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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_33/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_33.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 33 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 33 3300
main_MD> Size of nv and nvoiz: 33 3300
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 33
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.13824429828339152 -8.5013247008980816E-002 -0.22435775110648934 initial drift of cluster / NP1 for coalescence
init> 0.40971045321943866 0.31606436152233530 0.25569879751946994 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5608932621088362E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97784 -5.12528 -0.31201
force_rgl> df(natom) -1.12799 -1.35237 -0.45658
preparo> THERMALIZATION PROCESS AT 1097.6475632488600
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -71.794730308467109 3.7229705931876307 -75.517700901654734 5.5331295083894201E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 32
FREEZING PROCESS: loop number 1 T-loop= 1075.0000000000000
main_MD> interactions number 1 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03356 -0.77702 -1.98090
force_rgl> df(natom) -0.77055 -0.45107 -1.56198
5.0000 -75.52367 -71.04664 4.47703 2.55253 -71.08883 1047.89437
10.0000 -75.77579 -70.96630 4.80949 2.58442 -70.76081 1055.39067
15.0000 -75.82356 -71.55059 4.27297 2.56650 -70.94512 1128.38736
20.0000 -73.81358 -69.98930 3.82428 2.56538 -70.95663 1049.64366
25.0000 -75.15491 -70.19266 4.96225 2.66951 -69.88530 1102.04385
30.0000 -74.99859 -69.47559 5.52300 2.63159 -70.27551 1151.54726
35.0000 -76.11174 -71.29435 4.81739 2.63824 -70.20702 1133.26858
40.0000 -75.42309 -71.71563 3.70746 2.54778 -71.13776 1001.92867
45.0000 -74.32859 -69.93530 4.39328 2.66572 -69.92433 1154.52647
50.0000 -75.46900 -70.39131 5.07769 2.63784 -70.21115 1141.00712
55.0000 -75.70280 -71.13607 4.56673 2.58285 -70.77688 1101.69045
60.0000 -76.40950 -72.20457 4.20493 2.51037 -71.52265 1055.79367
65.0000 -74.74035 -70.87099 3.86936 2.58690 -70.73525 1087.10561
70.0000 -77.07922 -71.89063 5.18858 2.46009 -72.03996 1002.18526
75.0000 -76.54480 -72.10539 4.43941 2.43814 -72.26578 979.88654
80.0000 -74.65531 -69.63291 5.02240 2.56242 -70.98708 1104.23613
85.0000 -76.10719 -72.23770 3.86949 2.56766 -70.93324 1089.42133
90.0000 -74.22455 -69.40937 4.81518 2.50909 -71.53577 1040.85935
95.0000 -75.81092 -70.44482 5.36611 2.60668 -70.53171 1151.02158
100.0000 -76.07267 -71.61297 4.45971 2.58241 -70.78141 1074.99145
105.0000 -76.05417 -71.32022 4.73396 2.51197 -71.50613 1048.03660
110.0000 -75.91732 -71.04503 4.87229 2.55429 -71.07071 1090.54193
115.0000 -75.14344 -70.29831 4.84514 2.62351 -70.35858 1103.26582
120.0000 -76.47482 -72.75131 3.72351 2.51885 -71.43537 1039.10838
125.0000 -76.49361 -72.06234 4.43128 2.40239 -72.63357 985.96699
130.0000 -75.54438 -69.93359 5.61080 2.46087 -72.03192 1034.13153
135.0000 -74.75640 -70.01440 4.74200 2.60602 -70.53854 1106.43176
140.0000 -73.86256 -68.98874 4.87381 2.67196 -69.86011 1160.41217
145.0000 -74.75057 -69.77145 4.97912 2.65664 -70.01778 1164.28985
150.0000 -77.28712 -71.42332 5.86380 2.55532 -71.06016 1104.29311
155.0000 -76.47420 -72.25921 4.21498 2.50203 -71.60840 1017.30048
160.0000 -76.13836 -72.38595 3.75241 2.46202 -72.02001 983.94379
165.0000 -76.06302 -71.51486 4.54817 2.43918 -72.25500 1016.95553
170.0000 -75.40191 -70.75523 4.64668 2.55861 -71.02627 1105.69787
175.0000 -76.63674 -72.20059 4.43615 2.53309 -71.28890 1092.39693
180.0000 -74.95239 -70.78808 4.16431 2.47679 -71.86815 1009.95665
185.0000 -73.78644 -68.69461 5.09183 2.72855 -69.27795 1186.23810
190.0000 -75.47667 -69.18175 6.29492 2.73224 -69.23992 1202.32376
195.0000 -75.56560 -70.60989 4.95571 2.66740 -69.90701 1230.78601
200.0000 -75.75090 -71.51374 4.23717 2.61496 -70.44659 1114.24225
205.0000 -74.54718 -70.31053 4.23665 2.61545 -70.44151 1162.90406
210.0000 -75.96917 -70.83517 5.13400 2.56293 -70.98192 1160.60587
215.0000 -75.11607 -70.47462 4.64145 2.58333 -70.77201 1101.73246
220.0000 -75.25707 -70.28866 4.96841 2.60221 -70.57776 1150.52423
225.0000 -73.55805 -69.15401 4.40404 2.71439 -69.42363 1182.71722
230.0000 -75.70322 -71.12931 4.57391 2.53912 -71.22680 1033.26555
235.0000 -74.87017 -69.97535 4.89483 2.67325 -69.84685 1188.06447
240.0000 -76.45527 -72.34681 4.10847 2.66668 -69.91444 1193.27907
245.0000 -77.66502 -74.13604 3.52898 2.39309 -72.72928 957.51364
250.0000 -76.66020 -72.29757 4.36263 2.32239 -73.45664 900.37808
FREEZING PROCESS: loop number 2 T-loop= 1050.0000000000000
main_MD> interactions number 2 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.46279 0.60230 -0.70717
force_rgl> df(natom) -1.26520 -0.32763 0.91881
255.0000 -77.01714 -72.00311 5.01403 2.37991 -72.86482 968.05280
260.0000 -77.23215 -73.07912 4.15303 2.38853 -72.77610 934.76391
265.0000 -75.59098 -72.93450 2.65648 2.40796 -72.57620 924.44825
270.0000 -76.14039 -71.43507 4.70532 2.49372 -71.69387 1048.93875
275.0000 -75.32056 -71.16314 4.15742 2.55045 -71.11023 1021.89368
280.0000 -73.64680 -69.19378 4.45302 2.65623 -70.02195 1129.68725
285.0000 -75.60444 -69.98701 5.61743 2.69047 -69.66966 1166.60642
290.0000 -76.82504 -72.60128 4.22376 2.55188 -71.09559 1069.52250
295.0000 -76.68985 -72.41194 4.27791 2.47819 -71.85371 1045.21811
300.0000 -73.89852 -69.94030 3.95822 2.55437 -71.06993 1051.42689
305.0000 -75.21330 -70.52695 4.68635 2.68715 -69.70389 1169.46282
310.0000 -76.23184 -71.56025 4.67159 2.60769 -70.52138 1159.73821
315.0000 -76.08476 -70.09996 5.98480 2.51569 -71.46787 1036.94492
320.0000 -75.45558 -70.33128 5.12430 2.62755 -70.31700 1143.31315
325.0000 -75.72720 -71.30507 4.42213 2.59105 -70.69259 1083.13845
330.0000 -75.06463 -70.33000 4.73463 2.59031 -70.70013 1112.40679
335.0000 -74.78769 -71.15795 3.62973 2.61941 -70.40076 1158.97172
340.0000 -74.55588 -70.57570 3.98019 2.63472 -70.24325 1132.01102
345.0000 -76.15930 -71.56888 4.59042 2.56797 -70.92997 1090.75203
350.0000 -76.38247 -71.60160 4.78088 2.45638 -72.07809 1017.71151
355.0000 -75.85336 -72.05254 3.80082 2.48181 -71.81642 1002.53275
360.0000 -76.90016 -72.05458 4.84558 2.46778 -71.96078 989.78388
365.0000 -75.72737 -72.50645 3.22092 2.44416 -72.20383 938.53258
370.0000 -76.18675 -71.92734 4.25941 2.44187 -72.22737 1005.40056
375.0000 -76.08807 -71.59348 4.49459 2.50659 -71.56149 1019.18908
380.0000 -74.05350 -70.54935 3.50415 2.55289 -71.08517 1084.09118
385.0000 -76.46700 -71.22749 5.23951 2.60667 -70.53185 1139.57585
390.0000 -75.72309 -71.34144 4.38165 2.46499 -71.98947 1045.57867
395.0000 -77.20793 -72.90994 4.29799 2.43359 -72.31259 969.35265
400.0000 -76.00402 -71.28986 4.71415 2.42923 -72.35737 973.68273
405.0000 -75.24057 -71.00529 4.23529 2.56833 -70.92628 1082.47448
410.0000 -77.41953 -73.30624 4.11329 2.45014 -72.14227 1011.60466
415.0000 -76.46949 -72.99902 3.47048 2.35532 -73.11782 921.43479
420.0000 -75.67015 -71.19629 4.47386 2.45747 -72.06684 1009.51989
425.0000 -75.12472 -71.59213 3.53259 2.56609 -70.94936 1115.90298
430.0000 -77.01103 -72.19734 4.81369 2.46056 -72.03511 986.03470
435.0000 -77.18833 -71.43811 5.75021 2.46170 -72.02331 967.98440
440.0000 -74.76480 -70.44774 4.31706 2.55367 -71.07715 1028.10334
445.0000 -74.54744 -69.47500 5.07244 2.61321 -70.46455 1110.89209
450.0000 -75.68685 -72.20579 3.48106 2.54638 -71.15212 1023.63888
455.0000 -76.11170 -72.23742 3.87428 2.43092 -72.34005 954.03105
460.0000 -75.74015 -71.99048 3.74967 2.45856 -72.05567 990.45870
465.0000 -77.10322 -72.99178 4.11144 2.41664 -72.48694 971.12932
470.0000 -76.39399 -71.77980 4.61419 2.49134 -71.71844 1051.45736
475.0000 -76.33592 -72.20734 4.12857 2.46987 -71.93930 996.09787
480.0000 -76.21782 -71.58420 4.63362 2.45141 -72.12920 1015.58001
485.0000 -77.63263 -73.02434 4.60829 2.43101 -72.33908 992.87317
490.0000 -76.24968 -72.65044 3.59923 2.38561 -72.80617 966.80552
495.0000 -74.99342 -70.93247 4.06095 2.51915 -71.43225 1002.09081
500.0000 -76.10318 -71.65829 4.44488 2.55917 -71.02056 1077.56674
FREEZING PROCESS: loop number 3 T-loop= 1025.0000000000000
main_MD> interactions number 3 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78797 0.09656 2.20240
force_rgl> df(natom) -6.98848 -2.14068 1.95825
505.0000 -75.87978 -71.00303 4.87675 2.50491 -71.57875 1005.25078
510.0000 -76.18891 -71.77031 4.41860 2.52712 -71.35031 1031.36719
515.0000 -76.48108 -71.71045 4.77062 2.58668 -70.73755 1103.29674
520.0000 -75.24337 -70.70477 4.53861 2.56408 -70.96999 1067.01637
525.0000 -76.50269 -70.94777 5.55493 2.56288 -70.98243 1063.80258
530.0000 -75.82250 -72.05060 3.77190 2.49111 -71.72075 1007.88645
535.0000 -76.01879 -70.93619 5.08260 2.56343 -70.97673 1038.26661
540.0000 -76.20279 -70.99427 5.20852 2.50570 -71.57067 975.77529
545.0000 -75.87977 -70.68931 5.19046 2.61157 -70.48140 1143.90813
550.0000 -76.46278 -72.20872 4.25406 2.48423 -71.79155 1027.57927
555.0000 -75.14752 -71.30408 3.84344 2.53174 -71.30279 1092.57321
560.0000 -76.26803 -71.54425 4.72379 2.49321 -71.69919 1026.30035
565.0000 -75.76345 -71.25663 4.50682 2.53884 -71.22971 1066.36502
570.0000 -76.01418 -71.63235 4.38183 2.53518 -71.26736 1017.01367
575.0000 -75.00243 -70.96601 4.03643 2.53642 -71.25462 1031.98154
580.0000 -74.76337 -71.02640 3.73697 2.56931 -70.91627 1030.13726
585.0000 -76.37884 -72.25263 4.12621 2.47729 -71.86296 1001.35211
590.0000 -76.33783 -73.26596 3.07187 2.33100 -73.36806 853.96161
595.0000 -76.26332 -72.62292 3.64039 2.43781 -72.26916 982.52134
600.0000 -75.32339 -71.57331 3.75008 2.46833 -71.95513 988.66366
605.0000 -75.93922 -72.22696 3.71225 2.47360 -71.90092 992.65834
610.0000 -76.11556 -72.29850 3.81706 2.46484 -71.99105 997.27601
615.0000 -74.88686 -71.01352 3.87334 2.51053 -71.52101 1033.76732
620.0000 -75.37502 -70.62364 4.75138 2.62208 -70.37336 1101.69948
625.0000 -74.37852 -68.91133 5.46719 2.65831 -70.00059 1165.38178
630.0000 -74.02449 -69.54194 4.48256 2.74070 -69.15291 1264.90334
635.0000 -74.72945 -69.20184 5.52761 2.74490 -69.10968 1218.69199
640.0000 -76.65143 -71.31443 5.33699 2.61165 -70.48067 1131.13087
645.0000 -76.48418 -71.56058 4.92360 2.48006 -71.83448 1031.20290
650.0000 -76.17066 -70.93205 5.23860 2.54641 -71.15184 1076.37885
655.0000 -76.41586 -73.01984 3.39602 2.43474 -72.30071 941.22894
660.0000 -77.44249 -72.71823 4.72427 2.39322 -72.72788 907.67893
665.0000 -76.61807 -71.41254 5.20553 2.43824 -72.26470 972.84028
670.0000 -76.99875 -72.57913 4.41962 2.36997 -72.96713 917.40880
675.0000 -75.73761 -71.99990 3.73771 2.43288 -72.31987 935.69620
680.0000 -75.20340 -71.02747 4.17593 2.53547 -71.26443 1042.25970
685.0000 -76.30390 -71.72655 4.57735 2.53922 -71.22576 1066.21241
690.0000 -75.44363 -71.86476 3.57886 2.46316 -72.00833 978.59765
695.0000 -75.47055 -70.48230 4.98826 2.57061 -70.90289 1108.22961
700.0000 -75.98714 -72.24459 3.74256 2.53484 -71.27085 1095.80680
705.0000 -75.14623 -69.66043 5.48580 2.55769 -71.03581 1102.28570
710.0000 -76.35245 -72.36751 3.98494 2.57280 -70.88032 1055.24373
715.0000 -76.30778 -71.20342 5.10436 2.48565 -71.77697 1013.54436
720.0000 -74.70025 -71.09888 3.60137 2.51422 -71.48298 1084.75394
725.0000 -76.57870 -72.90014 3.67857 2.39304 -72.72973 954.68791
730.0000 -76.21116 -71.01428 5.19688 2.50729 -71.55427 1050.07140
735.0000 -76.29731 -71.76241 4.53490 2.57082 -70.90070 1109.90607
740.0000 -76.08810 -72.59775 3.49035 2.47129 -71.92471 1005.16713
745.0000 -76.91308 -73.60222 3.31087 2.35989 -73.07078 924.87111
750.0000 -76.93405 -71.63437 5.29968 2.36518 -73.01641 884.11033
FREEZING PROCESS: loop number 4 T-loop= 1000.0000000000000
main_MD> interactions number 4 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83742 0.81845 1.64042
force_rgl> df(natom) -2.65468 2.38502 0.97026
755.0000 -76.45448 -71.64715 4.80734 2.45912 -72.04992 997.96932
760.0000 -76.46561 -72.87725 3.58836 2.52847 -71.33641 1016.09065
765.0000 -75.57332 -71.80967 3.76365 2.39492 -72.71045 918.61875
770.0000 -76.27584 -71.87288 4.40296 2.47114 -71.92618 980.52230
775.0000 -76.20530 -70.93593 5.26938 2.56557 -70.95470 1084.76467
780.0000 -75.24742 -70.45117 4.79625 2.55693 -71.04362 1046.23440
785.0000 -75.52104 -70.91575 4.60528 2.54203 -71.19688 1033.34058
790.0000 -77.48373 -73.85354 3.63019 2.38804 -72.78122 920.47627
795.0000 -76.50375 -72.69327 3.81048 2.36106 -73.05871 899.37053
800.0000 -77.78579 -73.51988 4.26591 2.35535 -73.11750 909.50758
805.0000 -75.80006 -72.61080 3.18926 2.37244 -72.94163 917.73224
810.0000 -76.34733 -72.45941 3.88792 2.37610 -72.90403 916.19879
815.0000 -75.15296 -71.40067 3.75229 2.45288 -72.11410 995.68133
820.0000 -76.44476 -71.86153 4.58323 2.49875 -71.64220 1038.05803
825.0000 -77.50920 -71.85838 5.65082 2.51080 -71.51822 1047.35595
830.0000 -75.19092 -69.35493 5.83599 2.54540 -71.16225 1041.80508
835.0000 -75.20872 -69.98767 5.22104 2.67107 -69.86928 1197.12003
840.0000 -75.36096 -70.92154 4.43942 2.52643 -71.35736 1062.02028
845.0000 -76.74317 -71.40134 5.34183 2.52075 -71.41585 1067.95246
850.0000 -76.43179 -72.13802 4.29377 2.44801 -72.16419 993.72378
855.0000 -76.33026 -72.07573 4.25453 2.42575 -72.39322 974.22744
860.0000 -75.40433 -71.12299 4.28133 2.47908 -71.84457 1010.90874
865.0000 -75.20453 -70.95146 4.25307 2.54721 -71.14362 1042.58820
870.0000 -76.36772 -72.25091 4.11681 2.50246 -71.60395 989.15888
875.0000 -75.64358 -71.71302 3.93056 2.48923 -71.74012 997.81326
880.0000 -76.20801 -71.41475 4.79326 2.48873 -71.74523 1003.13404
885.0000 -75.62003 -71.76458 3.85545 2.48638 -71.76948 1043.79755
890.0000 -75.34211 -71.52646 3.81564 2.56945 -70.91484 1070.78118
895.0000 -76.67519 -71.77396 4.90124 2.48715 -71.76152 1013.53586
900.0000 -77.11704 -73.08376 4.03328 2.38631 -72.79893 914.87012
905.0000 -77.18164 -72.65366 4.52799 2.37730 -72.89167 908.64956
910.0000 -76.55190 -71.76727 4.78463 2.37470 -72.91841 936.23676
915.0000 -76.09540 -71.69902 4.39638 2.50870 -71.53983 1024.88303
920.0000 -75.80633 -70.71924 5.08709 2.53330 -71.28675 1080.36268
925.0000 -73.81286 -69.01603 4.79683 2.66299 -69.95244 1145.00526
930.0000 -76.11490 -71.55405 4.56085 2.67418 -69.83727 1190.02584
