 409.00249 7155.0000 -83.27316 -81.54736 1.72580 1.78926 -81.52161 392.15338 7160.0000 -82.94714 -81.15004 1.79710 1.76646 -81.76085 374.52245 7165.0000 -83.34070 -80.82855 2.51216 1.86876 -80.68720 464.64808 7170.0000 -82.68793 -80.56012 2.12781 1.87228 -80.65027 468.43150 7175.0000 -82.62957 -80.82031 1.80926 1.84886 -80.89603 420.83848 7180.0000 -82.65424 -80.44356 2.21068 1.88298 -80.53801 461.33915 7185.0000 -83.23738 -81.03775 2.19963 1.86691 -80.70660 484.15371 7190.0000 -83.54407 -81.77867 1.76540 1.80314 -81.37591 406.36929 7195.0000 -83.07350 -81.33095 1.74255 1.75775 -81.85223 363.90484 7200.0000 -83.35053 -81.90285 1.44768 1.76377 -81.78907 367.83641 7205.0000 -83.46439 -81.43680 2.02760 1.76915 -81.73266 369.94192 7210.0000 -82.69007 -81.39002 1.30005 1.81354 -81.26671 410.74193 7215.0000 -82.97720 -80.79671 2.18049 1.81128 -81.29043 410.68715 7220.0000 -83.01259 -81.08241 1.93018 1.81296 -81.27281 399.43715 7225.0000 -83.49370 -81.42705 2.06665 1.80943 -81.30984 415.21804 7230.0000 -82.77085 -80.41659 2.35426 1.83511 -81.04031 453.15501 7235.0000 -82.87281 -81.07187 1.80094 1.85681 -80.81266 435.49859 7240.0000 -83.14040 -81.37713 1.76327 1.83583 -81.03278 424.11452 7245.0000 -82.95306 -81.48853 1.46454 1.80978 -81.30619 405.85307 7250.0000 -82.70994 -81.08949 1.62046 1.79951 -81.41394 361.23606 FREEZING PROCESS: loop number 30 T-loop= 410.00000000000000 main_MD> interactions number 30 at Temperature= 410.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.51360 -0.50399 -0.68295 force_rgl> df(natom) -0.49197 -0.16499 -0.10373 7255.0000 -83.29664 -81.86199 1.43465 1.77892 -81.63010 375.00790 7260.0000 -83.68605 -81.57931 2.10674 1.77925 -81.62661 376.14138 7265.0000 -83.15937 -81.44153 1.71784 1.78465 -81.56993 383.03135 7270.0000 -83.31254 -81.33223 1.98030 1.79157 -81.49728 396.39351 7275.0000 -83.14175 -81.24810 1.89365 1.82768 -81.11836 429.63712 7280.0000 -83.46590 -81.90646 1.55945 1.79562 -81.45477 403.87182 7285.0000 -83.49679 -81.52543 1.97135 1.77834 -81.63622 395.95442 7290.0000 -83.49305 -81.82666 1.66639 1.77637 -81.65685 383.15902 7295.0000 -83.31504 -81.76187 1.55316 1.78139 -81.60414 383.71991 7300.0000 -83.28661 -81.49615 1.79046 1.76908 -81.73338 384.62438 7305.0000 -83.15724 -81.57281 1.58443 1.79047 -81.50888 401.46631 7310.0000 -83.58372 -82.01252 1.57119 1.77917 -81.62745 376.77905 7315.0000 -83.61209 -81.88561 1.72649 1.77695 -81.65073 397.84335 7320.0000 -83.54897 -81.67457 1.87440 1.75369 -81.89484 359.87964 7325.0000 -83.03178 -81.76138 1.27039 1.76413 -81.78531 369.27683 7330.0000 -83.38153 -81.31493 2.06660 1.77832 -81.63635 379.26080 7335.0000 -83.24376 -81.21957 2.02419 1.80735 -81.33176 415.50069 7340.0000 -83.04736 -81.38553 1.66183 1.82095 -81.18895 425.20453 7345.0000 -83.41064 -81.29692 2.11372 1.80619 -81.34390 423.79483 7350.0000 -83.38905 -81.79926 1.58980 1.77442 -81.67733 368.37566 7355.0000 -83.17022 -81.85238 1.31784 1.77047 -81.71873 357.41928 7360.0000 -83.42737 -81.92734 1.50003 1.77862 -81.63326 371.60421 7365.0000 -82.91182 -81.52828 1.38354 1.78597 -81.55608 374.87901 7370.0000 -83.22082 -81.13327 2.08755 1.81587 -81.24224 429.32632 7375.0000 -83.38049 -81.62880 1.75169 1.79137 -81.49944 395.95586 7380.0000 -83.35951 -81.70537 1.65414 1.78714 -81.54377 391.84281 7385.0000 -83.30381 -81.64966 1.65415 1.79868 -81.42272 400.11617 7390.0000 -83.27183 -81.87254 1.39929 1.75991 -81.82964 371.50990 7395.0000 -83.28451 -81.65997 1.62454 1.78022 -81.61641 383.35819 7400.0000 -82.78241 -81.10117 1.68124 1.80586 -81.34740 395.10721 7405.0000 -83.25995 -81.13214 2.12781 1.83740 -81.01635 437.83299 7410.0000 -83.38007 -81.81798 1.56209 1.81374 -81.26463 415.92406 7415.0000 -83.46192 -81.48530 1.97662 1.81693 -81.23111 429.21413 7420.0000 -83.36748 -81.75094 1.61654 1.77857 -81.63372 386.01389 7425.0000 -83.01760 -81.36984 1.64776 1.79988 -81.41006 406.28447 7430.0000 -82.92178 -81.15990 1.76188 1.81377 -81.26437 411.65247 7435.0000 -83.08528 -81.44643 1.63885 1.80210 -81.38681 407.50488 7440.0000 -83.12504 -81.57950 1.54554 1.79208 -81.49196 372.71215 7445.0000 -83.21493 -81.83604 1.37890 1.79223 -81.49036 383.97238 7450.0000 -83.38629 -81.89373 1.49257 1.76139 -81.81406 363.46469 7455.0000 -82.89855 -81.18668 1.71187 1.80497 -81.35668 417.77613 7460.0000 -82.88760 -81.10572 1.78189 1.78564 -81.55952 383.76246 7465.0000 -83.22069 -81.39428 1.82641 1.81359 -81.26621 414.89622 7470.0000 -83.22315 -81.65383 1.56931 1.80091 -81.39933 411.66512 7475.0000 -83.45107 -81.49935 1.95171 1.77676 -81.65279 381.93789 7480.0000 -82.99343 -81.26127 1.73216 1.78708 -81.54440 389.90876 7485.0000 -82.87665 -81.18740 1.68924 1.83885 -81.00107 435.53720 7490.0000 -83.39009 -81.49281 1.89728 1.80186 -81.38936 414.13358 7495.0000 -82.65503 -80.78317 1.87185 1.82393 -81.15771 445.13213 7500.0000 -83.57498 -82.01479 1.56019 1.80416 -81.36519 398.33637 FREEZING PROCESS: loop number 31 T-loop= 385.00000000000000 main_MD> interactions number 31 at Temperature= 385.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.73536 1.78066 1.18118 force_rgl> df(natom) 1.90555 0.63771 -0.61135 7505.0000 -83.04692 -81.58884 1.45807 1.76075 -81.82083 337.73887 7510.0000 -83.64305 -82.13957 1.50348 1.74991 -81.93455 339.78367 7515.0000 -83.29010 -81.57906 1.71104 1.75883 -81.84096 363.11778 7520.0000 -83.27992 -81.58789 1.69203 1.76336 -81.79340 357.13001 7525.0000 -83.31354 -81.77604 1.53750 1.78942 -81.51989 397.16855 7530.0000 -83.16116 -81.81696 1.34420 1.76101 -81.81806 360.20602 7535.0000 -83.50272 -81.72114 1.78158 1.77538 -81.66719 371.14088 7540.0000 -83.33801 -82.12297 1.21503 1.76465 -81.77986 374.92339 7545.0000 -83.69846 -81.74052 1.95794 1.75505 -81.88058 357.83001 7550.0000 -83.54691 -81.85813 1.68878 1.77598 -81.66098 391.32946 7555.0000 -83.61291 -82.06161 1.55130 1.75010 -81.93252 365.45819 7560.0000 -83.93969 -82.08121 1.85848 1.74021 -82.03639 345.40515 7565.0000 -83.49752 -82.16093 1.33659 1.73532 -82.08770 343.21746 7570.0000 -83.66800 -82.30043 1.36757 1.71929 -82.25588 324.91180 7575.0000 -83.01308 -81.69582 1.31726 1.74521 -81.98383 349.95311 7580.0000 -83.74122 -82.05915 1.68207 1.75457 -81.88566 345.76120 7585.0000 -83.60101 -82.47737 1.12365 1.73897 -82.04939 345.61233 7590.0000 -83.72176 -82.38709 1.33466 1.68798 -82.58451 297.58271 7595.0000 -83.55963 -82.07404 1.48558 1.74291 -82.00799 356.17277 7600.0000 -83.79968 -82.09290 1.70677 1.74698 -81.96526 349.47077 7605.0000 -83.00161 -81.52104 1.48057 1.77675 -81.65289 392.10207 7610.0000 -83.28756 -81.36768 1.91988 1.81034 -81.30030 405.70310 7615.0000 -82.92768 -81.34079 1.58689 1.78313 -81.58585 375.80872 7620.0000 -82.87101 -81.25848 1.61253 1.79898 -81.41951 400.97096 7625.0000 -83.47189 -82.27211 1.19978 1.74032 -82.03523 339.18091 7630.0000 -83.75077 -82.28772 1.46305 1.74636 -81.97182 345.68620 7635.0000 -83.44011 -81.55776 1.88235 1.77186 -81.70416 381.04333 7640.0000 -83.18853 -81.43809 1.75044 1.79070 -81.50646 396.13761 7645.0000 -83.45420 -82.00998 1.44421 1.76824 -81.74215 378.60333 7650.0000 -83.21756 -81.41683 1.80072 1.77271 -81.69524 366.78112 7655.0000 -83.41310 -81.50228 1.91082 1.76600 -81.76567 369.31450 7660.0000 -83.55484 -81.39489 2.15995 1.78511 -81.56513 391.64534 7665.0000 -83.20699 -81.69106 1.51593 1.79935 -81.41564 417.88713 7670.0000 -83.43390 -81.77637 1.65753 1.76912 -81.73290 382.82279 7675.0000 -83.69239 -81.68649 2.00590 1.79816 -81.42818 406.36969 7680.0000 -83.65253 -82.31545 1.33708 1.78011 -81.61756 405.82941 7685.0000 -83.75148 -81.84929 1.90219 1.72057 -82.24251 321.67103 7690.0000 -83.30437 -81.53162 1.77275 1.76960 -81.72791 378.14061 7695.0000 -82.62090 -80.63500 1.98590 1.81680 -81.23250 423.43125 7700.0000 -83.16052 -81.22764 1.93288 1.83047 -81.08909 442.13749 7705.0000 -83.34381 -81.52899 1.81482 1.80195 -81.38838 415.46642 7710.0000 -83.16729 -81.21402 1.95326 1.80950 -81.30909 429.16928 7715.0000 -83.48887 -81.59959 1.88928 1.81170 -81.28604 441.74433 7720.0000 -83.51801 -81.98632 1.53169 1.76730 -81.75209 386.91673 7725.0000 -83.24916 -81.62836 1.62080 1.74736 -81.96127 360.84721 7730.0000 -83.45395 -81.98474 1.46922 1.75595 -81.87120 356.74008 7735.0000 -83.63538 -81.57183 2.06355 1.74941 -81.93977 354.98829 7740.0000 -83.09532 -81.32847 1.76686 1.77942 -81.62481 373.29873 7745.0000 -82.71635 -80.95208 1.76427 1.83482 -81.04346 420.88916 7750.0000 -83.56679 -81.53898 2.02781 1.82397 -81.15724 444.75980 FREEZING PROCESS: loop number 32 T-loop= 360.00000000000000 main_MD> interactions number 32 at Temperature= 360.