935.0000 -75.07695 -71.66363 3.41333 2.47710 -71.86486 1005.43692
940.0000 -75.13808 -71.18967 3.94841 2.53912 -71.22683 1039.76016
945.0000 -75.56887 -71.43238 4.13649 2.56262 -70.98505 1044.41079
950.0000 -76.97577 -72.96887 4.00690 2.43462 -72.30198 944.41647
955.0000 -76.98693 -72.66087 4.32606 2.47285 -71.90869 1009.35133
960.0000 -75.98717 -71.96750 4.01966 2.44952 -72.14870 1002.22702
965.0000 -75.78303 -70.92123 4.86180 2.49271 -71.70430 997.09275
970.0000 -76.96924 -73.00184 3.96740 2.49852 -71.64457 1001.19029
975.0000 -76.55986 -72.05377 4.50608 2.41194 -72.53528 941.63350
980.0000 -76.09821 -71.82387 4.27434 2.44205 -72.22549 967.19652
985.0000 -76.41129 -72.11782 4.29347 2.45398 -72.10281 999.00232
990.0000 -76.42944 -71.72212 4.70732 2.49425 -71.68845 1004.07416
995.0000 -75.46791 -69.83904 5.62887 2.55590 -71.05415 1088.59445
1000.0000 -75.53998 -72.26387 3.27611 2.57134 -70.89538 1054.93692
FREEZING PROCESS: loop number 5 T-loop= 975.00000000000000
main_MD> interactions number 5 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10766 -0.31175 2.39244
force_rgl> df(natom) -2.31267 1.80920 0.00828
1005.0000 -77.34991 -73.35995 3.98997 2.41578 -72.49577 963.66742
1010.0000 -76.48272 -73.01319 3.46954 2.37917 -72.87242 965.70472
1015.0000 -76.29229 -72.06530 4.22700 2.47185 -71.91888 1003.20437
1020.0000 -76.47491 -72.43240 4.04251 2.46565 -71.98268 957.04727
1025.0000 -75.82996 -70.94543 4.88453 2.51710 -71.45340 1055.53822
1030.0000 -76.25700 -71.98094 4.27607 2.54832 -71.13214 1062.32872
1035.0000 -76.54656 -72.19626 4.35030 2.47824 -71.85315 1017.71626
1040.0000 -77.54931 -72.82060 4.72870 2.43460 -72.30216 962.16125
1045.0000 -76.54241 -72.06655 4.47586 2.32675 -73.41178 887.41841
1050.0000 -76.83936 -72.28187 4.55749 2.49239 -71.70763 1027.20572
1055.0000 -77.29840 -73.18266 4.11574 2.38009 -72.86294 937.90550
1060.0000 -76.27102 -72.50144 3.76958 2.35183 -73.15376 877.56514
1065.0000 -77.45587 -73.16372 4.29215 2.37575 -72.90758 912.79085
1070.0000 -76.32860 -73.03705 3.29155 2.37522 -72.91303 989.83434
1075.0000 -77.61739 -72.87702 4.74037 2.42414 -72.40974 929.44714
1080.0000 -75.95362 -72.21918 3.73444 2.37996 -72.86434 930.21240
1085.0000 -74.79285 -70.80223 3.99062 2.50675 -71.55991 1026.22926
1090.0000 -75.96473 -71.57897 4.38576 2.50448 -71.58323 1001.87192
1095.0000 -75.65938 -71.21604 4.44333 2.53065 -71.31399 1010.87214
1100.0000 -77.13291 -72.43791 4.69500 2.43929 -72.25388 971.32166
1105.0000 -75.66115 -71.61599 4.04516 2.48299 -71.80430 976.17279
1110.0000 -76.96615 -72.24881 4.71734 2.46307 -72.00927 968.94562
1115.0000 -77.21987 -73.00442 4.21545 2.39574 -72.70194 960.51070
1120.0000 -76.19312 -72.99897 3.19416 2.35048 -73.16759 891.57426
1125.0000 -75.80402 -71.47934 4.32468 2.43611 -72.28665 976.10290
1130.0000 -76.01015 -71.52555 4.48460 2.52573 -71.36461 1016.83623
1135.0000 -76.87372 -72.39565 4.47807 2.45252 -72.11775 997.88311
1140.0000 -75.66816 -72.22354 3.44462 2.46780 -71.96058 980.99620
1145.0000 -74.98275 -71.18444 3.79831 2.42717 -72.37862 957.27649
1150.0000 -75.05478 -70.73794 4.31684 2.54470 -71.16943 1026.06457
1155.0000 -75.63973 -71.58496 4.05477 2.46477 -71.99177 1020.87583
1160.0000 -77.02693 -72.83373 4.19320 2.46414 -71.99824 975.31886
1165.0000 -77.11402 -73.35670 3.75732 2.41771 -72.47593 993.83001
1170.0000 -75.84713 -72.35812 3.48901 2.41243 -72.53026 920.40735
1175.0000 -76.06573 -72.43618 3.62955 2.48972 -71.73508 1011.97436
1180.0000 -76.69716 -72.55120 4.14596 2.38091 -72.85452 941.59277
1185.0000 -77.19942 -73.11711 4.08231 2.38827 -72.77882 962.05050
1190.0000 -77.45954 -73.26231 4.19723 2.38970 -72.76412 917.78874
1195.0000 -76.91613 -73.97536 2.94077 2.28676 -73.82314 845.28968
1200.0000 -77.79237 -73.81359 3.97878 2.32106 -73.47030 882.14172
1205.0000 -75.86645 -72.33700 3.52945 2.38878 -72.77356 972.84118
1210.0000 -77.61638 -73.59628 4.02010 2.34448 -73.22938 888.10374
1215.0000 -76.33955 -71.57788 4.76167 2.41858 -72.46700 945.29672
1220.0000 -76.74443 -72.24214 4.50229 2.42263 -72.42530 891.67240
1225.0000 -75.32120 -71.09179 4.22941 2.52750 -71.34639 1054.71521
1230.0000 -75.41216 -71.00104 4.41112 2.52676 -71.35397 1079.51574
1235.0000 -74.18501 -69.46933 4.71568 2.57785 -70.82837 1042.13814
1240.0000 -74.16252 -69.90972 4.25279 2.67526 -69.82615 1122.61987
1245.0000 -76.27396 -70.50156 5.77240 2.59951 -70.60549 1113.39815
1250.0000 -76.79827 -72.12200 4.67627 2.51603 -71.46443 1046.86234
FREEZING PROCESS: loop number 6 T-loop= 950.00000000000000
main_MD> interactions number 6 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56705 -0.53589 -2.25015
force_rgl> df(natom) -1.31632 1.02230 -1.12896
1255.0000 -75.69980 -70.35514 5.34466 2.52448 -71.37745 1045.96389
1260.0000 -74.88665 -70.77599 4.11066 2.68069 -69.77030 1171.31566
1265.0000 -76.88126 -71.79584 5.08543 2.47028 -71.93505 1012.47152
1270.0000 -76.26981 -72.36613 3.90368 2.51151 -71.51085 1049.26263
1275.0000 -77.54674 -73.37321 4.17354 2.32126 -73.46819 906.92797
1280.0000 -76.88832 -72.40123 4.48709 2.35826 -73.08758 893.51254
1285.0000 -76.23604 -72.90990 3.32614 2.44760 -72.16844 1010.95120
1290.0000 -77.03273 -73.41768 3.61505 2.30989 -73.58518 830.77873
1295.0000 -76.36382 -73.08262 3.28120 2.32327 -73.44760 849.34381
1300.0000 -77.24011 -73.27245 3.96766 2.39386 -72.72128 923.17221
1305.0000 -77.41099 -73.70825 3.70274 2.25496 -74.15035 786.56824
1310.0000 -76.99988 -72.98917 4.01071 2.34649 -73.20870 876.98227
1315.0000 -78.15364 -73.62213 4.53151 2.29044 -73.78532 845.51720
1320.0000 -76.89058 -73.20898 3.68159 2.34104 -73.26472 888.30419
1325.0000 -77.12547 -71.78768 5.33779 2.47995 -71.83560 1035.71629
1330.0000 -76.43081 -73.74501 2.68580 2.37424 -72.92314 953.69406
1335.0000 -78.10302 -74.09683 4.00619 2.27774 -73.91597 858.81684
1340.0000 -76.34789 -71.98408 4.36381 2.29484 -73.74008 849.59374
1345.0000 -76.50306 -72.09639 4.40667 2.36663 -73.00147 889.13293
1350.0000 -76.48538 -72.97425 3.51113 2.41173 -72.53747 947.68131
1355.0000 -76.57091 -72.62427 3.94664 2.33020 -73.37626 898.37746
1360.0000 -76.07460 -72.74954 3.32506 2.37757 -72.88895 903.95240
1365.0000 -76.93342 -72.38479 4.54863 2.39814 -72.67728 948.42426
1370.0000 -76.80193 -72.22137 4.58056 2.44559 -72.18905 930.84114
1375.0000 -77.08371 -73.05564 4.02807 2.37399 -72.92571 939.08135
1380.0000 -77.31629 -73.80522 3.51106 2.34936 -73.17913 923.61904
1385.0000 -76.70134 -72.84472 3.85662 2.36363 -73.03236 900.78360
1390.0000 -76.74095 -73.43008 3.31087 2.34667 -73.20685 870.53162
1395.0000 -76.87201 -72.26321 4.60880 2.35657 -73.10498 909.36932
1400.0000 -76.46003 -71.45451 5.00552 2.44148 -72.23137 967.07843
1405.0000 -76.20883 -72.17200 4.03684 2.49241 -71.70742 978.31443
1410.0000 -75.84271 -71.69362 4.14909 2.48716 -71.76139 1033.86197
1415.0000 -76.30296 -71.68965 4.61331 2.51293 -71.49625 996.82100
1420.0000 -77.36794 -73.11727 4.25066 2.45773 -72.06420 1038.81900
1425.0000 -77.64447 -74.45613 3.18834 2.32530 -73.42665 889.10804
1430.0000 -77.38493 -73.66564 3.71929 2.27441 -73.95027 843.06750
1435.0000 -75.40751 -71.70650 3.70101 2.40713 -72.58479 901.54848
1440.0000 -76.08871 -71.68277 4.40595 2.57280 -70.88029 1076.73076
1445.0000 -76.15166 -71.57473 4.57693 2.45863 -72.05489 1007.89696
1450.0000 -77.34625 -71.80475 5.54150 2.43530 -72.29500 980.26687
1455.0000 -75.98928 -72.64224 3.34704 2.43266 -72.32216 972.84687
1460.0000 -76.12932 -72.27721 3.85212 2.45009 -72.14281 973.96812
1465.0000 -75.81149 -71.59218 4.21932 2.45635 -72.07834 977.05767
1470.0000 -76.20947 -72.34830 3.86117 2.47223 -71.91503 978.64308
1475.0000 -75.63382 -71.67366 3.96016 2.44994 -72.14435 946.22684
1480.0000 -75.93294 -70.26287 5.67007 2.54128 -71.20462 1030.96001
1485.0000 -75.93709 -72.35177 3.58532 2.53518 -71.26732 1041.82348
1490.0000 -76.27677 -72.78855 3.48822 2.37655 -72.89940 897.30159
1495.0000 -75.80250 -71.48175 4.32074 2.38581 -72.80416 882.96376
1500.0000 -77.71617 -72.29928 5.41689 2.47553 -71.88108 1034.60412
FREEZING PROCESS: loop number 7 T-loop= 925.00000000000000
main_MD> interactions number 7 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20150 2.42708 -1.43450
force_rgl> df(natom) 0.91951 0.77244 1.89583
1505.0000 -77.19519 -72.31651 4.87868 2.37498 -72.91551 935.78906
1510.0000 -75.41078 -71.53354 3.87724 2.47518 -71.88465 997.14882
1515.0000 -76.88297 -73.38766 3.49531 2.41514 -72.50237 910.98438
1520.0000 -75.38843 -71.30043 4.08800 2.44330 -72.21265 957.28106
1525.0000 -75.58094 -71.82780 3.75314 2.50755 -71.55165 1014.43759
1530.0000 -76.43370 -73.48329 2.95042 2.37272 -72.93878 896.91665
1535.0000 -77.09297 -73.42184 3.67113 2.35945 -73.07536 896.68659
1540.0000 -76.05130 -72.82889 3.22241 2.34992 -73.17337 869.53748
1545.0000 -76.46026 -71.60635 4.85392 2.43802 -72.26698 994.51812
1550.0000 -76.81405 -73.30503 3.50903 2.40273 -72.63002 949.90774
1555.0000 -76.24165 -72.53854 3.70311 2.43619 -72.28577 996.98367
1560.0000 -77.15961 -73.39435 3.76526 2.39784 -72.68035 955.38097
1565.0000 -77.22991 -73.57260 3.65731 2.23600 -74.34541 838.16011
1570.0000 -76.90883 -72.48210 4.42672 2.34083 -73.26694 889.48674
1575.0000 -76.73736 -72.51806 4.21930 2.39325 -72.72756 939.84891
1580.0000 -77.67985 -73.70140 3.97845 2.34568 -73.21697 897.10383
1585.0000 -76.73426 -72.59784 4.13642 2.32833 -73.39547 892.88137
1590.0000 -77.15108 -74.29872 2.85236 2.29220 -73.76721 847.57999
1595.0000 -76.85748 -72.95062 3.90686 2.29466 -73.74192 868.88622
1600.0000 -76.43772 -71.95482 4.48290 2.41225 -72.53212 1006.68571
1605.0000 -77.44244 -72.43958 5.00286 2.44765 -72.16787 933.97746
1610.0000 -76.08883 -71.79649 4.29234 2.46001 -72.04071 998.89963
1615.0000 -75.06282 -71.94096 3.12186 2.49091 -71.72287 971.78171
1620.0000 -77.68606 -73.13901 4.54705 2.41289 -72.52547 952.24454
1625.0000 -75.67526 -71.20965 4.46561 2.43912 -72.25561 962.37952
1630.0000 -75.13809 -71.03901 4.09908 2.56355 -70.97553 1073.46271
1635.0000 -77.53638 -73.57108 3.96530 2.44499 -72.19525 1017.57557
1640.0000 -76.77477 -73.01767 3.75710 2.34254 -73.24926 905.05391
1645.0000 -76.37083 -72.99843 3.37240 2.39073 -72.75347 945.39645
1650.0000 -77.06166 -73.65246 3.40920 2.33770 -73.29907 906.76240
1655.0000 -77.43274 -73.59219 3.84056 2.37813 -72.88315 902.82170
1660.0000 -77.55630 -73.96403 3.59228 2.29163 -73.77312 830.86985
1665.0000 -78.26300 -74.28470 3.97830 2.28102 -73.88220 855.38321
1670.0000 -77.50107 -74.09281 3.40826 2.24369 -74.26632 765.16007
1675.0000 -76.38840 -72.60108 3.78733 2.37654 -72.89953 873.94976
1680.0000 -76.55610 -72.50152 4.05457 2.35945 -73.07529 909.61876
1685.0000 -77.50504 -73.55078 3.95426 2.34200 -73.25488 920.28727
1690.0000 -76.93569 -73.58410 3.35159 2.28556 -73.83556 842.73887
1695.0000 -77.15339 -71.92984 5.22355 2.34869 -73.18600 905.61321
1700.0000 -76.47181 -71.75970 4.71211 2.50374 -71.59082 1060.93733
1705.0000 -76.72415 -72.93368 3.79047 2.45027 -72.14095 984.28308
1710.0000 -77.49582 -73.62590 3.86992 2.32565 -73.42310 909.39527
1715.0000 -77.31555 -74.23612 3.07944 2.28082 -73.88429 844.48060
1720.0000 -77.02818 -73.24028 3.78791 2.35721 -73.09839 906.78000
1725.0000 -76.64213 -73.31309 3.32904 2.30617 -73.62344 853.28996
1730.0000 -76.45250 -73.18988 3.26262 2.38220 -72.84122 909.39554
1735.0000 -77.08384 -71.72615 5.35769 2.37636 -72.90137 936.14393
1740.0000 -76.41612 -72.46192 3.95420 2.44199 -72.22613 944.80003
1745.0000 -76.42869 -73.48732 2.94137 2.37971 -72.86693 905.42297
1750.0000 -77.26593 -73.46301 3.80292 2.33233 -73.35435 907.24893
FREEZING PROCESS: loop number 8 T-loop= 900.00000000000000
main_MD> interactions number 8 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.77497 -6.57898 1.72095
force_rgl> df(natom) 1.13655 0.22590 -0.55556
1755.0000 -77.62624 -73.96251 3.66373 2.36620 -73.00584 906.59558
1760.0000 -77.67865 -74.26190 3.41674 2.25664 -74.13303 848.94726
1765.0000 -77.28759 -73.54471 3.74288 2.22820 -74.42570 810.99131
1770.0000 -78.00038 -74.32417 3.67621 2.22365 -74.47244 787.21893
1775.0000 -77.46389 -74.74903 2.71486 2.23392 -74.36682 778.22602
1780.0000 -75.09499 -71.59907 3.49592 2.35877 -73.08232 909.33871
1785.0000 -76.26133 -71.96306 4.29827 2.49388 -71.69231 995.60414
1790.0000 -75.56751 -70.88100 4.68651 2.52305 -71.39220 1027.24673
1795.0000 -77.53193 -74.19246 3.33947 2.32521 -73.42755 868.09413
1800.0000 -77.84902 -74.22126 3.62776 2.28805 -73.80992 799.22344
1805.0000 -75.83718 -72.33470 3.50248 2.36034 -73.06617 841.21856
1810.0000 -75.92839 -71.90016 4.02823 2.46385 -72.00119 964.20001
1815.0000 -76.95870 -73.17849 3.78021 2.41060 -72.54911 909.59271
1820.0000 -76.02375 -72.36176 3.66199 2.42706 -72.37976 919.58272
1825.0000 -76.96861 -72.47337 4.49524 2.40721 -72.58391 944.81635
1830.0000 -76.09128 -71.54246 4.54882 2.46089 -72.03166 1016.31107
1835.0000 -76.10683 -72.51994 3.58689 2.44815 -72.16279 976.67521
1840.0000 -76.21543 -72.20328 4.01215 2.39936 -72.66473 919.88840
1845.0000 -77.61294 -73.17415 4.43879 2.49643 -71.66605 1008.51504
1850.0000 -77.87556 -75.28140 2.59416 2.21140 -74.59851 795.54258
1855.0000 -76.87005 -73.16974 3.70031 2.28806 -73.80977 879.37751
1860.0000 -78.17852 -74.04444 4.13407 2.31796 -73.50219 839.91302
1865.0000 -76.33838 -71.94812 4.39025 2.39001 -72.76089 957.33144
1870.0000 -76.37955 -72.95766 3.42189 2.40017 -72.65635 941.14383
1875.0000 -76.35420 -73.06032 3.29388 2.32657 -73.41364 864.17246
1880.0000 -77.20859 -73.27396 3.93463 2.37312 -72.93471 928.23909
1885.0000 -78.06399 -74.02728 4.03671 2.29723 -73.71545 856.96145
1890.0000 -77.85689 -74.25865 3.59824 2.29632 -73.72485 906.02960
1895.0000 -77.14270 -72.35119 4.79150 2.38842 -72.77729 978.56953
1900.0000 -75.83230 -73.06377 2.76853 2.38357 -72.82714 940.83956
1905.0000 -76.89110 -72.53965 4.35145 2.38387 -72.82409 913.21847
1910.0000 -75.27499 -71.99955 3.27544 2.43162 -72.33282 959.25297
1915.0000 -76.64076 -73.01126 3.62950 2.47268 -71.91038 1012.02222
1920.0000 -76.30927 -72.90571 3.40356 2.38196 -72.84369 930.18498
1925.0000 -76.77535 -71.68662 5.08873 2.40394 -72.61760 947.36501
1930.0000 -76.76244 -73.32038 3.44205 2.41862 -72.46660 940.57654
1935.0000 -77.12785 -72.07936 5.04849 2.37811 -72.88336 889.12826
1940.0000 -77.96870 -74.38254 3.58616 2.26523 -74.04466 821.22763
1945.0000 -77.05308 -73.58982 3.46326 2.25136 -74.18735 784.44956
1950.0000 -76.28243 -72.59069 3.69174 2.33726 -73.30364 898.01939
1955.0000 -76.30224 -71.52783 4.77440 2.44189 -72.22718 930.22496
1960.0000 -76.56140 -72.18315 4.37825 2.42640 -72.38648 930.96075
1965.0000 -76.55378 -72.45518 4.09861 2.37980 -72.86591 953.92330
1970.0000 -77.66251 -72.67493 4.98758 2.39136 -72.74702 937.16231
1975.0000 -75.88603 -72.03567 3.85036 2.46414 -71.99824 1003.24175
1980.0000 -75.47436 -71.64749 3.82686 2.43543 -72.29359 935.19279
1985.0000 -75.81937 -71.77353 4.04584 2.51589 -71.46583 993.25765
1990.0000 -75.05230 -71.30839 3.74392 2.51018 -71.52462 1015.38172
1995.0000 -76.63320 -71.93017 4.70303 2.52960 -71.32474 1037.84219
2000.0000 -75.16337 -71.50235 3.66102 2.43708 -72.27662 945.56888
FREEZING PROCESS: loop number 9 T-loop= 875.00000000000000
main_MD> interactions number 9 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.82704 -1.80671 -1.40965
force_rgl> df(natom) -0.62046 -4.14894 -1.82669
2005.0000 -77.33161 -73.50314 3.82847 2.46967 -71.94139 983.17689
2010.0000 -77.27802 -73.57795 3.70007 2.31428 -73.54007 891.77345
2015.0000 -77.57441 -74.61531 2.95909 2.22530 -74.45549 811.63381
2020.0000 -77.01758 -73.19465 3.82294 2.27651 -73.92866 810.86737
2025.0000 -76.26376 -72.39357 3.87019 2.39602 -72.69911 935.46246
2030.0000 -76.64736 -72.37787 4.26949 2.43791 -72.26815 950.27347
2035.0000 -77.46496 -73.49819 3.96676 2.35475 -73.12370 958.28141
2040.0000 -78.59889 -74.88971 3.70918 2.24484 -74.25452 819.75563
2045.0000 -77.70991 -74.51767 3.19224 2.20088 -74.70671 775.87169
2050.0000 -76.97427 -74.16026 2.81401 2.20469 -74.66751 799.98104
2055.0000 -76.90915 -72.76409 4.14506 2.32737 -73.40536 887.32607
2060.0000 -74.60282 -70.05389 4.54893 2.53670 -71.25173 1026.91735
2065.0000 -74.73993 -70.91354 3.82640 2.59429 -70.65921 1102.91666
2070.0000 -75.31092 -71.10159 4.20933 2.50825 -71.54447 973.80230
2075.0000 -76.35561 -72.29091 4.06470 2.44004 -72.24621 998.98100
2080.0000 -76.96737 -72.76239 4.20498 2.39355 -72.72446 904.13635
2085.0000 -76.97690 -72.95708 4.01982 2.35959 -73.07388 890.79414
2090.0000 -76.87529 -72.85678 4.01850 2.43768 -72.27048 936.57171
2095.0000 -76.98600 -72.82244 4.16355 2.34753 -73.19800 888.94567
2100.0000 -77.95115 -73.83044 4.12071 2.39114 -72.74933 943.17357
2105.0000 -77.79423 -74.63419 3.16004 2.28819 -73.80851 877.51706
2110.0000 -77.75736 -73.80743 3.94993 2.27744 -73.91905 825.77808
2115.0000 -77.39340 -72.94932 4.44407 2.29630 -73.72500 835.13834
2120.0000 -76.99843 -71.90057 5.09786 2.40890 -72.56659 979.03327
2125.0000 -76.81201 -72.37564 4.43637 2.49632 -71.66715 1015.61068
2130.0000 -77.19092 -73.69709 3.49383 2.37353 -72.93042 919.08198
2135.0000 -77.55184 -73.77333 3.77850 2.22187 -74.49077 765.39479
2140.0000 -77.38304 -73.60296 3.78008 2.28412 -73.85039 834.28148
2145.0000 -76.75513 -72.19049 4.56464 2.38122 -72.85130 946.83826
2150.0000 -75.33393 -71.31442 4.01951 2.44876 -72.15651 976.17232
2155.0000 -75.98141 -72.86735 3.11406 2.42587 -72.39199 912.28633
2160.0000 -77.26904 -74.14724 3.12180 2.32803 -73.39863 905.33585
2165.0000 -76.40667 -72.94700 3.45968 2.32048 -73.47621 887.73053
2170.0000 -76.33072 -72.26398 4.06674 2.40209 -72.63660 929.16159
2175.0000 -75.86285 -72.04859 3.81426 2.45223 -72.12073 971.16178
2180.0000 -76.02549 -72.09184 3.93365 2.46771 -71.96151 970.45414
2185.0000 -76.13810 -72.32016 3.81794 2.42396 -72.41160 932.89498
2190.0000 -77.00708 -72.91445 4.09263 2.39425 -72.71733 961.12537
2195.0000 -77.57338 -74.34551 3.22786 2.28710 -73.81972 827.00840
2200.0000 -78.51105 -74.76930 3.74175 2.25047 -74.19654 827.69685
2205.0000 -77.44102 -74.01668 3.42434 2.22161 -74.49346 820.01880
2210.0000 -76.66669 -73.36125 3.30544 2.30526 -73.63285 844.21270
2215.0000 -77.59397 -73.73430 3.85967 2.33982 -73.27725 911.64545
2220.0000 -76.72246 -73.40306 3.31939 2.31369 -73.54615 875.35150
2225.0000 -76.78853 -72.48545 4.30309 2.31127 -73.57105 818.64616
2230.0000 -76.65412 -72.26563 4.38850 2.46114 -72.02913 1000.21348
2235.0000 -77.25196 -73.79510 3.45686 2.33757 -73.30041 889.55156
2240.0000 -76.57152 -72.72858 3.84295 2.35365 -73.13498 922.14225
2245.0000 -77.62654 -74.42377 3.20276 2.27030 -73.99256 850.99877
2250.0000 -78.04257 -73.66072 4.38185 2.23930 -74.31146 817.81812
FREEZING PROCESS: loop number 10 T-loop= 850.00000000000000
main_MD> interactions number 10 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65201 1.64207 0.36044
force_rgl> df(natom) -4.21659 0.14509 2.43106
2255.0000 -78.19341 -75.10245 3.09097 2.20481 -74.66630 809.42510
2260.0000 -77.68979 -74.34013 3.34966 2.25007 -74.20066 824.56542
2265.0000 -78.46178 -74.27539 4.18640 2.21971 -74.51304 766.04241
2270.0000 -76.92390 -73.61271 3.31119 2.25469 -74.15311 836.84988
2275.0000 -76.95309 -72.60675 4.34634 2.30699 -73.61500 850.05063
2280.0000 -77.03423 -73.92806 3.10618 2.32229 -73.45763 879.85930
2285.0000 -76.34632 -73.00188 3.34445 2.30959 -73.58831 840.81682
2290.0000 -77.69196 -74.30044 3.39153 2.33245 -73.35309 821.75262
2295.0000 -76.99539 -73.21576 3.77963 2.36920 -72.97506 953.88679
2300.0000 -77.46311 -73.64474 3.81837 2.32667 -73.41260 858.48814
2305.0000 -77.73109 -73.88834 3.84276 2.29865 -73.70088 836.95575
2310.0000 -76.89133 -72.96442 3.92691 2.26621 -74.03463 838.03481
2315.0000 -77.44910 -74.92582 2.52327 2.26735 -74.02289 855.49866
2320.0000 -78.20719 -75.06172 3.14546 2.19485 -74.76877 794.49484
2325.0000 -76.71533 -73.84128 2.87406 2.17082 -75.01599 767.98496
2330.0000 -77.81787 -73.84673 3.97114 2.30381 -73.64773 878.75536
2335.0000 -78.10732 -75.35006 2.75726 2.20317 -74.68319 766.90464
2340.0000 -77.84168 -74.46026 3.38142 2.18631 -74.85668 755.86120
2345.0000 -77.24983 -73.49193 3.75790 2.29994 -73.68756 863.47915
2350.0000 -78.29808 -74.56308 3.73500 2.27771 -73.91628 876.96323
2355.0000 -77.37887 -72.67991 4.69895 2.30918 -73.59249 876.15026
2360.0000 -76.38292 -72.83145 3.55147 2.39986 -72.65955 913.22575
2365.0000 -77.88525 -73.51080 4.37445 2.33480 -73.32898 880.35912
2370.0000 -76.05299 -72.63109 3.42190 2.39523 -72.70718 916.27495
2375.0000 -77.73515 -73.61288 4.12227 2.33139 -73.36398 838.20492
2380.0000 -78.48612 -74.38227 4.10385 2.26355 -74.06200 804.07002
2385.0000 -76.58662 -71.77365 4.81297 2.35434 -73.12790 908.54938
2390.0000 -76.88085 -73.50056 3.38029 2.41385 -72.51563 948.27017
2395.0000 -76.78619 -72.79195 3.99423 2.37221 -72.94400 934.36241
2400.0000 -77.33111 -72.67335 4.65776 2.36209 -73.04813 871.48192
2405.0000 -76.74813 -72.75784 3.99030 2.32183 -73.46232 860.40844
2410.0000 -77.19595 -74.52055 2.67540 2.31896 -73.49190 841.99507
2415.0000 -77.70092 -74.55453 3.14638 2.22740 -74.43386 809.01850
2420.0000 -77.61820 -74.59860 3.01961 2.19240 -74.79401 754.59856
2425.0000 -77.30683 -73.94906 3.35777 2.21956 -74.51455 797.95206
2430.0000 -78.26542 -74.91353 3.35189 2.21444 -74.56723 813.86266
2435.0000 -78.34284 -75.59954 2.74330 2.14847 -75.24595 714.15200
2440.0000 -78.21122 -74.37788 3.83334 2.14643 -75.26689 731.25851
2445.0000 -78.45398 -74.87325 3.58073 2.24278 -74.27570 798.21902
2450.0000 -78.27597 -74.87186 3.40411 2.15488 -75.17997 714.07368
2455.0000 -76.82878 -73.80146 3.02731 2.17175 -75.00639 745.87226
2460.0000 -77.54337 -74.82508 2.71829 2.23802 -74.32466 766.86380
2465.0000 -77.68988 -73.81385 3.87604 2.24379 -74.26527 779.41876
2470.0000 -77.53760 -73.69792 3.83968 2.32517 -73.42805 840.88894
2475.0000 -77.10584 -74.08848 3.01736 2.28722 -73.81844 812.65667
2480.0000 -77.79453 -74.23366 3.56087 2.25793 -74.11980 820.79153
2485.0000 -78.16139 -74.48438 3.67701 2.26388 -74.05854 866.35097
2490.0000 -76.48054 -72.46897 4.01157 2.31630 -73.51922 862.45788
2495.0000 -77.51717 -73.08835 4.42882 2.41208 -72.53388 926.28757
2500.0000 -77.40469 -73.00881 4.39588 2.33623 -73.31418 847.90440
FREEZING PROCESS: loop number 11 T-loop= 825.00000000000000
main_MD> interactions number 11 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.70016 0.51179 -1.25843
force_rgl> df(natom) -0.62718 -0.52090 -0.02738
2505.0000 -78.11160 -74.80903 3.30258 2.24521 -74.25063 816.85519
2510.0000 -78.20183 -74.49211 3.70972 2.16882 -75.03657 777.23411
2515.0000 -77.97453 -74.82708 3.14745 2.16748 -75.05035 767.49007
2520.0000 -77.56411 -73.99587 3.56823 2.23901 -74.31445 770.89353
2525.0000 -76.49957 -72.15979 4.33978 2.36133 -73.05602 921.59824
2530.0000 -76.54023 -72.41441 4.12582 2.42160 -72.43586 955.61182
2535.0000 -77.21014 -73.80662 3.40351 2.31680 -73.51407 869.49390
2540.0000 -79.10203 -75.23465 3.86737 2.21006 -74.61228 786.44344
2545.0000 -77.44318 -74.42066 3.02252 2.14295 -75.30270 717.65107
2550.0000 -76.82491 -74.01422 2.81069 2.21481 -74.56338 772.73036
2555.0000 -77.25851 -73.06551 4.19300 2.28598 -73.83122 814.65938
2560.0000 -76.94451 -73.64752 3.29699 2.32830 -73.39577 895.17888
2565.0000 -78.31016 -74.85620 3.45396 2.27804 -73.91285 829.86122
2570.0000 -78.23903 -74.87147 3.36756 2.18522 -74.86782 793.30111
2575.0000 -77.55383 -74.03296 3.52088 2.25184 -74.18244 807.34500
2580.0000 -76.83696 -72.83457 4.00239 2.24846 -74.21725 806.71294
2585.0000 -77.19168 -72.95676 4.23492 2.35566 -73.11435 901.02075
2590.0000 -76.02896 -73.02493 3.00403 2.42510 -72.39992 930.94147
2595.0000 -76.52309 -73.18747 3.33563 2.31740 -73.50799 856.64915
2600.0000 -77.40745 -73.35272 4.05473 2.34645 -73.20907 916.40964
2605.0000 -75.61380 -72.56581 3.04799 2.27980 -73.89483 843.35090
2610.0000 -77.89159 -74.85292 3.03867 2.32414 -73.43865 812.30931
2615.0000 -78.53107 -75.24146 3.28961 2.20012 -74.71456 795.77096
2620.0000 -77.79292 -74.29814 3.49478 2.23608 -74.34462 767.24139
2625.0000 -78.22375 -74.39635 3.82740 2.23347 -74.37141 815.84412
2630.0000 -76.78820 -73.40723 3.38097 2.33376 -73.33960 867.93132
2635.0000 -76.99350 -73.26470 3.72880 2.34609 -73.21276 952.40009
2640.0000 -76.40410 -73.03713 3.36697 2.27526 -73.94146 856.17802
2645.0000 -77.63885 -73.32009 4.31876 2.33329 -73.34451 846.51873
2650.0000 -76.83950 -73.52238 3.31712 2.36158 -73.05343 869.53488
2655.0000 -77.01914 -73.04244 3.97670 2.36525 -73.01561 868.85192
2660.0000 -76.74358 -73.14250 3.60108 2.33846 -73.29130 901.22136
2665.0000 -77.94699 -74.25502 3.69197 2.27690 -73.92462 806.37460
2670.0000 -77.56038 -73.89722 3.66316 2.23629 -74.34238 826.86851
2675.0000 -77.89947 -73.92529 3.97418 2.25201 -74.18065 871.27311
2680.0000 -77.63986 -74.75318 2.88669 2.17821 -74.94000 734.80570
2685.0000 -77.59225 -73.96877 3.62348 2.24892 -74.21249 799.46331
2690.0000 -77.26427 -74.30806 2.95621 2.24698 -74.23240 795.90325
2695.0000 -78.28644 -75.69444 2.59200 2.15747 -75.15336 674.87356
2700.0000 -78.04227 -75.45968 2.58259 2.09141 -75.83298 654.43856
2705.0000 -79.06189 -75.51365 3.54824 2.10780 -75.66436 709.46974
2710.0000 -77.83068 -74.09254 3.73814 2.14880 -75.24253 701.26460
2715.0000 -77.24388 -74.65241 2.59147 2.24774 -74.22464 819.44600
2720.0000 -77.42570 -73.77124 3.65446 2.30613 -73.62390 824.91385
2725.0000 -77.84970 -74.78277 3.06693 2.25482 -74.15180 760.85534
2730.0000 -78.38840 -74.32763 4.06077 2.25589 -74.14081 823.99763
2735.0000 -78.15333 -74.67823 3.47510 2.22539 -74.45462 823.84882
2740.0000 -77.71955 -74.10431 3.61524 2.27033 -73.99223 791.48912
2745.0000 -77.34134 -74.25885 3.08248 2.25012 -74.20010 741.86378
2750.0000 -78.04173 -74.82338 3.21835 2.24601 -74.24241 771.72903
FREEZING PROCESS: loop number 12 T-loop= 800.00000000000000
main_MD> interactions number 12 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.54824 2.89261 -0.34441
force_rgl> df(natom) -0.79363 0.60927 1.20116
2755.0000 -77.85289 -75.25100 2.60189 2.17655 -74.95701 761.39498
2760.0000 -77.41482 -75.06538 2.34944 2.15799 -75.14803 764.60815
2765.0000 -78.61753 -74.63015 3.98737 2.13652 -75.36886 747.70330
2770.0000 -78.37617 -75.24716 3.12902 2.14097 -75.32313 741.94207
2775.0000 -77.44885 -74.49248 2.95636 2.18318 -74.88887 758.07925
2780.0000 -78.61405 -75.10049 3.51356 2.19015 -74.81708 767.44696
2785.0000 -78.10789 -74.33379 3.77410 2.24299 -74.27350 843.45574
2790.0000 -76.65825 -73.22280 3.43545 2.31615 -73.52078 878.37606
2795.0000 -77.12719 -73.60176 3.52543 2.34502 -73.22379 882.07397
2800.0000 -77.04299 -73.72858 3.31441 2.31830 -73.49873 818.77260
2805.0000 -78.29026 -74.51216 3.77811 2.26892 -74.00672 801.36205
2810.0000 -78.11219 -75.18887 2.92332 2.20986 -74.61433 774.34141
2815.0000 -77.82058 -74.59223 3.22835 2.18527 -74.86735 760.69661
2820.0000 -77.80151 -73.56973 4.23177 2.23361 -74.37004 807.61187
2825.0000 -77.83690 -75.34038 2.49653 2.25243 -74.17634 833.31248
2830.0000 -77.99036 -75.25142 2.73894 2.23395 -74.36645 818.81671
2835.0000 -78.33643 -75.75535 2.58108 2.11487 -75.59165 717.43163
2840.0000 -78.29048 -75.10226 3.18821 2.15233 -75.20627 765.51989
2845.0000 -77.03097 -73.70222 3.32876 2.24461 -74.25684 793.12280
2850.0000 -77.58056 -73.81947 3.76109 2.30917 -73.59260 835.74940
2855.0000 -77.50658 -73.86966 3.63693 2.28926 -73.79743 849.13581
2860.0000 -77.66994 -73.84458 3.82537 2.28199 -73.87226 820.10960
2865.0000 -76.75964 -73.38447 3.37518 2.31998 -73.48137 841.48040
2870.0000 -77.05814 -74.42460 2.63354 2.29932 -73.69397 858.40423
2875.0000 -78.15719 -74.32723 3.82996 2.25927 -74.10605 839.37990
2880.0000 -78.44981 -74.06179 4.38802 2.24342 -74.26904 832.99377
2885.0000 -77.76173 -74.64576 3.11597 2.25996 -74.09894 802.57998
2890.0000 -78.13641 -75.02184 3.11457 2.16437 -75.08240 721.95168
2895.0000 -78.30778 -75.28588 3.02190 2.13843 -75.34921 702.65307
2900.0000 -77.73152 -74.88039 2.85113 2.17388 -74.98452 727.14158
2905.0000 -77.73944 -74.58281 3.15662 2.22157 -74.49386 844.28117
2910.0000 -77.88279 -75.22615 2.65664 2.21256 -74.58656 825.98161
2915.0000 -78.40022 -75.10613 3.29409 2.17049 -75.01937 746.23912
2920.0000 -77.48929 -74.94963 2.53966 2.17761 -74.94615 704.52808
2925.0000 -78.33999 -75.49898 2.84101 2.21245 -74.58772 801.42910
2930.0000 -77.81376 -74.22610 3.58766 2.16467 -75.07933 758.94443
2935.0000 -78.21136 -75.35200 2.85935 2.17956 -74.92604 708.82635