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 0.66155 -0.90478 2.16685 force_rgl> df(natom) -0.00381 1.13334 1.67201 7755.0000 -83.52824 -82.08221 1.44602 1.74632 -81.97222 360.03696 7760.0000 -83.19627 -81.77064 1.42563 1.75430 -81.88847 360.26823 7765.0000 -83.19043 -81.65883 1.53160 1.78613 -81.55437 396.75846 7770.0000 -83.31955 -81.52601 1.79355 1.79892 -81.42023 407.04867 7775.0000 -83.33519 -81.83184 1.50335 1.75569 -81.87391 361.19100 7780.0000 -83.87531 -82.16880 1.70650 1.75946 -81.83431 354.32910 7785.0000 -83.90411 -82.16783 1.73628 1.73204 -82.12204 339.76410 7790.0000 -83.42571 -81.97770 1.44801 1.72822 -82.16222 330.25999 7795.0000 -83.68518 -82.41492 1.27026 1.72587 -82.18685 327.88722 7800.0000 -83.47081 -81.74901 1.72180 1.75768 -81.85302 363.10316 7805.0000 -83.61145 -82.23834 1.37311 1.73893 -82.04979 340.15841 7810.0000 -83.51269 -82.25693 1.25576 1.73439 -82.09740 335.58670 7815.0000 -83.25624 -81.72170 1.53453 1.74706 -81.96442 349.59698 7820.0000 -83.44716 -81.94665 1.50051 1.76866 -81.73778 380.00936 7825.0000 -83.80479 -82.20552 1.59927 1.71699 -82.28005 316.46462 7830.0000 -83.26957 -81.64820 1.62137 1.73853 -82.05398 352.57769 7835.0000 -83.05183 -81.33943 1.71240 1.77947 -81.62427 388.58772 7840.0000 -83.10402 -81.06403 2.03998 1.80439 -81.36275 412.81991 7845.0000 -82.61207 -81.05647 1.55560 1.81306 -81.27178 421.67411 7850.0000 -83.01714 -81.65369 1.36345 1.82356 -81.16158 429.56948 7855.0000 -82.91384 -81.63411 1.27974 1.77938 -81.62527 381.86551 7860.0000 -83.31875 -81.65748 1.66127 1.76720 -81.75307 362.07218 7865.0000 -83.50741 -81.79272 1.71469 1.75687 -81.86150 368.11753 7870.0000 -83.49711 -82.04951 1.44760 1.72384 -82.20819 322.13611 7875.0000 -83.31658 -81.93343 1.38314 1.75142 -81.91871 359.61042 7880.0000 -83.45092 -81.63722 1.81370 1.77660 -81.65443 384.52535 7885.0000 -83.60358 -81.83817 1.76541 1.76532 -81.77283 374.72489 7890.0000 -83.33152 -81.88655 1.44498 1.77126 -81.71044 392.57065 7895.0000 -83.05378 -81.51738 1.53640 1.76284 -81.79880 363.18182 7900.0000 -83.28772 -81.66492 1.62280 1.77421 -81.67947 367.97223 7905.0000 -83.16930 -81.05693 2.11237 1.81607 -81.24020 411.70517 7910.0000 -83.43927 -81.69790 1.74137 1.80961 -81.30794 423.74416 7915.0000 -83.43348 -81.67207 1.76141 1.76023 -81.82619 361.53034 7920.0000 -83.56998 -82.13786 1.43213 1.73699 -82.07017 341.21081 7925.0000 -83.72826 -82.28375 1.44451 1.73378 -82.10381 349.27204 7930.0000 -83.91404 -82.54153 1.37251 1.71183 -82.33423 317.71318 7935.0000 -83.55478 -82.02020 1.53458 1.71194 -82.33302 321.41494 7940.0000 -83.50963 -81.93987 1.56976 1.75789 -81.85081 371.43657 7945.0000 -83.42127 -82.01154 1.40973 1.73270 -82.11512 337.51264 7950.0000 -83.26823 -81.45950 1.80873 1.76955 -81.72846 379.02566 7955.0000 -83.12458 -81.36345 1.76113 1.80509 -81.35538 429.42767 7960.0000 -83.62102 -82.21435 1.40667 1.75696 -81.86054 361.65566 7965.0000 -83.45274 -81.77835 1.67440 1.73322 -82.10976 335.68142 7970.0000 -83.66379 -82.05578 1.60801 1.74784 -81.95627 356.56250 7975.0000 -83.26183 -81.64975 1.61208 1.75213 -81.91129 347.00525 7980.0000 -83.33418 -81.60119 1.73299 1.78220 -81.59564 383.63726 7985.0000 -83.33941 -81.69873 1.64068 1.77940 -81.62506 382.06908 7990.0000 -83.27676 -81.70929 1.56748 1.76593 -81.76636 371.09442 7995.0000 -83.62734 -82.15805 1.46929 1.74893 -81.94488 346.16101 8000.0000 -83.50046 -82.17302 1.32744 1.72779 -82.16668 312.93722 FREEZING PROCESS: loop number 33 T-loop= 335.00000000000000 main_MD> interactions number 33 at Temperature= 335.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) -0.53711 -0.56236 -1.91459 force_rgl> df(natom) -1.95432 -2.10853 -1.96448 8005.0000 -83.52884 -82.09395 1.43489 1.74888 -81.94538 356.41540 8010.0000 -83.80475 -82.32380 1.48096 1.72321 -82.21477 326.90328 8015.0000 -83.82674 -82.40351 1.42323 1.72400 -82.20646 325.52489 8020.0000 -83.91734 -82.25120 1.66613 1.73760 -82.06374 343.52257 8025.0000 -83.73519 -82.45047 1.28472 1.72235 -82.22374 326.17537 8030.0000 -83.77319 -82.25721 1.51599 1.70977 -82.35579 316.97945 8035.0000 -83.79041 -82.55597 1.23444 1.70664 -82.38865 305.73289 8040.0000 -83.71829 -82.46640 1.25189 1.70105 -82.44733 302.50701 8045.0000 -83.65579 -81.96378 1.69201 1.71517 -82.29916 322.49105 8050.0000 -83.77491 -82.15347 1.62145 1.71041 -82.34905 312.50600 8055.0000 -83.54081 -82.02578 1.51503 1.72285 -82.21858 325.44421 8060.0000 -83.46519 -81.90697 1.55821 1.74601 -81.97552 332.64602 8065.0000 -83.43196 -82.07262 1.35934 1.73359 -82.10588 331.25213 8070.0000 -83.70650 -82.21643 1.49007 1.71869 -82.26225 307.64393 8075.0000 -83.71903 -82.06261 1.65642 1.72308 -82.21616 305.80921 8080.0000 -83.55792 -82.01620 1.54172 1.73652 -82.07503 331.87725 8085.0000 -83.56996 -82.27396 1.29599 1.72811 -82.16337 336.88511 8090.0000 -83.70933 -82.50427 1.20505 1.70714 -82.38343 311.83406 8095.0000 -83.64996 -81.88903 1.76093 1.73999 -82.03867 331.74510 8100.0000 -83.84349 -82.54248 1.30101 1.71808 -82.26862 311.59076 8105.0000 -83.87609 -82.48032 1.39577 1.69615 -82.49876 285.93674 8110.0000 -83.25253 -81.74789 1.50464 1.72062 -82.24195 310.58940 8115.0000 -83.55742 -82.03734 1.52008 1.74872 -81.94701 