2940.0000 -78.50415 -75.16783 3.33632 2.13183 -75.41715 673.38356
2945.0000 -77.52073 -73.78674 3.73399 2.13143 -75.42129 725.18018
2950.0000 -78.20073 -74.79134 3.40938 2.23386 -74.36747 827.84457
2955.0000 -78.30828 -74.82399 3.48428 2.22623 -74.44589 744.72933
2960.0000 -77.96591 -74.38155 3.58436 2.20898 -74.62344 785.12877
2965.0000 -79.06191 -76.04425 3.01765 2.15946 -75.13291 726.27633
2970.0000 -78.89941 -75.17061 3.72881 2.11386 -75.60205 701.81913
2975.0000 -78.20613 -75.17269 3.03344 2.11435 -75.59701 702.03899
2980.0000 -78.85610 -75.99935 2.85675 2.11714 -75.56830 680.96952
2985.0000 -79.07128 -75.47990 3.59138 2.07126 -76.04030 671.47208
2990.0000 -77.75425 -74.12001 3.63424 2.18963 -74.82251 760.86171
2995.0000 -78.77883 -75.55648 3.22235 2.20951 -74.61796 776.66745
3000.0000 -79.08354 -75.67423 3.40931 2.10052 -75.73930 678.79750
FREEZING PROCESS: loop number 13 T-loop= 775.00000000000000
main_MD> interactions number 13 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73633 0.69957 -0.12812
force_rgl> df(natom) 0.29988 0.90701 0.32590
3005.0000 -78.42612 -75.02569 3.40044 2.13832 -75.35039 727.67995
3010.0000 -78.80661 -76.36790 2.43871 2.13265 -75.40868 702.52153
3015.0000 -78.92489 -75.77653 3.14836 2.05995 -76.15671 658.00675
3020.0000 -78.51547 -75.76836 2.74711 2.08560 -75.89280 661.02798
3025.0000 -79.28514 -76.10483 3.18031 2.11142 -75.62709 735.55875
3030.0000 -79.17917 -75.95534 3.22383 2.07002 -76.05302 661.83552
3035.0000 -77.70100 -74.68190 3.01909 2.15415 -75.18753 747.93900
3040.0000 -78.54154 -74.95201 3.58953 2.21275 -74.58458 789.90856
3045.0000 -78.66118 -75.39621 3.26497 2.19383 -74.77928 768.62279
3050.0000 -78.13608 -75.10667 3.02941 2.17444 -74.97871 721.81894
3055.0000 -78.20513 -74.56022 3.64491 2.20532 -74.66107 735.52053
3060.0000 -78.18186 -74.31959 3.86227 2.27054 -73.99010 867.54670
3065.0000 -77.52616 -74.86514 2.66102 2.24409 -74.26221 818.42240
3070.0000 -78.69190 -75.14788 3.54402 2.16741 -75.05107 741.89554
3075.0000 -77.46264 -74.34282 3.11982 2.22850 -74.42261 832.97705
3080.0000 -78.95677 -75.02091 3.93586 2.18431 -74.87720 744.30145
3085.0000 -78.70746 -74.94825 3.75921 2.18890 -74.83001 738.48460
3090.0000 -78.05897 -75.05734 3.00163 2.22865 -74.42102 816.16224
3095.0000 -78.72039 -75.49916 3.22123 2.14486 -75.28313 722.64521
3100.0000 -78.68695 -75.92899 2.75796 2.07177 -76.03504 668.39531
3105.0000 -78.73734 -75.56531 3.17204 2.11484 -75.59191 690.10310
3110.0000 -77.02108 -74.20920 2.81188 2.26179 -74.08009 810.06393
3115.0000 -77.08666 -73.49545 3.59121 2.29232 -73.76594 842.90272
3120.0000 -77.73986 -74.67778 3.06208 2.32674 -73.41190 902.88260
3125.0000 -77.42752 -73.21932 4.20820 2.30944 -73.58986 843.96987
3130.0000 -77.07552 -73.98197 3.09355 2.25917 -74.10705 782.24438
3135.0000 -78.31379 -74.85932 3.45447 2.25073 -74.19383 801.02655
3140.0000 -79.98011 -76.48897 3.49114 2.11334 -75.60741 694.98098
3145.0000 -79.10418 -75.66633 3.43786 2.07291 -76.02332 707.70432
3150.0000 -77.75597 -74.50672 3.24925 2.14109 -75.32185 741.44607
3155.0000 -77.57626 -74.08120 3.49505 2.20266 -74.68848 773.18784
3160.0000 -78.51615 -75.01060 3.50555 2.22727 -74.43519 813.91129
3165.0000 -78.15890 -74.34689 3.81200 2.17489 -74.97411 742.48039
3170.0000 -78.92728 -75.98543 2.94185 2.12036 -75.53519 716.66869
3175.0000 -78.20228 -74.87074 3.33154 2.08329 -75.91658 679.99211
3180.0000 -77.99857 -74.78474 3.21383 2.17317 -74.99186 733.19583
3185.0000 -77.94128 -75.18492 2.75636 2.21249 -74.58725 767.69838
3190.0000 -78.52994 -75.42492 3.10503 2.14149 -75.31780 703.73183
3195.0000 -78.10396 -74.53177 3.57219 2.24926 -74.20895 854.67550
3200.0000 -77.54752 -73.58491 3.96261 2.30289 -73.65726 847.66181
3205.0000 -78.07560 -74.73275 3.34285 2.24646 -74.23776 805.03568
3210.0000 -77.10286 -73.41008 3.69278 2.27786 -73.91475 858.22373
3215.0000 -77.25978 -73.97002 3.28976 2.23236 -74.38291 803.31109
3220.0000 -77.27494 -74.02311 3.25183 2.30125 -73.67412 828.31060
3225.0000 -78.22330 -75.22758 2.99572 2.16147 -75.11224 740.65665
3230.0000 -78.16230 -74.89486 3.26744 2.20701 -74.64367 773.62024
3235.0000 -78.43287 -74.28970 4.14317 2.18591 -74.86074 748.55267
3240.0000 -77.54481 -74.39588 3.14893 2.31945 -73.48686 887.28802
3245.0000 -76.81731 -74.59152 2.22579 2.23124 -74.39435 837.60543
3250.0000 -77.88724 -74.62766 3.25958 2.25469 -74.15309 786.80508
FREEZING PROCESS: loop number 14 T-loop= 750.00000000000000
main_MD> interactions number 14 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16470 2.42997 -3.99201
force_rgl> df(natom) -1.59426 -0.12408 -0.33273
3255.0000 -78.30833 -75.51528 2.79305 2.14005 -75.33260 694.56343
3260.0000 -78.62493 -76.15594 2.46900 2.08727 -75.87558 699.18618
3265.0000 -77.55704 -73.85261 3.70444 2.20285 -74.68649 778.79171
3270.0000 -77.55216 -73.54566 4.00650 2.24184 -74.28528 784.38697
3275.0000 -77.66619 -74.84135 2.82484 2.19406 -74.77686 796.76104
3280.0000 -77.74146 -74.77000 2.97146 2.17304 -74.99317 755.89551
3285.0000 -78.46666 -74.72751 3.73915 2.23745 -74.33045 775.99652
3290.0000 -79.41171 -76.17283 3.23889 2.13155 -75.42003 720.39183
3295.0000 -78.95657 -75.60484 3.35173 2.06034 -76.15265 654.31347
3300.0000 -78.62228 -75.55257 3.06971 2.16001 -75.12725 741.84119
3305.0000 -77.98086 -74.20597 3.77490 2.14799 -75.25091 718.48930
3310.0000 -76.75941 -73.98861 2.77080 2.23949 -74.30946 713.89358
3315.0000 -78.96626 -76.15233 2.81393 2.17996 -74.92195 709.68757
3320.0000 -79.06691 -75.99858 3.06833 2.07245 -76.02810 672.48146
3325.0000 -79.18351 -75.77268 3.41082 2.09802 -75.76503 695.25408
3330.0000 -78.54023 -76.29501 2.24522 2.05485 -76.20917 626.03162
3335.0000 -78.50272 -76.18590 2.31682 2.06399 -76.11510 625.30335
3340.0000 -78.98280 -75.84936 3.13344 2.07892 -75.96147 656.49654
3345.0000 -78.37103 -75.88141 2.48962 2.08871 -75.86082 666.88109
3350.0000 -78.02287 -75.14224 2.88063 2.14138 -75.31885 708.52500
3355.0000 -78.13469 -74.64366 3.49103 2.15965 -75.13093 732.34963
3360.0000 -77.41655 -74.26967 3.14688 2.20979 -74.61502 760.39172
3365.0000 -78.66757 -75.76605 2.90153 2.12419 -75.49578 670.76506
3370.0000 -78.63888 -75.11348 3.52540 2.15632 -75.16515 691.59050
3375.0000 -78.24356 -74.56111 3.68245 2.23524 -74.35321 791.85802
3380.0000 -77.56303 -75.55477 2.00826 2.19500 -74.76720 734.22152
3385.0000 -77.64375 -74.32605 3.31770 2.18496 -74.87052 774.46708
3390.0000 -76.95183 -73.98565 2.96618 2.22914 -74.41603 754.27687
3395.0000 -77.93298 -74.83350 3.09948 2.19369 -74.78070 742.35264
3400.0000 -78.88571 -76.26437 2.62134 2.10658 -75.67694 678.92920
3405.0000 -78.52570 -75.26921 3.25649 2.11812 -75.55825 733.95621
3410.0000 -78.76264 -75.90947 2.85317 2.09921 -75.75278 678.97857
3415.0000 -78.03624 -74.59569 3.44055 2.15267 -75.20277 740.55097
3420.0000 -76.81766 -73.56876 3.24890 2.28419 -73.84967 861.64992
3425.0000 -77.20692 -73.31762 3.88930 2.28677 -73.82312 874.99439
3430.0000 -76.53711 -73.29142 3.24569 2.37239 -72.94219 922.28074
3435.0000 -78.05651 -72.88741 5.16910 2.32418 -73.43822 891.30369
3440.0000 -78.19149 -74.96700 3.22449 2.25285 -74.17203 834.13222
3445.0000 -78.17039 -75.79328 2.37711 2.16029 -75.12436 718.42137
3450.0000 -78.15293 -74.47958 3.67335 2.22526 -74.45592 802.50977
3455.0000 -77.48014 -74.40303 3.07711 2.25176 -74.18327 786.29597
3460.0000 -77.57821 -74.07140 3.50682 2.20331 -74.68171 766.37602
3465.0000 -78.39754 -74.80619 3.59135 2.26751 -74.02127 825.31966
3470.0000 -78.15874 -75.16052 2.99822 2.16330 -75.09334 690.43012
3475.0000 -77.50447 -74.29996 3.20451 2.25729 -74.12637 813.01482
3480.0000 -77.84625 -74.45951 3.38674 2.23826 -74.32218 781.01723
3485.0000 -77.45144 -74.57278 2.87866 2.22221 -74.48728 788.96825
3490.0000 -77.59976 -74.72335 2.87641 2.18907 -74.82821 751.03565
3495.0000 -78.81095 -75.07660 3.73435 2.17180 -75.00593 742.20090
3500.0000 -79.04661 -75.81992 3.22670 2.13571 -75.37721 717.00265
FREEZING PROCESS: loop number 15 T-loop= 725.00000000000000
main_MD> interactions number 15 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.38717 -1.72041 -2.01895
force_rgl> df(natom) 1.17659 0.97683 -0.65983
3505.0000 -77.72716 -74.15559 3.57157 2.19098 -74.80858 772.41042
3510.0000 -79.17726 -75.06667 4.11059 2.23966 -74.30778 826.62781
3515.0000 -77.31816 -74.11209 3.20607 2.22981 -74.40907 794.08336
3520.0000 -79.03645 -75.75916 3.27729 2.20189 -74.69638 767.93690
3525.0000 -79.12936 -76.24240 2.88696 2.08646 -75.88388 682.83911
3530.0000 -79.01918 -76.35559 2.66360 2.05734 -76.18347 650.63523
3535.0000 -78.87264 -75.41923 3.45342 2.14001 -75.33302 707.61101
3540.0000 -78.89922 -76.21688 2.68233 2.04658 -76.29420 615.39387
3545.0000 -78.29015 -75.02528 3.26487 2.14484 -75.28328 710.93526
3550.0000 -77.92762 -75.13992 2.78770 2.15574 -75.17115 719.92122
3555.0000 -78.28958 -74.92719 3.36238 2.21604 -74.55082 788.14315
3560.0000 -78.85153 -75.07798 3.77355 2.14609 -75.27047 728.44843
3565.0000 -78.87204 -76.37213 2.49991 2.08734 -75.87484 691.62792
3570.0000 -78.81705 -76.22690 2.59015 2.01884 -76.57959 595.88654
3575.0000 -79.00261 -75.97339 3.02923 2.03851 -76.37722 656.59365
3580.0000 -78.78459 -75.79158 2.99301 2.09310 -75.81563 692.93890
3585.0000 -77.81314 -75.25752 2.55561 2.15891 -75.13851 753.48116
3590.0000 -78.42642 -76.35968 2.06675 2.07696 -75.98169 665.81691
3595.0000 -78.11669 -75.37076 2.74593 2.09952 -75.74959 674.19789
3600.0000 -78.07813 -75.28530 2.79283 2.17069 -75.01730 709.82826
3605.0000 -78.07365 -74.74241 3.33124 2.18343 -74.88628 725.02075
3610.0000 -77.80498 -75.01940 2.78557 2.18992 -74.81947 759.15260
3615.0000 -77.14333 -74.47000 2.67334 2.20199 -74.69529 742.40434
3620.0000 -77.42945 -73.77281 3.65665 2.23161 -74.39061 720.02099
3625.0000 -78.59608 -75.17829 3.41778 2.21620 -74.54907 749.04160
3630.0000 -77.64502 -75.11734 2.52767 2.15328 -75.19650 695.98491
3635.0000 -78.22251 -75.35986 2.86265 2.13443 -75.39042 702.67259
3640.0000 -78.61035 -75.31140 3.29895 2.15469 -75.18197 736.17746
3645.0000 -78.88342 -76.19331 2.69011 2.10824 -75.65986 704.59650
3650.0000 -78.85545 -75.86248 2.99297 2.06781 -76.07582 651.36135
3655.0000 -77.80949 -74.87637 2.93312 2.16702 -75.05512 729.05402
3660.0000 -77.57313 -74.65065 2.92248 2.19774 -74.73904 706.17625
3665.0000 -77.27312 -74.43934 2.83378 2.19275 -74.79036 698.48066
3670.0000 -77.69574 -74.03021 3.66553 2.21449 -74.56673 762.50496
3675.0000 -77.43922 -74.47184 2.96738 2.22620 -74.44623 765.33105
3680.0000 -78.10661 -74.84298 3.26363 2.20114 -74.70405 748.94217
3685.0000 -77.84193 -74.04246 3.79947 2.22795 -74.42819 825.33315
3690.0000 -79.27964 -76.01141 3.26823 2.15995 -75.12786 748.86297
3695.0000 -77.92427 -75.36326 2.56101 2.07711 -75.98014 655.99491
3700.0000 -78.14799 -75.08051 3.06748 2.13989 -75.33425 694.77711
3705.0000 -79.38003 -75.67501 3.70502 2.14002 -75.33285 738.64949
3710.0000 -79.33268 -76.18503 3.14765 2.09482 -75.79788 695.72783
3715.0000 -78.72468 -76.53179 2.19289 2.02392 -76.52730 633.99657
3720.0000 -78.58543 -75.65695 2.92849 2.07866 -75.96413 632.31539
3725.0000 -78.61553 -75.54141 3.07412 2.09122 -75.83496 667.85943
3730.0000 -78.86486 -75.68691 3.17795 2.13221 -75.41321 676.43899
3735.0000 -78.69581 -75.44980 3.24602 2.16929 -75.03174 751.34427
3740.0000 -78.00188 -74.63054 3.37134 2.14133 -75.31938 711.59527
3745.0000 -77.82795 -75.01365 2.81430 2.20089 -74.70664 730.93986
3750.0000 -77.92001 -74.97519 2.94482 2.19720 -74.74461 773.95300
FREEZING PROCESS: loop number 16 T-loop= 700.00000000000000
main_MD> interactions number 16 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.84892 -2.41683 -2.10379
force_rgl> df(natom) 0.17664 1.91277 -0.40289
3755.0000 -78.95475 -75.75450 3.20026 2.10083 -75.73608 708.76878
3760.0000 -78.66329 -75.51365 3.14964 2.15009 -75.22933 741.77746
3765.0000 -78.67497 -75.72988 2.94509 2.12509 -75.48646 670.92218
3770.0000 -78.51813 -74.92238 3.59574 2.14484 -75.28326 730.97299
3775.0000 -78.38552 -75.12857 3.25696 2.15325 -75.19682 744.38444
3780.0000 -79.02201 -75.87862 3.14339 2.06355 -76.11961 630.33040
3785.0000 -78.55139 -76.26623 2.28516 2.05109 -76.24785 638.48657
3790.0000 -77.70769 -74.40970 3.29799 2.16608 -75.06481 746.96349
3795.0000 -77.44949 -74.55479 2.89470 2.20992 -74.61374 767.21220
3800.0000 -78.54272 -75.04683 3.49589 2.26397 -74.05764 831.71927
3805.0000 -78.90750 -75.05849 3.84902 2.12259 -75.51220 666.53736
3810.0000 -78.94824 -75.79721 3.15103 2.14305 -75.30172 738.31665
3815.0000 -78.35422 -75.15025 3.20397 2.16128 -75.11416 723.65929
3820.0000 -78.70704 -76.14805 2.55900 2.15150 -75.21478 744.43629
3825.0000 -77.91881 -74.48573 3.43308 2.14923 -75.23808 721.03308
3830.0000 -77.88131 -75.00646 2.87485 2.19235 -74.79452 754.57865
3835.0000 -77.50038 -74.55915 2.94123 2.19763 -74.74021 776.15864
3840.0000 -78.43265 -75.46518 2.96747 2.16563 -75.06937 741.71986
3845.0000 -78.63011 -74.84649 3.78361 2.11397 -75.60086 714.30519
3850.0000 -78.94356 -76.13225 2.81131 2.14806 -75.25018 737.99996
3855.0000 -78.79596 -75.83398 2.96198 2.06202 -76.13540 651.81945
3860.0000 -78.08435 -74.87846 3.20589 2.15914 -75.13613 734.13002
3865.0000 -78.12028 -75.25938 2.86090 2.16809 -75.04408 746.70690
3870.0000 -78.57154 -75.61052 2.96102 2.15726 -75.15554 748.70846
3875.0000 -78.27585 -75.20170 3.07414 2.12039 -75.53481 682.77615
3880.0000 -78.02082 -75.48797 2.53285 2.13776 -75.35609 691.03491
3885.0000 -78.41804 -75.62015 2.79790 2.12661 -75.47089 698.07469
3890.0000 -78.68247 -75.91112 2.77135 2.11729 -75.56668 712.16498
3895.0000 -78.23180 -74.87856 3.35324 2.15408 -75.18821 729.18948
3900.0000 -77.71390 -74.53139 3.18251 2.25102 -74.19093 790.94549
3905.0000 -78.36838 -75.32081 3.04756 2.18836 -74.83558 757.00543
3910.0000 -77.56366 -75.32272 2.24093 2.14208 -75.31173 692.75577
3915.0000 -78.54078 -75.13119 3.40959 2.15827 -75.14517 697.87412
3920.0000 -77.76927 -74.86367 2.90560 2.12702 -75.46664 655.31455
3925.0000 -78.24383 -75.27477 2.96907 2.17399 -74.98335 723.01601
3930.0000 -78.52787 -75.72713 2.80074 2.11242 -75.61681 680.83266
3935.0000 -78.54546 -75.67439 2.87107 2.10196 -75.72442 671.37444
3940.0000 -78.94517 -75.95336 2.99181 2.06907 -76.06286 630.73475
3945.0000 -78.81415 -75.74345 3.07070 2.06941 -76.05930 677.45310
3950.0000 -78.22896 -75.65376 2.57520 2.11753 -75.56431 719.26070
3955.0000 -78.22671 -75.03688 3.18983 2.15050 -75.22507 759.32707
3960.0000 -78.64158 -75.98168 2.65990 2.10185 -75.72557 689.13558
3965.0000 -78.86676 -75.97099 2.89577 2.06619 -76.09245 672.09421
3970.0000 -78.61271 -75.87062 2.74209 2.07367 -76.01554 662.75264
3975.0000 -78.31470 -75.33488 2.97981 2.14831 -75.24763 717.36935
3980.0000 -78.89871 -75.73046 3.16825 2.15968 -75.13061 710.65502
3985.0000 -78.24434 -74.89240 3.35193 2.15422 -75.18677 739.07443
3990.0000 -77.99764 -75.50043 2.49721 2.14047 -75.32828 738.58973
3995.0000 -78.71159 -76.19804 2.51355 2.04358 -76.32505 624.20181
4000.0000 -78.79886 -75.77863 3.02022 2.09103 -75.83690 669.13898
FREEZING PROCESS: loop number 17 T-loop= 675.00000000000000
main_MD> interactions number 17 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01748 1.20269 0.27451
force_rgl> df(natom) 4.24273 -2.51882 -4.16690
4005.0000 -78.90191 -76.28144 2.62047 2.03136 -76.45080 648.96173
4010.0000 -79.09624 -76.10328 2.99297 2.07140 -76.03891 657.35350
4015.0000 -77.95233 -75.85501 2.09733 2.08130 -75.93702 693.47197
4020.0000 -79.04024 -76.11791 2.92233 2.02480 -76.51829 612.45026
4025.0000 -78.92946 -76.28618 2.64329 2.08834 -75.86459 688.75207
4030.0000 -78.82901 -75.23555 3.59346 2.14882 -75.24230 716.64114
4035.0000 -79.11815 -75.99680 3.12135 2.09212 -75.82569 686.96333
4040.0000 -78.78604 -75.98512 2.80092 2.08453 -75.90382 674.30977
4045.0000 -77.53487 -75.54991 1.98496 2.10709 -75.67172 683.25827
4050.0000 -78.48723 -75.35618 3.13105 2.12237 -75.51445 663.62365
4055.0000 -79.08940 -75.86059 3.22882 2.13696 -75.36434 719.66277
4060.0000 -78.34100 -76.06347 2.27753 2.07261 -76.02645 674.75544
4065.0000 -78.34754 -76.32686 2.02068 2.08870 -75.86084 596.01186
4070.0000 -79.02188 -75.96513 3.05675 2.02594 -76.50652 603.51819
4075.0000 -79.35762 -76.70777 2.64985 2.10189 -75.72519 680.92825
4080.0000 -78.48292 -75.99510 2.48783 2.02966 -76.46834 601.76504
4085.0000 -78.15509 -74.79765 3.35745 2.13042 -75.43168 694.38697
4090.0000 -78.45687 -75.97107 2.48580 2.09495 -75.79662 687.56234
4095.0000 -78.52211 -75.33708 3.18503 2.11263 -75.61465 712.23398
4100.0000 -77.49517 -74.77164 2.72353 2.15698 -75.15842 747.76409
4105.0000 -78.61756 -75.66798 2.94957 2.16912 -75.03345 759.52162
4110.0000 -79.22985 -76.12826 3.10159 2.04040 -76.35775 652.63970
4115.0000 -79.67479 -77.42242 2.25236 2.01559 -76.61301 617.30061
4120.0000 -79.13600 -76.40881 2.72719 1.99596 -76.81502 585.66009
4125.0000 -79.62822 -76.93052 2.69770 1.99764 -76.79773 611.86351
4130.0000 -79.52475 -77.12564 2.39911 1.99710 -76.80328 598.06595
4135.0000 -78.95939 -76.22039 2.73900 1.99640 -76.81052 578.57706
4140.0000 -79.59446 -77.12872 2.46575 2.03806 -76.38184 637.59700
4145.0000 -78.27027 -76.14358 2.12669 2.00586 -76.71316 580.61882
4150.0000 -79.08527 -76.14900 2.93627 2.05191 -76.23940 600.77463
4155.0000 -79.69615 -76.47080 3.22535 2.05190 -76.23946 657.81522
4160.0000 -79.76135 -76.74589 3.01546 2.02690 -76.49670 642.73543
4165.0000 -79.01784 -76.25859 2.75925 2.00800 -76.69118 616.62442
4170.0000 -78.66949 -76.33563 2.33386 2.05765 -76.18034 657.43780
4175.0000 -79.07744 -76.71603 2.36140 2.03182 -76.44606 633.67746
4180.0000 -78.17650 -74.94859 3.22791 2.10085 -75.73592 694.26606
4185.0000 -78.35409 -75.74276 2.61133 2.11613 -75.57863 708.50437
4190.0000 -79.42075 -76.51390 2.90685 2.08912 -75.85654 681.30210
4195.0000 -78.90876 -76.21648 2.69228 2.02271 -76.53985 611.35837
4200.0000 -79.47621 -75.89451 3.58170 2.09614 -75.78429 716.54226
4205.0000 -78.72927 -76.19458 2.53468 2.04203 -76.34099 609.92407
4210.0000 -80.02680 -77.33810 2.68870 2.02110 -76.55636 620.95222
4215.0000 -78.82180 -75.95522 2.86658 1.97424 -77.03849 573.90565
4220.0000 -78.69650 -76.30293 2.39356 2.02002 -76.56746 586.84914
4225.0000 -79.03211 -75.82020 3.21190 2.10673 -75.67541 670.80205
4230.0000 -78.94716 -76.01703 2.93013 2.07750 -75.97612 650.40076
4235.0000 -78.51391 -75.28681 3.22709 2.08612 -75.88738 680.52703
4240.0000 -79.19008 -76.30435 2.88573 2.10993 -75.64249 693.97480
4245.0000 -78.36552 -74.77267 3.59285 2.13098 -75.42585 721.00775
4250.0000 -78.33729 -75.05994 3.27735 2.23014 -74.40571 794.59036
FREEZING PROCESS: loop number 18 T-loop= 650.00000000000000
main_MD> interactions number 18 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.19484 0.28184 -3.26042
force_rgl> df(natom) 0.04137 -0.32541 2.90760
4255.0000 -78.80565 -75.72117 3.08448 2.11947 -75.54426 722.83467
4260.0000 -78.43891 -75.35646 3.08244 2.11844 -75.55492 709.19440
4265.0000 -78.98961 -76.11030 2.87932 2.08886 -75.85922 669.54802
4270.0000 -79.14739 -75.97731 3.17008 2.07962 -75.95432 653.90473
4275.0000 -79.27040 -76.72723 2.54317 2.00345 -76.73798 588.19001
4280.0000 -79.19046 -76.91830 2.27217 1.96971 -77.08505 566.56231
4285.0000 -78.66324 -75.79728 2.86596 2.03977 -76.36424 600.45703
4290.0000 -78.69737 -75.94313 2.75424 2.09254 -75.82141 682.30408
4295.0000 -78.07941 -75.48437 2.59504 2.10397 -75.70380 711.75421
4300.0000 -79.15396 -76.41507 2.73889 2.09597 -75.78610 657.33617
4305.0000 -79.02864 -76.21004 2.81859 2.02973 -76.46757 583.61955
4310.0000 -78.19097 -74.78225 3.40872 2.16573 -75.06836 736.94335
4315.0000 -78.67601 -74.88129 3.79472 2.19616 -74.75533 761.83645
4320.0000 -78.41355 -75.43934 2.97421 2.14840 -75.24667 705.43360
4325.0000 -78.51313 -75.70449 2.80864 2.13575 -75.37681 711.62611
4330.0000 -79.48803 -77.10250 2.38554 2.08802 -75.86789 689.59543
4335.0000 -79.38437 -77.13696 2.24741 1.99921 -76.78160 623.20948
4340.0000 -79.44821 -76.89483 2.55338 1.99586 -76.81600 594.59420
4345.0000 -79.88648 -77.55527 2.33121 1.95734 -77.21239 557.49682
4350.0000 -79.44049 -76.44242 2.99807 2.02758 -76.48971 620.37604
4355.0000 -78.73783 -75.54861 3.18923 2.06339 -76.12123 665.29782
4360.0000 -79.25401 -76.91843 2.33558 2.03321 -76.43177 624.79532
4365.0000 -79.10958 -76.97023 2.13935 1.96112 -77.17341 560.62274
4370.0000 -78.99273 -76.45180 2.54092 1.97307 -77.05048 554.79422
4375.0000 -79.75138 -76.53217 3.21921 2.09484 -75.79775 689.89459
4380.0000 -78.72977 -76.63349 2.09627 2.03057 -76.45891 607.33124
4385.0000 -78.85587 -76.39446 2.46142 2.01637 -76.60506 658.11016
4390.0000 -79.30932 -76.85948 2.44984 2.02343 -76.53238 616.26446
4395.0000 -79.20701 -76.22127 2.98574 1.99748 -76.79939 611.01012
4400.0000 -79.63711 -76.90100 2.73611 2.02811 -76.48420 627.32869
4405.0000 -79.27610 -76.69194 2.58416 1.95881 -77.19721 554.47583
4410.0000 -79.80550 -77.25603 2.54946 1.98840 -76.89284 586.86108
4415.0000 -78.46518 -76.18159 2.28358 2.07071 -76.04597 673.74326
4420.0000 -79.01410 -76.28000 2.73409 2.06537 -76.10086 679.63726
4425.0000 -78.70321 -75.88721 2.81600 2.07835 -75.96733 687.06648
4430.0000 -78.79010 -75.80963 2.98046 2.07622 -75.98922 654.25459
4435.0000 -78.71491 -76.10631 2.60861 2.07049 -76.04826 659.61455
4440.0000 -79.20193 -76.20277 2.99916 2.06455 -76.10931 626.28847
4445.0000 -78.69373 -76.36404 2.32969 2.05683 -76.18873 623.21797
4450.0000 -79.35053 -76.66720 2.68333 2.04594 -76.30076 630.12344
4455.0000 -79.08599 -76.53154 2.55445 2.01676 -76.60105 605.39399
4460.0000 -79.10327 -77.07557 2.02769 1.96907 -77.09171 559.38457
4465.0000 -79.09065 -75.91572 3.17493 2.02518 -76.51442 634.27996
4470.0000 -79.09024 -76.69796 2.39229 2.04447 -76.31593 650.23926
4475.0000 -79.01158 -76.09884 2.91273 2.02960 -76.46886 621.16381
4480.0000 -78.80969 -76.15739 2.65229 2.06683 -76.08587 697.10013
4485.0000 -79.43175 -77.03524 2.39651 2.02267 -76.54021 653.44540
4490.0000 -79.18375 -76.68421 2.49954 2.01599 -76.60892 602.77010
4495.0000 -78.63077 -76.31321 2.31756 2.04721 -76.28773 650.61136
4500.0000 -78.64528 -75.55344 3.09184 2.05718 -76.18516 625.05689
FREEZING PROCESS: loop number 19 T-loop= 625.00000000000000
main_MD> interactions number 19 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.41007 3.81645 0.42832
force_rgl> df(natom) 2.42675 0.16740 0.08803
4505.0000 -78.48751 -75.95172 2.53578 2.09959 -75.74884 677.13372
4510.0000 -79.01103 -75.89547 3.11556 2.05169 -76.24160 623.30554
4515.0000 -78.77632 -76.06717 2.70915 2.07227 -76.02996 665.37971
4520.0000 -79.62475 -77.63674 1.98801 1.96904 -77.09199 561.24201
4525.0000 -78.66148 -76.11937 2.54212 1.96926 -77.08968 584.37260
4530.0000 -78.13767 -74.83870 3.29897 2.08887 -75.85908 677.26942
4535.0000 -78.11844 -76.10134 2.01709 2.14284 -75.30392 740.96311
4540.0000 -78.87655 -75.55824 3.31831 2.07862 -75.96453 686.85569
4545.0000 -78.54134 -76.34206 2.19927 2.06351 -76.12001 626.71405
4550.0000 -79.47190 -76.74018 2.73172 2.01187 -76.65130 603.07755
4555.0000 -79.73804 -76.81022 2.92782 1.98200 -76.95862 587.67408
4560.0000 -79.38893 -76.73622 2.65271 2.00531 -76.71886 588.82928
4565.0000 -79.88059 -77.65692 2.22367 1.97551 -77.02537 607.96686
4570.0000 -79.41679 -77.46244 1.95435 1.93228 -77.47012 547.31714
4575.0000 -79.81653 -77.26534 2.55119 1.95129 -77.27456 528.15639
4580.0000 -79.41964 -76.96526 2.45438 1.98548 -76.92287 586.58996
4585.0000 -79.59143 -77.31165 2.27979 1.96029 -77.18195 572.68588
4590.0000 -79.69500 -77.25937 2.43563 1.91982 -77.59833 518.10394
4595.0000 -78.23595 -76.29549 1.94046 1.97702 -77.00987 579.25716
4600.0000 -79.03705 -75.77189 3.26517 2.03636 -76.39940 627.10691
4605.0000 -79.05700 -76.84161 2.21538 2.04308 -76.33023 641.24149
4610.0000 -79.26770 -75.72512 3.54258 2.10282 -75.71563 692.61651
4615.0000 -79.29841 -76.25387 3.04454 2.03628 -76.40021 646.28563
4620.0000 -78.58824 -76.16234 2.42591 2.08256 -75.92401 672.27525
4625.0000 -79.47984 -76.79274 2.68710 2.02821 -76.48319 598.86829
4630.0000 -78.82289 -75.85227 2.97063 2.05661 -76.19104 662.56024
4635.0000 -79.26012 -76.57198 2.68814 2.09229 -75.82392 673.55752
4640.0000 -78.79184 -76.92280 1.86903 1.98617 -76.91569 590.66625
4645.0000 -80.02999 -77.52190 2.50809 2.00329 -76.73965 602.06421
4650.0000 -79.21001 -75.94759 3.26242 2.01555 -76.61345 621.94665
4655.0000 -78.76756 -76.26309 2.50447 2.09035 -75.84386 667.87847
4660.0000 -79.11311 -76.33858 2.77453 2.04024 -76.35949 614.38535
4665.0000 -78.52352 -75.72648 2.79704 2.02961 -76.46876 586.07198
4670.0000 -78.78962 -76.32333 2.46629 2.06235 -76.13199 595.28146
4675.0000 -78.64402 -75.84868 2.79534 2.05418 -76.21599 585.30315
4680.0000 -78.46257 -76.07017 2.39240 2.07243 -76.02831 646.83765
4685.0000 -79.24328 -77.15067 2.09261 2.02141 -76.55320 618.02845
4690.0000 -78.85800 -76.63093 2.22706 1.98265 -76.95196 607.49627
4695.0000 -79.35412 -76.79811 2.55602 1.97402 -77.04069 581.38052
4700.0000 -79.20292 -75.91989 3.28303 2.04118 -76.34976 632.28946
4705.0000 -78.83350 -75.86399 2.96951 2.07244 -76.02813 654.45426
4710.0000 -79.12111 -75.53585 3.58526 2.13841 -75.34948 720.34808
4715.0000 -79.13442 -76.89812 2.23630 2.06273 -76.12809 638.72772
4720.0000 -79.58704 -77.67324 1.91380 1.97781 -77.00170 549.56069
4725.0000 -78.93670 -77.00396 1.93274 1.93547 -77.43734 534.13796
4730.0000 -79.81162 -76.71448 3.09714 2.00297 -76.74288 602.39584
4735.0000 -79.37065 -76.65632 2.71433 2.01509 -76.61819 645.69405
4740.0000 -79.54483 -76.59819 2.94663 2.02351 -76.53161 635.15745
4745.0000 -78.81849 -76.15390 2.66459 2.06301 -76.12517 664.77814
4750.0000 -79.39563 -76.67654 2.71909 2.02951 -76.46982 606.97359
FREEZING PROCESS: loop number 20 T-loop= 600.00000000000000
main_MD> interactions number 20 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10859 -1.45416 1.16974
force_rgl> df(natom) -1.02460 -1.71329 -0.75573
4755.0000 -78.68169 -76.63754 2.04415 2.02323 -76.53450 622.10481
4760.0000 -78.78957 -76.12435 2.66523 2.04871 -76.27234 633.14234
4765.0000 -78.78792 -76.18011 2.60780 2.07722 -75.97899 672.03371
4770.0000 -79.07572 -76.54747 2.52824 2.01548 -76.61415 600.68365
4775.0000 -78.92103 -76.34797 2.57306 1.99956 -76.77799 590.35851
4780.0000 -79.36687 -75.94815 3.41872 2.09367 -75.80979 694.62981
4785.0000 -79.33227 -77.48453 1.84773 1.99931 -76.78058 587.03726
4790.0000 -79.63106 -76.67004 2.96102 1.94457 -77.34370 551.68111
4795.0000 -78.45730 -75.25325 3.20405 2.07462 -76.00574 657.37688
4800.0000 -78.06376 -75.51169 2.55207 2.10765 -75.66590 696.56078
4805.0000 -79.82990 -77.29588 2.53402 2.03810 -76.38145 623.25545
4810.0000 -80.39284 -77.97299 2.41985 1.91149 -77.68410 504.82649
4815.0000 -78.56661 -76.61766 1.94895 1.92585 -77.53633 533.11688
4820.0000 -79.18886 -77.00500 2.18386 2.01887 -76.57933 607.88551
4825.0000 -79.79136 -77.24266 2.54870 1.97142 -77.06751 577.97210
4830.0000 -79.72518 -77.31817 2.40701 1.94648 -77.32412 553.45044
4835.0000 -79.94048 -77.73997 2.20051 1.93982 -77.39260 520.40928
4840.0000 -80.23842 -77.98816 2.25026 1.89684 -77.83476 489.27137
4845.0000 -79.46777 -77.59245 1.87531 1.89159 -77.88876 462.04220
4850.0000 -79.22494 -76.23659 2.98834 1.99252 -76.85043 582.72552
4855.0000 -79.32350 -77.05129 2.27221 2.02209 -76.54617 652.10174
4860.0000 -79.62192 -76.82752 2.79439 2.00332 -76.73926 614.56261
4865.0000 -78.94838 -76.23624 2.71214 2.03317 -76.43216 618.13785
4870.0000 -79.39620 -77.03995 2.35625 2.01365 -76.63303 595.61575
4875.0000 -79.63229 -77.53526 2.09702 1.95918 -77.19343 560.01199
4880.0000 -79.39316 -77.35493 2.03823 1.95419 -77.24480 557.97889
4885.0000 -78.91595 -76.42830 2.48765 2.00214 -76.75143 598.30788
4890.0000 -79.02043 -76.09296 2.92747 1.99398 -76.83540 580.47828
4895.0000 -79.09289 -76.01627 3.07662 2.04010 -76.36091 617.85042
4900.0000 -79.02121 -77.22104 1.80018 2.00498 -76.72225 593.89271
4905.0000 -79.53350 -77.29725 2.23625 1.96165 -77.16805 545.20956
4910.0000 -79.81639 -77.41139 2.40500 1.90710 -77.72918 525.20076
4915.0000 -79.86611 -77.53077 2.33534 1.92830 -77.51110 526.08790
4920.0000 -79.69722 -76.94965 2.74756 1.93645 -77.42727 531.12299
4925.0000 -79.84570 -77.59276 2.25295 1.99110 -76.86505 606.16492
4930.0000 -79.51594 -77.59260 1.92334 1.93540 -77.43809 549.55116
4935.0000 -79.51052 -77.60766 1.90286 1.90202 -77.78152 518.49275
4940.0000 -79.43213 -77.79318 1.63894 1.90615 -77.73900 471.30315
4945.0000 -79.09851 -76.45848 2.64004 1.94168 -77.37344 548.80375