346.61415 8120.0000 -83.73647 -82.12178 1.61469 1.74051 -82.03324 348.82549 8125.0000 -83.26740 -81.94010 1.32730 1.75324 -81.89960 348.45258 8130.0000 -83.29360 -81.94972 1.34388 1.75626 -81.86786 356.17160 8135.0000 -83.72771 -81.98386 1.74385 1.73167 -82.12595 330.63511 8140.0000 -83.81987 -82.47350 1.34637 1.74206 -82.01697 351.34164 8145.0000 -82.88574 -81.40738 1.47836 1.75555 -81.87535 371.86490 8150.0000 -83.45222 -81.90580 1.54642 1.74213 -82.01615 350.64846 8155.0000 -83.35575 -82.28605 1.06969 1.73151 -82.12766 332.45832 8160.0000 -83.63811 -81.83627 1.80184 1.74385 -81.99812 348.30768 8165.0000 -83.12140 -81.46216 1.65924 1.80329 -81.37431 410.77769 8170.0000 -83.26200 -81.61588 1.64611 1.77510 -81.67023 369.65612 8175.0000 -83.59798 -82.10450 1.49348 1.75565 -81.87435 347.28355 8180.0000 -83.80611 -82.02911 1.77700 1.74896 -81.94456 357.05793 8185.0000 -83.82932 -82.35117 1.47814 1.73642 -82.07610 339.12324 8190.0000 -83.73757 -82.60060 1.13697 1.70288 -82.42816 302.73683 8195.0000 -83.77056 -82.48725 1.28331 1.71638 -82.28644 325.35174 8200.0000 -83.94551 -82.75785 1.18767 1.69698 -82.49000 307.98086 8205.0000 -83.89271 -82.56765 1.32507 1.69395 -82.52182 305.30366 8210.0000 -83.87107 -82.41840 1.45267 1.69410 -82.52030 301.46651 8215.0000 -83.75697 -82.24493 1.51204 1.70809 -82.37345 311.45246 8220.0000 -83.58159 -81.47310 2.10849 1.73812 -82.05823 343.43967 8225.0000 -83.47316 -81.96034 1.51282 1.77821 -81.63758 385.22448 8230.0000 -82.90325 -81.18431 1.71893 1.78966 -81.51731 400.98650 8235.0000 -83.61183 -82.06012 1.55171 1.78788 -81.53609 400.73986 8240.0000 -83.87998 -82.29751 1.58247 1.72914 -82.15257 339.03949 8245.0000 -83.58674 -82.03792 1.54882 1.71456 -82.30557 316.74781 8250.0000 -83.34430 -81.86214 1.48216 1.74361 -82.00068 340.11375 FREEZING PROCESS: loop number 34 T-loop= 310.00000000000000 main_MD> interactions number 34 at Temperature= 310.00000000000000 force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205 force_rgl> df(1) 1.55493 0.51556 0.78565 force_rgl> df(natom) -0.69190 -1.47718 -1.32265 8255.0000 -83.45985 -82.20444 1.25541 1.76518 -81.77431 371.93436 8260.0000 -83.79649 -82.39846 1.39802 1.72794 -82.16516 339.85039 8265.0000 -83.96717 -82.65750 1.30967 1.69588 -82.50156 297.28808 8270.0000 -83.52145 -82.15489 1.36657 1.69161 -82.54639 299.71674 8275.0000 -83.67600 -82.44047 1.23552 1.70879 -82.36610 310.68186 8280.0000 -83.97274 -82.51415 1.45859 1.70883 -82.36571 318.75885 8285.0000 -83.65658 -82.09151 1.56507 1.71488 -82.30217 325.11595 8290.0000 -83.29704 -81.55613 1.74091 1.76331 -81.79390 375.84880 8295.0000 -83.60057 -81.95791 1.64266 1.76747 -81.75020 367.15781 8300.0000 -83.69319 -82.06795 1.62524 1.77111 -81.71207 362.99107 8305.0000 -83.67255 -82.00499 1.66756 1.73374 -82.10423 321.41943 8310.0000 -83.80294 -82.02444 1.77850 1.75518 -81.87924 348.93510 8315.0000 -83.52951 -82.30290 1.22662 1.71566 -82.29399 318.74654 8320.0000 -83.73241 -82.51218 1.22023 1.68528 -82.61286 288.60350 8325.0000 -83.81658 -82.44806 1.36851 1.70256 -82.43144 307.50721 8330.0000 -84.08994 -82.60445 1.48550 1.69740 -82.48564 297.13199 8335.0000 -83.94134 -82.48389 1.45745 1.68548 -82.61074 284.95310 8340.0000 -83.81639 -82.14871 1.66767 1.73750 -82.06479 343.63792 8345.0000 -83.55718 -82.49855 1.05862 1.71639 -82.28634 314.36068 8350.0000 -83.88251 -82.34158 1.54094 1.68746 -82.59002 286.13041 8355.0000 -83.58172 -81.80816 1.77356 1.73888 -82.05027 340.03966 8360.0000 -83.91845 -82.51445 1.40399 1.72202 -82.22725 328.10712 8365.0000 -83.96709 -82.30143 1.66566 1.69940 -82.46460 302.34893 8370.0000 -83.79843 -82.45698 1.34145 1.71538 -82.29691 316.75757 8375.0000 -83.63264 -82.26003 1.37262 1.71559 -82.29476 305.57215 8380.0000 -83.78251 -82.36598 1.41654 1.70304 -82.42649 295.48057 8385.0000 -83.69434 -82.49034 1.20400 1.71266 -82.32554 316.18362 8390.0000 -83.73444 -82.35009 1.38434 1.70048 -82.45333 282.98904 8395.0000 -83.85594 -82.49389 1.36205 1.70805 -82.37385 308.48194 8400.0000 -83.73032 -82.53008 1.20025 1.68053 -82.66275 278.80557 8405.0000 -83.17044 -81.71298 1.45746 1.72975 -82.14608 308.37286 8410.0000 -83.27986 -81.60836 1.67150 1.79031 -81.51058 386.27565 8415.0000 -83.57877 -82.38368 1.19509 1.74215 -82.01602 347.07228 8420.0000 -83.96817 -82.66319 1.30498 1.68240 -82.64308 285.50580 8425.0000 -83.81593 -82.49415 1.32178 1.68034 -82.66467 283.83496 8430.0000 -83.68893 -82.22017 1.46877 1.71942 -82.25459 321.39073 8435.0000 -83.66203 -82.34482 1.31721 1.72591 -82.18640 330.16791 8440.0000 -83.56480 -82.14664 1.41816 1.71908 -82.25815 321.90497 8445.0000 -83.82019 -82.64510 1.17508 1.69801 -82.47926 303.38647 8450.0000 -83.90556 -82.52425 1.38131 1.68200 -82.64730 285.92198 8455.0000 -84.00590 -82.70721 1.29869 1.68880 -82.57586 290.41265 8460.0000 -84.17099 -82.92483 1.24615 1.66017 -82.87638 257.62292 8465.0000 -83.70792 -82.72877 0.97916 1.68337 -82.63291 281.37204 8470.0000 -83.58984 -82.31120 1.27864 1.70010 -82.45734 303.60437 8475.0000 -83.75279 -82.41149 1.34130 1.73468 -82.09442 348.93384 8480.0000 -83.80170 -82.51540 1.28630 1.70186 -82.43884 305.73025 8485.0000 -83.64131 -82.45053 1.19078 1.70474 -82.40860 304.15471 8490.0000 -83.62639 -82.22471 1.40168 1.70106 -82.44725 301.85961 8495.0000 -83.57253 -82.11896 1.45357 1.72308 -82.21615 335.72669 8500.0000 -83.66283 -82.21854 1.44430 1.73911 -82.04795 339.20582 main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 52.2622896 [s]. main_MD> Deallocating global variables