4950.0000 -78.82172 -76.40792 2.41379 2.01994 -76.56829 624.36900
4955.0000 -79.31313 -76.63268 2.68046 2.00704 -76.70106 602.07795
4960.0000 -79.29544 -76.83144 2.46400 2.03744 -76.38825 625.45342
4965.0000 -78.89601 -76.72398 2.17204 1.99458 -76.82925 576.06682
4970.0000 -78.95611 -76.24987 2.70624 2.03606 -76.40245 624.33872
4975.0000 -78.60098 -76.18452 2.41646 2.02796 -76.48574 623.32505
4980.0000 -79.07504 -77.09493 1.98011 2.00733 -76.69807 599.28736
4985.0000 -78.32809 -75.23654 3.09155 2.03604 -76.40266 627.36311
4990.0000 -77.49777 -74.86091 2.63685 2.16959 -75.02867 716.21516
4995.0000 -78.26037 -75.85942 2.40095 2.18288 -74.89197 726.32011
5000.0000 -79.16977 -76.56989 2.59987 2.10307 -75.71302 671.85235
FREEZING PROCESS: loop number 21 T-loop= 575.00000000000000
main_MD> interactions number 21 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.85396 -0.59213 -0.16122
force_rgl> df(natom) -2.13402 -1.29176 -0.02475
5005.0000 -79.62052 -76.83096 2.78955 2.02674 -76.49837 583.99785
5010.0000 -79.44100 -77.36837 2.07263 1.96119 -77.17272 541.33207
5015.0000 -79.71068 -77.42029 2.29039 1.93456 -77.44667 509.00894
5020.0000 -78.95353 -76.19853 2.75500 1.96330 -77.15107 567.65724
5025.0000 -78.92568 -76.23463 2.69106 2.03490 -76.41437 595.09080
5030.0000 -79.65040 -76.84740 2.80300 2.02043 -76.56322 558.49956
5035.0000 -79.33937 -77.20340 2.13597 2.00477 -76.72439 614.39241
5040.0000 -79.60671 -77.06756 2.53915 2.02251 -76.54184 598.62191
5045.0000 -79.83085 -77.04188 2.78898 1.93979 -77.39287 541.83665
5050.0000 -79.23115 -77.12384 2.10731 1.97620 -77.01831 533.37644
5055.0000 -79.27310 -77.18259 2.09051 1.98444 -76.93356 583.21636
5060.0000 -78.64546 -76.64265 2.00282 1.99878 -76.78596 571.01842
5065.0000 -79.40399 -77.00663 2.39737 2.00141 -76.75895 569.64946
5070.0000 -79.76765 -77.81556 1.95210 1.97056 -77.07630 581.66632
5075.0000 -79.68609 -77.27071 2.41538 1.93606 -77.43127 545.09173
5080.0000 -79.77791 -76.71904 3.05887 1.98564 -76.92124 578.54703
5085.0000 -79.10133 -76.59256 2.50877 2.05404 -76.21746 634.51488
5090.0000 -79.15139 -76.32536 2.82603 2.02590 -76.50696 581.01349
5095.0000 -78.91029 -76.74241 2.16788 2.01511 -76.61798 599.82438
5100.0000 -79.94932 -77.37996 2.56937 2.00655 -76.70609 608.56339
5105.0000 -79.53437 -76.43553 3.09884 1.99498 -76.82507 603.33235
5110.0000 -79.66354 -76.97868 2.68486 2.01496 -76.61955 610.47254
5115.0000 -79.69869 -77.51305 2.18564 1.92666 -77.52798 522.05969
5120.0000 -79.79798 -77.61751 2.18046 1.90981 -77.70134 506.93322
5125.0000 -79.58373 -77.32017 2.26356 1.94116 -77.37879 557.40406
5130.0000 -79.81942 -77.35123 2.46819 1.95260 -77.26108 516.82599
5135.0000 -80.00877 -77.37975 2.62901 1.93298 -77.46297 533.49364
5140.0000 -80.00750 -77.82192 2.18558 1.90907 -77.70891 509.54520
5145.0000 -79.83256 -77.62393 2.20863 1.91077 -77.69146 521.34633
5150.0000 -79.84440 -77.75393 2.09047 1.90050 -77.79712 498.29145
5155.0000 -79.30482 -76.77891 2.52591 1.92670 -77.52761 533.84796
5160.0000 -79.46540 -76.88485 2.58055 1.98223 -76.95623 580.18163
5165.0000 -79.33811 -76.57455 2.76357 2.00619 -76.70977 626.97202
5170.0000 -79.56312 -77.13533 2.42778 1.94865 -77.30173 559.10379
5175.0000 -80.26679 -77.56186 2.70492 1.94146 -77.37574 544.21615
5180.0000 -79.48475 -77.19463 2.29012 1.95244 -77.26278 543.65148
5185.0000 -79.36147 -77.36855 1.99292 1.95176 -77.26980 542.06433
5190.0000 -79.52569 -77.27395 2.25173 1.92590 -77.53578 514.40310
5195.0000 -78.91720 -76.89663 2.02057 1.99412 -76.83397 570.55748
5200.0000 -79.46265 -76.83172 2.63094 1.97425 -77.03840 553.19944
5205.0000 -79.28251 -76.94031 2.34220 1.96125 -77.17209 518.43722
5210.0000 -79.06376 -76.51135 2.55241 2.02801 -76.48524 584.06675
5215.0000 -79.31017 -76.95898 2.35119 2.00311 -76.74149 613.17215
5220.0000 -79.61002 -77.02358 2.58644 1.97757 -77.00417 578.42748
5225.0000 -79.78687 -77.07320 2.71368 1.97227 -77.05874 574.75076
5230.0000 -79.55832 -77.11336 2.44496 1.94740 -77.31463 565.88456
5235.0000 -79.34014 -77.19322 2.14692 1.94066 -77.38393 542.07006
5240.0000 -79.26079 -77.53930 1.72148 1.94764 -77.31216 544.35967
5245.0000 -79.81480 -77.11232 2.70248 1.95804 -77.20515 570.63211
5250.0000 -78.92340 -76.40358 2.51982 1.99277 -76.84781 583.01638
FREEZING PROCESS: loop number 22 T-loop= 550.00000000000000
main_MD> interactions number 22 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.03575 -1.01111 0.35667
force_rgl> df(natom) 5.24957 -0.75630 -1.61954
5255.0000 -79.88403 -76.84403 3.04000 1.99246 -76.85101 578.01733
5260.0000 -79.75378 -77.53573 2.21805 1.97528 -77.02782 591.87764
5265.0000 -79.70527 -77.53352 2.17175 1.96039 -77.18101 567.46987
5270.0000 -79.87668 -77.69420 2.18248 1.92814 -77.51276 521.50232
5275.0000 -79.53474 -76.90483 2.62991 1.95708 -77.21501 550.82186
5280.0000 -79.34832 -76.66589 2.68243 1.98023 -76.97680 589.35198
5285.0000 -79.19714 -76.28832 2.90882 2.00308 -76.74171 598.32100
5290.0000 -79.28810 -77.19250 2.09560 2.02178 -76.54940 641.32204
5295.0000 -79.82865 -78.13952 1.68913 1.93202 -77.47288 544.99016
5300.0000 -79.27923 -77.24722 2.03201 1.91152 -77.68375 504.98753
5305.0000 -79.66709 -77.33987 2.32722 1.94140 -77.37631 535.24839
5310.0000 -79.44420 -77.36326 2.08094 1.93797 -77.41162 521.03408
5315.0000 -79.42232 -76.86102 2.56130 1.93020 -77.49161 523.60926
5320.0000 -79.70611 -77.34979 2.35632 1.96596 -77.12366 568.02797
5325.0000 -78.72099 -76.79414 1.92686 1.98165 -76.96222 588.41445
5330.0000 -79.19131 -76.85745 2.33387 1.99234 -76.85221 575.56805
5335.0000 -79.85486 -77.08273 2.77213 1.97610 -77.01929 581.59222
5340.0000 -79.20105 -76.54784 2.65321 2.00378 -76.73454 625.75909
5345.0000 -79.78048 -76.47096 3.30953 1.98947 -76.88179 611.46269
5350.0000 -80.55320 -78.33400 2.21920 1.92601 -77.53467 536.74430
5355.0000 -80.69192 -78.56961 2.12231 1.85990 -78.21485 483.97185
5360.0000 -80.24555 -77.89542 2.35013 1.86982 -78.11281 479.58974
5365.0000 -80.39022 -78.27611 2.11411 1.90305 -77.77085 509.53073
5370.0000 -79.63311 -77.40182 2.23129 1.88793 -77.92648 493.11323
5375.0000 -79.94444 -78.01081 1.93363 1.92206 -77.57535 545.65338
5380.0000 -78.92186 -76.82771 2.09415 1.92337 -77.56189 519.95687
5385.0000 -79.23316 -76.08766 3.14550 2.03826 -76.37979 609.77025
5390.0000 -79.00996 -76.94296 2.06700 2.02454 -76.52098 601.19302
5395.0000 -79.64510 -76.57710 3.06800 1.99198 -76.85592 600.08355
5400.0000 -79.91701 -77.36570 2.55131 1.96931 -77.08919 573.19323
5405.0000 -80.11336 -78.17024 1.94312 1.89221 -77.88238 479.09350
5410.0000 -79.59195 -77.29007 2.30188 1.90313 -77.77004 491.71674
5415.0000 -80.04738 -77.72486 2.32252 1.94748 -77.31375 565.78053
5420.0000 -80.19386 -77.97375 2.22011 1.89345 -77.86971 487.71747
5425.0000 -78.99545 -77.15418 1.84127 1.93198 -77.47321 538.07781
5430.0000 -79.98914 -76.74576 3.24339 2.00208 -76.75207 601.59694
5435.0000 -79.63477 -77.58717 2.04760 1.97489 -77.03183 568.77272
5440.0000 -79.77554 -77.28390 2.49164 1.92692 -77.52533 510.14144
5445.0000 -79.67706 -76.82722 2.84983 1.95572 -77.22904 565.82355
5450.0000 -79.74646 -77.11699 2.62947 1.97764 -77.00351 582.09220
5455.0000 -78.79098 -76.92262 1.86836 1.97338 -77.04729 585.94566
5460.0000 -78.64818 -76.45766 2.19052 2.02255 -76.54144 577.15134
5465.0000 -79.02045 -77.02620 1.99424 1.96510 -77.13250 543.45932
5470.0000 -79.73136 -77.44987 2.28149 1.94170 -77.37328 516.58686
5475.0000 -79.30532 -76.53377 2.77154 1.93724 -77.41917 540.63732
5480.0000 -79.13547 -76.82649 2.30898 2.03432 -76.42040 611.52523
5485.0000 -79.34571 -77.31225 2.03346 1.96167 -77.16780 565.86992
5490.0000 -78.76896 -75.91397 2.85499 2.02779 -76.48758 600.12878
5495.0000 -79.32656 -76.36663 2.95993 2.05287 -76.22951 620.63267
5500.0000 -79.61994 -76.58854 3.03140 1.98879 -76.88873 570.85851
FREEZING PROCESS: loop number 23 T-loop= 525.00000000000000
main_MD> interactions number 23 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27858 -1.66823 0.00306
force_rgl> df(natom) 2.40491 -0.32381 -1.56222
5505.0000 -79.94289 -77.36436 2.57853 1.98118 -76.96705 571.28726
5510.0000 -79.78319 -77.75740 2.02579 1.90222 -77.77946 529.18904
5515.0000 -79.46533 -77.25118 2.21415 1.94000 -77.39078 541.66544
5520.0000 -80.11961 -77.66987 2.44974 1.93190 -77.47405 519.58514
5525.0000 -79.75453 -77.62000 2.13453 1.92006 -77.59591 515.31915
5530.0000 -80.43756 -77.98874 2.44883 1.89243 -77.88014 490.60108
5535.0000 -79.55715 -77.79911 1.75804 1.90547 -77.74604 516.58820
5540.0000 -79.49776 -77.40595 2.09181 1.92238 -77.57200 529.04414
5545.0000 -79.81542 -77.55141 2.26401 1.94406 -77.34892 562.71585
5550.0000 -80.08781 -78.19923 1.88858 1.90509 -77.74991 501.06307
5555.0000 -79.96217 -77.96100 2.00117 1.86092 -78.20433 461.72774
5560.0000 -79.46235 -77.29870 2.16365 1.92272 -77.56849 517.84274
5565.0000 -79.29138 -76.81895 2.47244 1.97475 -77.03325 565.44271
5570.0000 -79.96534 -77.65405 2.31129 2.01730 -76.59550 614.82118
5575.0000 -79.64470 -77.66667 1.97803 1.90740 -77.72612 495.68014
5580.0000 -80.13794 -77.62378 2.51416 1.93387 -77.45385 519.52792
5585.0000 -79.88572 -77.38945 2.49626 1.92017 -77.59472 521.03650
5590.0000 -79.46842 -77.16542 2.30301 1.96107 -77.17394 585.88170
5595.0000 -79.52559 -77.31103 2.21456 1.94737 -77.31493 564.62531
5600.0000 -79.38994 -77.10902 2.28092 1.96465 -77.13718 570.24740
5605.0000 -79.37058 -76.95426 2.41632 1.94331 -77.35673 528.00954
5610.0000 -79.45343 -76.97498 2.47846 1.98414 -76.93666 562.73397
5615.0000 -79.29291 -77.17601 2.11690 1.96840 -77.09857 575.48602
5620.0000 -79.40990 -77.60520 1.80470 1.92021 -77.59433 531.13098
5625.0000 -80.27422 -78.22596 2.04826 1.90188 -77.78296 511.41790
5630.0000 -79.92385 -77.37566 2.54819 1.89577 -77.84584 514.34311
5635.0000 -80.06957 -77.70431 2.36526 1.90821 -77.71777 536.05307
5640.0000 -80.17702 -77.66633 2.51068 1.91718 -77.62549 510.36681
5645.0000 -79.51258 -77.66025 1.85233 1.89286 -77.87571 484.13093
5650.0000 -79.87645 -77.82602 2.05043 1.90663 -77.73408 523.68508
5655.0000 -79.14370 -77.35948 1.78423 1.90204 -77.78127 512.57054
5660.0000 -80.17219 -78.54997 1.62221 1.88303 -77.97687 469.14182
5665.0000 -80.41539 -78.53164 1.88375 1.85097 -78.30670 423.12755
5670.0000 -79.65343 -76.99546 2.65797 1.90873 -77.71242 513.78416
5675.0000 -79.64032 -77.88463 1.75568 1.88454 -77.96134 489.47378
5680.0000 -79.12377 -76.95214 2.17163 1.94621 -77.32689 492.48327
5685.0000 -79.01555 -77.05256 1.96299 1.99337 -76.84167 582.20324
5690.0000 -79.29902 -77.09224 2.20678 1.99897 -76.78406 582.20153
5695.0000 -79.09493 -77.28355 1.81138 1.95512 -77.23519 521.98968
5700.0000 -80.04191 -77.53027 2.51165 1.96631 -77.12004 536.14452
5705.0000 -79.52556 -77.47217 2.05338 1.96378 -77.14605 532.39255
5710.0000 -78.62592 -76.47611 2.14980 2.01088 -76.66153 568.50980
5715.0000 -80.26860 -77.44413 2.82448 1.97086 -77.07321 591.79160
5720.0000 -79.61188 -77.74006 1.87182 1.90902 -77.70950 497.72058
5725.0000 -80.57401 -78.49134 2.08267 1.89676 -77.83566 499.49766
5730.0000 -79.93592 -77.96938 1.96654 1.87008 -78.11007 473.90810
5735.0000 -80.17741 -77.98811 2.18930 1.87901 -78.01821 485.47152
5740.0000 -79.92555 -77.76732 2.15822 1.91633 -77.63430 526.88022
5745.0000 -79.84748 -77.45161 2.39586 1.91545 -77.64337 515.78167
5750.0000 -79.75810 -77.10033 2.65777 1.99025 -76.87379 585.15410
FREEZING PROCESS: loop number 24 T-loop= 500.00000000000000
main_MD> interactions number 24 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33430 1.06545 -3.87431
force_rgl> df(natom) -1.00503 -2.40605 -1.61834
5755.0000 -79.38078 -77.13097 2.24982 1.99829 -76.79102 589.80496
5760.0000 -79.86443 -77.66509 2.19934 1.92153 -77.58073 512.64696
5765.0000 -80.24793 -77.80053 2.44740 1.90443 -77.75669 494.11999
5770.0000 -80.09196 -77.66349 2.42847 1.90891 -77.71062 492.74938
5775.0000 -80.07373 -78.15269 1.92104 1.88514 -77.95521 491.06419
5780.0000 -79.90161 -77.93643 1.96519 1.87999 -78.00814 478.37779
5785.0000 -80.03732 -77.91751 2.11981 1.87475 -78.06210 492.95794
5790.0000 -79.48399 -77.40408 2.07991 1.90547 -77.74600 511.16753
5795.0000 -80.25641 -77.86821 2.38819 1.94052 -77.38543 530.99365
5800.0000 -80.68600 -78.58767 2.09833 1.84552 -78.36283 462.59084
5805.0000 -80.68429 -78.23480 2.44949 1.82951 -78.52752 432.99037
5810.0000 -79.85604 -77.64737 2.20867 1.88038 -78.00413 504.01519
5815.0000 -79.67066 -77.87589 1.79478 1.91490 -77.64898 518.18202
5820.0000 -79.80400 -77.86053 1.94348 1.92464 -77.54881 514.26981
5825.0000 -79.87220 -77.94769 1.92451 1.86271 -78.18591 455.21765
5830.0000 -80.24678 -78.58112 1.66567 1.85956 -78.21830 451.52043
5835.0000 -79.94796 -77.99916 1.94880 1.82065 -78.61868 423.35341
5840.0000 -79.74999 -78.18503 1.56496 1.90507 -77.75013 491.41511
5845.0000 -80.01505 -78.29046 1.72459 1.82616 -78.56195 422.76114
5850.0000 -79.65351 -77.47389 2.17962 1.89364 -77.86769 490.72746
5855.0000 -79.42936 -77.21696 2.21240 1.95742 -77.21153 585.77430
5860.0000 -79.80911 -77.17227 2.63684 1.94897 -77.29842 558.99422
5865.0000 -79.45274 -77.22935 2.22339 1.95780 -77.20758 577.38549
5870.0000 -80.48885 -78.28129 2.20756 1.90539 -77.74683 528.14644
5875.0000 -80.03003 -78.27962 1.75041 1.85860 -78.22820 463.30499
5880.0000 -80.13837 -78.03378 2.10459 1.85649 -78.24989 426.57648
5885.0000 -79.60642 -77.93184 1.67458 1.88506 -77.95601 459.58342
5890.0000 -79.90193 -77.45239 2.44954 1.89747 -77.82827 479.66207
5895.0000 -79.73612 -78.09209 1.64403 1.90500 -77.75082 530.45962
5900.0000 -80.42234 -78.50956 1.91277 1.89552 -77.84836 511.64115
5905.0000 -79.99886 -77.88261 2.11625 1.85858 -78.22839 476.39597
5910.0000 -79.91310 -78.27934 1.63375 1.85865 -78.22768 469.31423
5915.0000 -80.38533 -78.02732 2.35801 1.85594 -78.25557 482.57567
5920.0000 -79.87594 -77.15873 2.71721 1.92365 -77.55896 549.58426
5925.0000 -79.64535 -77.44321 2.20214 1.93355 -77.45713 547.09012
5930.0000 -79.60441 -77.42595 2.17846 1.92554 -77.53953 549.90425
5935.0000 -80.01552 -78.05950 1.95602 1.89141 -77.89060 500.90545
5940.0000 -79.91644 -77.91504 2.00140 1.90656 -77.73481 515.88063
5945.0000 -79.71088 -76.71220 2.99868 1.93989 -77.39189 543.06443
5950.0000 -79.49527 -77.43154 2.06373 1.95395 -77.24723 542.75721
5955.0000 -80.26944 -78.02046 2.24898 1.91168 -77.68214 504.37619
5960.0000 -79.66672 -77.35292 2.31381 1.89558 -77.84775 486.92822
5965.0000 -78.92991 -77.03260 1.89731 1.95239 -77.26328 542.22726
5970.0000 -80.10987 -78.26095 1.84892 1.90563 -77.74439 494.33452
5975.0000 -79.80392 -77.80817 1.99575 1.86117 -78.20179 453.87218
5980.0000 -79.78482 -77.22840 2.55642 1.92029 -77.59357 499.73863
5985.0000 -80.03443 -77.80853 2.22590 1.92437 -77.55153 491.79033
5990.0000 -79.86303 -77.62448 2.23855 1.91716 -77.62570 514.75371
5995.0000 -80.06189 -78.27231 1.78958 1.89207 -77.88390 487.52747
6000.0000 -79.79022 -77.74254 2.04768 1.86832 -78.12825 455.33055
FREEZING PROCESS: loop number 25 T-loop= 475.00000000000000
main_MD> interactions number 25 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67235 1.10921 2.64922
force_rgl> df(natom) -0.32413 -0.93422 0.42566
6005.0000 -80.08014 -77.79220 2.28794 1.89229 -77.88162 507.36648
6010.0000 -80.57728 -78.28102 2.29626 1.88757 -77.93020 511.01590
6015.0000 -80.30160 -78.46647 1.83514 1.86162 -78.19709 468.44866
6020.0000 -80.35635 -77.93051 2.42584 1.85765 -78.23796 433.50003
6025.0000 -79.75031 -77.57675 2.17356 1.88200 -77.98744 489.66152
6030.0000 -79.73154 -77.63234 2.09920 1.89616 -77.84182 486.86557
6035.0000 -80.03997 -77.63176 2.40821 1.91329 -77.66553 488.81897
6040.0000 -78.99086 -77.21967 1.77119 1.92089 -77.58738 495.00129
6045.0000 -80.53053 -78.49936 2.03116 1.88749 -77.93101 463.49798
6050.0000 -80.40834 -78.66775 1.74059 1.84752 -78.34221 443.31251
6055.0000 -79.85371 -77.55204 2.30167 1.84495 -78.36867 418.28468
6060.0000 -80.04135 -77.92261 2.11874 1.90089 -77.79311 493.00540
6065.0000 -80.19065 -78.10919 2.08146 1.87608 -78.04834 462.79340
6070.0000 -79.75783 -77.28207 2.47576 1.90518 -77.74898 490.13962
6075.0000 -79.94378 -77.81285 2.13093 1.91202 -77.67861 502.24265
6080.0000 -79.67857 -77.51090 2.16768 1.89417 -77.86224 480.85586
6085.0000 -79.72037 -77.63234 2.08803 1.92801 -77.51411 525.22335
6090.0000 -80.00569 -77.95839 2.04729 1.89499 -77.85386 487.36672
6095.0000 -80.05933 -77.31127 2.74807 1.91303 -77.66820 516.99975
6100.0000 -79.69759 -77.60375 2.09383 1.94294 -77.36054 557.57736
6105.0000 -80.19758 -77.80737 2.39022 1.90296 -77.77178 515.21493
6110.0000 -80.02374 -77.97875 2.04499 1.90011 -77.80115 478.98308
6115.0000 -79.56925 -77.45243 2.11681 1.87683 -78.04069 446.13423
6120.0000 -80.05610 -78.03663 2.01948 1.90441 -77.75695 503.12476
6125.0000 -80.09647 -77.95771 2.13876 1.88626 -77.94361 477.33246
6130.0000 -80.27772 -78.30703 1.97069 1.88731 -77.93288 480.66217
6135.0000 -80.07440 -78.19169 1.88271 1.84409 -78.37745 446.46525
6140.0000 -79.91353 -77.59241 2.32113 1.93359 -77.45674 519.21411
6145.0000 -80.17067 -77.93525 2.23543 1.89108 -77.89408 486.37093
6150.0000 -80.38033 -78.72934 1.65099 1.84693 -78.34828 432.83501
6155.0000 -80.35334 -78.44066 1.91268 1.79201 -78.91330 379.34467
6160.0000 -80.12703 -78.03008 2.09696 1.88228 -77.98453 487.89806
6165.0000 -80.63889 -78.66717 1.97172 1.82826 -78.54037 428.25014
6170.0000 -80.33329 -77.51722 2.81607 1.90505 -77.75027 498.90454
6175.0000 -79.43690 -77.40405 2.03285 1.91014 -77.69792 496.23372
6180.0000 -80.20899 -77.78013 2.42886 1.92140 -77.58213 524.42423
6185.0000 -80.08835 -78.01900 2.06935 1.90652 -77.73515 494.84968
6190.0000 -79.77517 -77.59511 2.18006 1.90456 -77.75541 473.86121
6195.0000 -80.24666 -78.25387 1.99280 1.87700 -78.03889 460.47153
6200.0000 -80.15318 -78.66851 1.48467 1.82070 -78.61818 396.52729
6205.0000 -80.38544 -78.61268 1.77276 1.84803 -78.33691 421.56343
6210.0000 -80.55278 -79.00431 1.54848 1.79418 -78.89101 377.43304
6215.0000 -80.37801 -78.65247 1.72554 1.80143 -78.81637 399.30665
6220.0000 -80.02745 -78.35142 1.67603 1.85882 -78.22596 451.48767
6225.0000 -80.24992 -78.81074 1.43918 1.84400 -78.37841 431.18203
6230.0000 -80.18288 -78.76477 1.41811 1.79830 -78.84864 374.60297
6235.0000 -80.32871 -78.86641 1.46230 1.78636 -78.97140 403.37204
6240.0000 -80.18784 -78.18214 2.00570 1.84842 -78.33292 472.89880
6245.0000 -80.50230 -78.23639 2.26591 1.87285 -78.08157 509.67544
6250.0000 -80.78355 -78.69357 2.08999 1.86642 -78.14775 502.49872
FREEZING PROCESS: loop number 26 T-loop= 450.00000000000000
main_MD> interactions number 26 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90269 -0.91355 -0.00856
force_rgl> df(natom) 0.46239 -1.80878 1.02425
6255.0000 -80.85869 -78.91372 1.94496 1.79027 -78.93120 409.44692
6260.0000 -80.40777 -78.39219 2.01557 1.80939 -78.73450 434.15353
6265.0000 -80.76365 -79.44794 1.31571 1.78572 -78.97797 394.61407
6270.0000 -80.39937 -78.05410 2.34527 1.79055 -78.92836 394.30969
6275.0000 -79.99103 -78.18827 1.80275 1.86183 -78.19500 486.87698
6280.0000 -80.24737 -78.47650 1.77087 1.84035 -78.41599 449.87374
6285.0000 -80.14049 -77.97817 2.16232 1.85213 -78.29476 464.90440
6290.0000 -80.22024 -77.90746 2.31278 1.87125 -78.09808 477.61649
6295.0000 -79.76900 -77.65979 2.10921 1.87851 -78.02336 463.51082
6300.0000 -80.15854 -77.77044 2.38810 1.92129 -77.58328 527.46667
6305.0000 -80.31146 -78.22679 2.08468 1.88949 -77.91041 475.62455
6310.0000 -80.28677 -78.16374 2.12303 1.83436 -78.47757 422.39121
6315.0000 -80.39618 -78.29665 2.09953 1.86694 -78.14239 458.96449
6320.0000 -79.93283 -78.18118 1.75166 1.83528 -78.46812 425.61797
6325.0000 -80.45269 -78.94880 1.50389 1.82886 -78.53420 421.33940
6330.0000 -80.00709 -78.62469 1.38240 1.79185 -78.91498 391.92655
6335.0000 -80.16639 -78.28345 1.88293 1.83689 -78.45155 432.21191
6340.0000 -79.59545 -77.48471 2.11075 1.85775 -78.23693 459.08067
6345.0000 -79.97361 -77.62477 2.34884 1.91455 -77.65262 540.26846
6350.0000 -80.18566 -77.83260 2.35306 1.89903 -77.81223 506.00218
6355.0000 -79.97693 -78.51176 1.46517 1.84827 -78.33445 454.25327
6360.0000 -80.16066 -78.19014 1.97052 1.86659 -78.14605 454.62293
6365.0000 -79.94832 -78.00509 1.94323 1.88148 -77.99281 451.31321
6370.0000 -80.06238 -77.90377 2.15861 1.88905 -77.91493 482.01106
6375.0000 -79.89539 -77.86123 2.03416 1.90495 -77.75131 470.57912
6380.0000 -79.60903 -77.67273 1.93630 1.90137 -77.78817 453.13594
6385.0000 -79.64671 -77.58163 2.06508 1.89719 -77.83119 476.69137
6390.0000 -80.47044 -78.28674 2.18370 1.89322 -77.87199 496.28062
6395.0000 -79.99453 -77.79806 2.19647 1.87534 -78.05600 470.21788
6400.0000 -80.41408 -78.44682 1.96726 1.85884 -78.22579 448.00624
6405.0000 -80.29577 -77.85070 2.44507 1.88111 -77.99662 478.43190
6410.0000 -80.43566 -78.27873 2.15693 1.88327 -77.97436 472.36659
6415.0000 -80.15809 -78.37930 1.77879 1.85689 -78.24578 448.30847
6420.0000 -80.77259 -78.92357 1.84902 1.82675 -78.55592 433.09628
6425.0000 -80.17434 -77.88684 2.28750 1.84530 -78.36504 454.55797
6430.0000 -79.73870 -78.10843 1.63027 1.90366 -77.76460 506.79982
6435.0000 -80.19422 -78.43251 1.76171 1.89451 -77.85877 479.45483
6440.0000 -80.48936 -78.06519 2.42417 1.84698 -78.34776 416.23990
6445.0000 -80.06707 -77.70034 2.36674 1.89777 -77.82518 471.59340
6450.0000 -79.63997 -78.08124 1.55873 1.92011 -77.59537 488.45483
6455.0000 -80.20040 -78.43735 1.76305 1.86702 -78.14162 467.59109
6460.0000 -80.10389 -77.66973 2.43416 1.86103 -78.20320 461.05520
6465.0000 -79.83316 -78.02657 1.80659 1.91077 -77.69148 533.97611
6470.0000 -80.61685 -78.71522 1.90163 1.83910 -78.42884 448.01576
6475.0000 -80.38228 -78.70561 1.67666 1.82381 -78.58619 431.67791
6480.0000 -80.50379 -78.80232 1.70147 1.78876 -78.94674 374.25046
6485.0000 -80.27068 -78.54023 1.73045 1.82182 -78.60662 426.35680
6490.0000 -79.66804 -77.13548 2.53256 1.89801 -77.82273 503.13447
6495.0000 -80.26083 -77.94381 2.31702 1.92514 -77.54367 523.50967
6500.0000 -80.55319 -78.20532 2.34788 1.86963 -78.11476 480.89388
FREEZING PROCESS: loop number 27 T-loop= 425.00000000000000
main_MD> interactions number 27 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00538 1.25639 -0.61392
force_rgl> df(natom) 1.63743 0.07301 -0.50008
6505.0000 -80.66318 -78.17853 2.48464 1.84494 -78.36875 460.58508
6510.0000 -80.66734 -78.70124 1.96609 1.81449 -78.68204 428.14800
6515.0000 -80.99415 -79.28064 1.71351 1.78958 -78.93827 382.37802
6520.0000 -80.45131 -79.06743 1.38388 1.76626 -79.17826 367.05927
6525.0000 -80.27663 -78.65679 1.61984 1.80160 -78.81461 406.09081
6530.0000 -80.17686 -78.50230 1.67456 1.81972 -78.62819 418.39008
6535.0000 -80.32836 -78.58344 1.74492 1.81046 -78.72349 417.36544
6540.0000 -80.60549 -78.86531 1.74019 1.79323 -78.90078 396.31222
6545.0000 -80.37718 -78.84320 1.53398 1.79245 -78.90881 399.70909
6550.0000 -80.55770 -79.22290 1.33480 1.76174 -79.22469 367.31405
6555.0000 -80.68676 -79.06668 1.62008 1.77291 -79.10982 369.20339
6560.0000 -80.81998 -79.22292 1.59706 1.78077 -79.02894 377.96683
6565.0000 -79.78601 -78.19511 1.59091 1.80844 -78.74425 417.70922
6570.0000 -80.43149 -78.65385 1.77764 1.84490 -78.36915 429.60400
6575.0000 -80.45383 -78.95967 1.49416 1.77710 -79.06668 388.20576
6580.0000 -80.24170 -79.08360 1.15810 1.79681 -78.86391 398.12677
6585.0000 -80.68433 -79.11347 1.57086 1.77398 -79.09884 380.67778
6590.0000 -80.43692 -78.79712 1.63980 1.75627 -79.28103 364.12314
6595.0000 -80.32132 -78.37829 1.94303 1.80463 -78.78348 398.14600
6600.0000 -79.93979 -77.45607 2.48372 1.89733 -77.82978 491.83777
6605.0000 -80.43607 -78.28369 2.15238 1.92424 -77.55290 526.05989
6610.0000 -80.26354 -78.59049 1.67305 1.83283 -78.49332 426.85208
6615.0000 -80.62219 -78.74520 1.87699 1.81580 -78.66856 405.03388
6620.0000 -81.02068 -79.14779 1.87290 1.79452 -78.88749 403.66293
6625.0000 -80.64124 -78.92276 1.71849 1.80186 -78.81201 412.55344
6630.0000 -80.40953 -78.83675 1.57278 1.81730 -78.65309 428.78572
6635.0000 -80.53526 -78.51921 2.01605 1.82087 -78.61642 413.41046
6640.0000 -79.62043 -77.38135 2.23908 1.88785 -77.92726 484.82234
6645.0000 -79.14721 -77.49687 1.65034 1.92595 -77.53527 505.20233
6650.0000 -80.36520 -78.59100 1.77420 1.85995 -78.21434 447.78630
6655.0000 -80.35011 -78.47541 1.87469 1.84452 -78.37310 448.71823
6660.0000 -80.59296 -78.71662 1.87634 1.81630 -78.66345 431.91584
6665.0000 -80.62440 -78.77136 1.85305 1.82634 -78.56012 440.75576
6670.0000 -80.86334 -78.67015 2.19319 1.79803 -78.85141 401.91252
6675.0000 -80.61720 -78.62234 1.99486 1.82431 -78.58104 443.43541
6680.0000 -80.43994 -78.27405 2.16590 1.83137 -78.50832 440.82230
6685.0000 -81.11170 -78.90997 2.20173 1.83181 -78.50379 432.03766
6690.0000 -80.50797 -78.90053 1.60744 1.78711 -78.96369 403.75111
6695.0000 -80.78694 -79.03889 1.74805 1.81149 -78.71290 426.40784
6700.0000 -80.45079 -78.83309 1.61770 1.79425 -78.89025 397.29950
6705.0000 -80.55500 -78.59257 1.96243 1.80820 -78.74669 388.62631
6710.0000 -80.38260 -78.28389 2.09872 1.81833 -78.64251 414.98838
6715.0000 -80.41710 -78.29531 2.12179 1.85833 -78.23102 465.72258
6720.0000 -80.58061 -78.66714 1.91347 1.82195 -78.60527 421.61566
6725.0000 -80.43854 -78.75501 1.68352 1.80784 -78.75045 405.91899
6730.0000 -80.69583 -79.02510 1.67073 1.78464 -78.98910 393.09933
6735.0000 -80.72743 -78.92568 1.80175 1.79914 -78.83999 388.44806
6740.0000 -80.80629 -78.73776 2.06853 1.81439 -78.68306 412.64799
6745.0000 -81.32213 -79.29829 2.02384 1.78586 -78.97655 412.90164
6750.0000 -80.43417 -78.68210 1.75206 1.79017 -78.93224 414.28698
FREEZING PROCESS: loop number 28 T-loop= 400.00000000000000
main_MD> interactions number 28 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62793 -1.33587 -0.69470
force_rgl> df(natom) -1.01324 -1.42051 0.22094
6755.0000 -80.80279 -79.28721 1.51558 1.79759 -78.85587 415.91460
6760.0000 -80.71374 -78.97149 1.74225 1.79761 -78.85568 427.50711
6765.0000 -80.88798 -78.83868 2.04930 1.78849 -78.94951 404.27943
6770.0000 -81.24790 -79.18345 2.06446 1.79034 -78.93050 408.43731
6775.0000 -80.34865 -78.80134 1.54732 1.81680 -78.65823 420.31062
6780.0000 -80.85665 -79.07152 1.78513 1.78171 -79.01929 383.54126
6785.0000 -80.46419 -79.11258 1.35161 1.77468 -79.09161 396.11972
6790.0000 -80.40420 -79.16974 1.23446 1.79296 -78.90352 422.95586
6795.0000 -81.11581 -79.37089 1.74492 1.75633 -79.28043 373.37348
6800.0000 -80.53702 -78.82864 1.70838 1.75358 -79.30864 369.97435
6805.0000 -80.14279 -78.35698 1.78581 1.83435 -78.47774 451.82265
6810.0000 -80.50467 -78.36435 2.14032 1.84434 -78.37497 456.14907
6815.0000 -80.54241 -78.55649 1.98592 1.83265 -78.49516 433.53945
6820.0000 -80.82503 -79.13765 1.68738 1.79161 -78.91741 398.00374
6825.0000 -80.82389 -79.08887 1.73503 1.78662 -78.96879 418.19476
6830.0000 -81.08003 -79.47413 1.60590 1.75054 -79.34001 365.07926
6835.0000 -80.61400 -78.83137 1.78262 1.76882 -79.15189 382.47805
6840.0000 -80.55959 -79.08056 1.47903 1.79545 -78.87790 411.15088
6845.0000 -80.48921 -79.05399 1.43522 1.79491 -78.88343 393.38562
6850.0000 -80.68935 -78.94594 1.74341 1.79541 -78.87828 394.72414
6855.0000 -80.62383 -78.88734 1.73649 1.78371 -78.99870 379.00903
6860.0000 -80.23015 -78.46045 1.76969 1.81916 -78.63396 406.98450
6865.0000 -80.20709 -78.37967 1.82742 1.85482 -78.26711 450.61569
6870.0000 -80.49847 -78.53238 1.96609 1.83497 -78.47128 440.05392
6875.0000 -80.44847 -78.96305 1.48541 1.83610 -78.45969 430.05038
6880.0000 -80.16550 -77.89972 2.26578 1.82614 -78.56218 418.42237
6885.0000 -80.65143 -78.95918 1.69225 1.86723 -78.13944 472.53315
6890.0000 -80.92802 -78.96007 1.96796 1.80469 -78.78290 427.09890
6895.0000 -80.73113 -79.40565 1.32548 1.73638 -79.48561 350.62566
6900.0000 -81.10134 -79.30549 1.79585 1.75287 -79.31594 366.02245
6905.0000 -80.86506 -79.42916 1.43590 1.73082 -79.54284 345.80605
6910.0000 -81.09729 -79.65902 1.43828 1.70813 -79.77627 322.77012
6915.0000 -80.67531 -79.14918 1.52614 1.75378 -79.30666 348.72148
6920.0000 -80.76562 -79.19184 1.57378 1.77818 -79.05558 383.67340
6925.0000 -80.83176 -79.21265 1.61911 1.77759 -79.06163 383.51926
6930.0000 -80.80653 -79.31139 1.49514 1.76526 -79.18848 362.72772
6935.0000 -80.78362 -79.24002 1.54360 1.76611 -79.17976 358.06337
6940.0000 -80.37474 -78.39884 1.97590 1.82067 -78.61843 428.74182
6945.0000 -80.66927 -78.58348 2.08579 1.84233 -78.39556 453.41552
6950.0000 -80.77966 -79.12958 1.65007 1.79998 -78.83136 418.97798
6955.0000 -80.98425 -79.21468 1.76956 1.75652 -79.27849 379.35907
6960.0000 -80.53352 -78.85301 1.68051 1.79244 -78.90885 420.60835
6965.0000 -80.87697 -78.86527 2.01170 1.82779 -78.54515 449.86044
6970.0000 -80.70322 -79.02110 1.68211 1.75417 -79.30260 347.88548
6975.0000 -81.09885 -79.30998 1.78887 1.77599 -79.07808 405.24299
6980.0000 -80.66806 -79.10075 1.56731 1.76662 -79.17450 395.39054
6985.0000 -80.82255 -79.25611 1.56644 1.74756 -79.37057 368.20499
6990.0000 -80.59651 -79.24236 1.35415 1.74287 -79.41884 361.50722
6995.0000 -80.78616 -78.95620 1.82996 1.76212 -79.22085 388.36817
7000.0000 -80.24998 -78.08079 2.16919 1.81430 -78.68395 420.78561
FREEZING PROCESS: loop number 29 T-loop= 375.00000000000000
main_MD> interactions number 29 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09201 1.36199 -2.07042
force_rgl> df(natom) -0.11761 0.52091 -0.57101
7005.0000 -80.66782 -78.97956 1.68826 1.81375 -78.68959 425.69086
7010.0000 -81.01865 -79.21887 1.79978 1.80377 -78.79235 417.78560
7015.0000 -80.78107 -79.52280 1.25827 1.74503 -79.39669 354.82834
7020.0000 -80.97179 -79.00474 1.96705 1.75159 -79.32919 374.83724
7025.0000 -81.16956 -79.09481 2.07475 1.79715 -78.86042 437.37663
7030.0000 -81.22143 -79.74302 1.47841 1.72151 -79.63859 342.29451
7035.0000 -81.36348 -79.89817 1.46532 1.71271 -79.72917 321.92368
7040.0000 -81.10947 -79.53604 1.57343 1.74620 -79.38460 369.19727
7045.0000 -80.95821 -79.30249 1.65572 1.72790 -79.57288 347.67625
7050.0000 -80.76215 -79.42391 1.33823 1.77493 -79.08902 388.41745
7055.0000 -80.64445 -79.35255 1.29190 1.75357 -79.30879 367.29233
7060.0000 -80.55275 -79.31397 1.23878 1.76820 -79.15824 377.72976
7065.0000 -80.98681 -79.25314 1.73367 1.74586 -79.38812 355.39743
7070.0000 -80.51272 -78.65658 1.85614 1.78155 -79.02090 405.02756
7075.0000 -80.96498 -79.38796 1.57702 1.77156 -79.12371 379.28721
7080.0000 -81.25369 -79.65788 1.59581 1.73173 -79.53346 351.74349
7085.0000 -81.33607 -79.91752 1.41855 1.72346 -79.61862 335.40345
7090.0000 -81.27413 -80.18922 1.08492 1.70002 -79.85971 308.03310
7095.0000 -80.94403 -79.51787 1.42616 1.70422 -79.81650 321.78189
7100.0000 -80.88676 -79.40336 1.48340 1.72437 -79.60920 335.41757
7105.0000 -81.03535 -79.22759 1.80776 1.73862 -79.46261 354.90089
7110.0000 -80.59205 -78.87912 1.71293 1.74980 -79.34752 367.62758
7115.0000 -81.48413 -80.15422 1.32991 1.72813 -79.57054 342.83312
7120.0000 -81.12021 -79.75362 1.36659 1.71831 -79.67154 333.49532
7125.0000 -81.21346 -79.50194 1.71152 1.74105 -79.43757 364.53010
7130.0000 -80.96145 -79.54442 1.41703 1.73019 -79.54932 354.16927
7135.0000 -80.60356 -79.25734 1.34622 1.75885 -79.25451 382.18766
7140.0000 -80.88376 -79.37473 1.50902 1.73752 -79.47395 353.91262
7145.0000 -81.22145 -79.61804 1.60341 1.75351 -79.30939 379.80541
7150.0000 -81.01273 -79.73240 1.28033 1.70665 -79.79148 331.21536
7155.0000 -81.33965 -79.90498 1.43467 1.70606 -79.79762 322.37043
7160.0000 -80.60393 -79.25832 1.34561 1.73235 -79.52705 350.19500
7165.0000 -80.68374 -78.81019 1.87355 1.75412 -79.30316 378.27269
7170.0000 -80.90659 -79.41635 1.49023 1.78665 -78.96842 413.43988
7175.0000 -80.85206 -79.14642 1.70563 1.76324 -79.20926 383.22664
7180.0000 -81.11973 -79.02340 2.09633 1.79180 -78.91542 427.94856
7185.0000 -81.21207 -79.40959 1.80249 1.76240 -79.21797 379.80275
7190.0000 -80.93963 -79.24146 1.69817 1.74931 -79.35265 366.36769
7195.0000 -80.75334 -79.22092 1.53243 1.75355 -79.30899 372.30468
7200.0000 -80.95778 -79.37422 1.58356 1.75062 -79.33915 377.21534
7205.0000 -80.76689 -79.06266 1.70422 1.76949 -79.14502 389.46631
7210.0000 -81.20986 -79.80698 1.40288 1.73025 -79.54868 345.59241
7215.0000 -81.26751 -79.98360 1.28392 1.72238 -79.62963 330.52515
7220.0000 -80.84773 -79.47181 1.37591 1.71950 -79.65930 333.39339
7225.0000 -81.04009 -79.21224 1.82786 1.74925 -79.35325 360.47288
7230.0000 -80.82023 -79.32721 1.49302 1.77242 -79.11485 388.15136
7235.0000 -80.74653 -78.94235 1.80417 1.77273 -79.11165 378.62946
7240.0000 -80.86488 -79.32607 1.53881 1.75036 -79.34182 355.37561
7245.0000 -80.60510 -79.39748 1.20762 1.75477 -79.29643 345.30716
7250.0000 -81.04980 -79.47856 1.57125 1.76680 -79.17271 370.20178
FREEZING PROCESS: loop number 30 T-loop= 350.00000000000000
main_MD> interactions number 30 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.42614 0.49824 -0.33010
force_rgl> df(natom) 1.10186 -0.73047 0.25290
7255.0000 -80.54797 -79.25012 1.29785 1.72791 -79.57274 324.71272
7260.0000 -81.17448 -79.30365 1.87082 1.76793 -79.16102 369.46017
7265.0000 -80.91192 -79.19782 1.71410 1.75673 -79.27632 344.68375
7270.0000 -80.99906 -79.52246 1.47660 1.75077 -79.33760 349.01641
7275.0000 -81.09699 -79.69524 1.40175 1.73375 -79.51275 352.75626
7280.0000 -81.16124 -79.65580 1.50543 1.71961 -79.65821 338.62713
7285.0000 -81.09481 -79.41001 1.68480 1.73134 -79.53746 345.95368
7290.0000 -80.71381 -79.40348 1.31033 1.76601 -79.18076 364.63884
7295.0000 -80.52755 -79.07421 1.45334 1.75162 -79.32882 363.41148
7300.0000 -80.46987 -78.96631 1.50357 1.79036 -78.93029 408.77345
7305.0000 -80.69197 -79.16552 1.52644 1.77314 -79.10741 405.01353
7310.0000 -80.96432 -79.48342 1.48091 1.74308 -79.41668 370.95178
7315.0000 -80.97723 -79.38770 1.58953 1.72479 -79.60485 338.46451
7320.0000 -81.15179 -79.50049 1.65130 1.76109 -79.23140 387.73946
7325.0000 -80.99156 -78.99761 1.99394 1.77176 -79.12159 395.99361
7330.0000 -81.13081 -79.42633 1.70448 1.74317 -79.41580 353.73272
7335.0000 -81.19857 -79.53978 1.65879 1.73613 -79.48826 351.72031
7340.0000 -80.82525 -79.64522 1.18003 1.74411 -79.40613 358.17871
7345.0000 -81.17637 -79.54780 1.62856 1.72135 -79.64030 329.04547
7350.0000 -80.77827 -79.09592 1.68235 1.74254 -79.42231 352.97308
7355.0000 -80.72524 -78.90813 1.81710 1.77957 -79.04124 399.13101
7360.0000 -81.01518 -79.66605 1.34912 1.76726 -79.16795 388.09519
7365.0000 -81.04727 -79.48602 1.56126 1.74180 -79.42991 349.11308
7370.0000 -81.10336 -80.03452 1.06885 1.73170 -79.53375 356.49366
7375.0000 -80.80396 -79.56327 1.24069 1.70815 -79.77606 316.53129
7380.0000 -81.27682 -79.49472 1.78211 1.70929 -79.76433 320.72342
7385.0000 -80.62659 -79.20402 1.42257 1.75898 -79.25317 370.01174
7390.0000 -81.28338 -79.48946 1.79392 1.74955 -79.35019 365.66387
7395.0000 -80.99229 -79.59317 1.39912 1.74996 -79.34594 369.33263
7400.0000 -81.22027 -79.25719 1.96308 1.74804 -79.36568 358.86461
7405.0000 -80.80542 -79.14623 1.65918 1.75631 -79.28061 383.72080
7410.0000 -81.40785 -79.92650 1.48136 1.72213 -79.63229 345.37313
7415.0000 -81.69604 -80.58803 1.10801 1.65057 -80.36853 257.55279
7420.0000 -81.20651 -79.88857 1.31794 1.68773 -79.98612 306.17649
7425.0000 -80.84217 -79.66495 1.17722 1.72977 -79.55369 345.68102
7430.0000 -80.92266 -79.51026 1.41240 1.73925 -79.45611 348.78167
7435.0000 -81.07530 -79.81078 1.26451 1.72305 -79.62280 303.80047
7440.0000 -80.93640 -79.31401 1.62239 1.73471 -79.50279 331.98737
7445.0000 -81.09866 -79.41602 1.68264 1.76093 -79.23307 364.25476
7450.0000 -81.05942 -79.90104 1.15838 1.70964 -79.76078 311.39873
7455.0000 -80.78866 -79.47979 1.30887 1.74982 -79.34740 347.32451
7460.0000 -81.11683 -79.66962 1.44721 1.73561 -79.49352 334.75595
7465.0000 -80.79394 -79.24490 1.54904 1.71657 -79.68943 315.59584
7470.0000 -81.06096 -79.72887 1.33208 1.75722 -79.27126 359.12153
7475.0000 -81.38349 -80.02016 1.36333 1.71625 -79.69279 326.36691
7480.0000 -81.03929 -79.82184 1.21745 1.69287 -79.93327 299.85405
7485.0000 -80.93772 -79.58323 1.35449 1.72534 -79.59926 335.56327
7490.0000 -80.99509 -79.78168 1.21341 1.72968 -79.55462 327.03902
7495.0000 -80.82370 -79.52032 1.30338 1.71001 -79.75692 299.53960
7500.0000 -80.64336 -78.65390 1.98946 1.76980 -79.14185 371.57378
FREEZING PROCESS: loop number 31 T-loop= 325.00000000000000
main_MD> interactions number 31 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12091 -0.37180 -0.50111
force_rgl> df(natom) -1.24451 1.91488 2.51426
7505.0000 -80.87416 -79.62536 1.24879 1.76314 -79.21031 372.34518
7510.0000 -80.83781 -79.18883 1.64897 1.74576 -79.38913 340.67076
7515.0000 -80.94300 -79.21355 1.72946 1.76904 -79.14960 365.89428
7520.0000 -81.13931 -79.86746 1.27185 1.72191 -79.63448 314.26739
7525.0000 -80.71193 -79.49526 1.21667 1.72251 -79.62838 323.40137
7530.0000 -81.03760 -79.37170 1.66591 1.75611 -79.28261 363.90695
7535.0000 -81.38537 -80.20101 1.18436 1.71379 -79.71808 333.11646
7540.0000 -81.10868 -80.15844 0.95024 1.67259 -80.14191 274.78729
7545.0000 -80.91663 -79.60619 1.31044 1.67958 -80.06999 288.32013
7550.0000 -81.06411 -79.59570 1.46841 1.71753 -79.67959 334.11622
7555.0000 -81.01711 -79.49801 1.51909 1.72493 -79.60340 335.40342
7560.0000 -81.18894 -79.98223 1.20671 1.70970 -79.76017 318.55905
7565.0000 -81.02778 -79.51912 1.50866 1.73470 -79.50292 346.43095
7570.0000 -80.79748 -79.39177 1.40571 1.74471 -79.39989 364.69907
7575.0000 -81.44598 -80.19532 1.25066 1.71874 -79.66714 330.62820
7580.0000 -81.34462 -79.89599 1.44863 1.68527 -80.01146 297.50946
7585.0000 -81.16699 -79.70050 1.46650 1.70511 -79.80741 319.45752
7590.0000 -81.09405 -79.49833 1.59572 1.71048 -79.75208 326.37348
7595.0000 -80.92785 -79.45924 1.46862 1.72371 -79.61600 333.97383
7600.0000 -80.94590 -79.69929 1.24660 1.73626 -79.48683 360.51927
7605.0000 -81.14155 -79.68429 1.45726 1.71936 -79.66076 337.97760
7610.0000 -81.22130 -80.17091 1.05039 1.71680 -79.68705 335.54142
7615.0000 -81.24143 -80.19981 1.04162 1.66905 -80.17836 274.62769
7620.0000 -81.10633 -79.71158 1.39475 1.68660 -79.99777 297.75724
7625.0000 -81.28285 -79.88540 1.39745 1.71635 -79.69177 330.46214
7630.0000 -80.95964 -79.86895 1.09069 1.69382 -79.92347 309.39681
7635.0000 -80.95804 -79.46604 1.49200 1.72467 -79.60610 339.53706
7640.0000 -80.81049 -79.35060 1.45989 1.73254 -79.52512 352.09232
7645.0000 -81.39767 -80.20798 1.18969 1.69992 -79.86076 314.49141
7650.0000 -81.35286 -79.83027 1.52259 1.68428 -80.02165 287.68658
7655.0000 -80.97133 -79.68865 1.28269 1.71988 -79.65539 338.77950
7660.0000 -81.15729 -80.06011 1.09718 1.71040 -79.75289 323.83495
7665.0000 -81.32045 -79.89688 1.42357 1.70085 -79.85120 318.31995
7670.0000 -81.28559 -80.31402 0.97157 1.66329 -80.23762 267.61884
7675.0000 -81.58460 -80.43290 1.15170 1.66131 -80.25800 267.54104
7680.0000 -81.36049 -80.18808 1.17242 1.66963 -80.17239 271.62099
7685.0000 -81.48415 -79.96022 1.52393 1.69570 -79.90420 303.71308
7690.0000 -81.26823 -79.87096 1.39726 1.68874 -79.97578 302.65939
7695.0000 -81.33958 -79.94807 1.39151 1.69454 -79.91611 301.56797
7700.0000 -81.11740 -80.09582 1.02159 1.70178 -79.84162 317.30079
7705.0000 -81.19805 -79.89337 1.30468 1.68506 -80.01359 293.44126
7710.0000 -81.08968 -79.75588 1.33380 1.69296 -79.93232 299.93710
7715.0000 -81.00182 -79.50486 1.49696 1.75081 -79.33718 367.71462
7720.0000 -81.18254 -79.81181 1.37074 1.71101 -79.74667 321.07194
7725.0000 -81.21562 -79.75128 1.46433 1.69331 -79.92872 305.11388
7730.0000 -81.09810 -79.69302 1.40508 1.72368 -79.61632 341.43892
7735.0000 -81.10670 -79.76535 1.34135 1.69978 -79.86217 317.77391
7740.0000 -81.06006 -79.94778 1.11227 1.69418 -79.91981 313.10617
7745.0000 -81.08112 -79.74056 1.34056 1.69883 -79.87195 311.03220
7750.0000 -81.35180 -79.56813 1.78367 1.71359 -79.72015 334.95380
FREEZING PROCESS: loop number 32 T-loop= 300.00000000000000
main_MD> interactions number 32 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85933 1.17717 0.64642
force_rgl> df(natom) 1.33548 -1.00980 -0.35368
7755.0000 -80.93078 -79.62959 1.30119 1.71879 -79.66663 328.11376
7760.0000 -81.34629 -79.74623 1.60005 1.71346 -79.72150 328.67962
7765.0000 -81.22045 -79.78011 1.44034 1.71333 -79.72275 325.38724
7770.0000 -81.16236 -79.91454 1.24782 1.69933 -79.86680 315.85915
7775.0000 -81.22622 -79.82606 1.40017 1.71708 -79.68418 325.84247
7780.0000 -81.36938 -80.06669 1.30270 1.68133 -80.05205 289.39024
7785.0000 -81.61642 -80.15223 1.46420 1.69260 -79.93606 303.77011
7790.0000 -81.34409 -80.32192 1.02217 1.66020 -80.26940 265.07767
7795.0000 -81.24116 -80.35329 0.88787 1.66226 -80.24822 262.43868
7800.0000 -81.26258 -80.30733 0.95525 1.64993 -80.37508 250.59125
7805.0000 -81.43721 -80.17470 1.26252 1.67078 -80.16052 287.83079
7810.0000 -81.28191 -79.95300 1.32891 1.69128 -79.94968 300.32346
7815.0000 -80.69092 -79.74876 0.94217 1.67234 -80.14452 277.97379
7820.0000 -81.53020 -80.33869 1.19151 1.68537 -80.01046 287.31940
7825.0000 -81.26194 -80.18152 1.08043 1.66374 -80.23294 272.15858
7830.0000 -81.53578 -80.45992 1.07586 1.66368 -80.23363 264.87075
7835.0000 -81.24451 -80.01416 1.23035 1.66063 -80.26497 262.00436
7840.0000 -81.41640 -79.90750 1.50890 1.68062 -80.05928 293.36246
7845.0000 -81.10967 -79.82570 1.28397 1.71203 -79.73615 324.60818
7850.0000 -81.52622 -79.92644 1.59978 1.69916 -79.86861 310.15509
7855.0000 -81.48180 -80.50597 0.97583 1.65532 -80.31959 262.42195
7860.0000 -81.28001 -80.22688 1.05313 1.65441 -80.32899 262.02853
7865.0000 -81.07626 -79.89685 1.17941 1.68412 -80.02328 296.45189
7870.0000 -81.24716 -79.97134 1.27582 1.67337 -80.13392 283.54357
7875.0000 -81.16009 -79.73205 1.42805 1.69371 -79.92462 299.17418
7880.0000 -81.53986 -80.00856 1.53130 1.68263 -80.03859 295.06921
7885.0000 -81.23930 -80.25949 0.97981 1.66669 -80.20261 274.63561
7890.0000 -81.11108 -80.00234 1.10874 1.66452 -80.22496 272.44864
7895.0000 -81.25228 -80.23139 1.02089 1.67246 -80.14325 283.90287
7900.0000 -81.39248 -80.11854 1.27394 1.68244 -80.04060 295.78877
7905.0000 -81.28050 -79.83478 1.44573 1.68666 -79.99722 297.62391
7910.0000 -80.94519 -79.52706 1.41813 1.71696 -79.68547 332.06085
7915.0000 -81.10343 -79.61926 1.48417 1.72532 -79.59941 349.67371
7920.0000 -81.24485 -79.77921 1.46564 1.68875 -79.97569 300.00878
7925.0000 -81.21288 -79.89088 1.32199 1.70093 -79.85036 315.55288
7930.0000 -81.27484 -79.87030 1.40454 1.69585 -79.90265 305.39734
7935.0000 -81.26890 -79.79599 1.47291 1.72219 -79.63162 339.15769
7940.0000 -81.24913 -80.16986 1.07927 1.71089 -79.74785 325.80478
7945.0000 -81.14130 -80.13209 1.00921 1.68368 -80.02788 292.53073
7950.0000 -81.08822 -79.67878 1.40944 1.69595 -79.90164 298.34894
7955.0000 -81.24493 -79.64195 1.60298 1.71792 -79.67557 310.51289
7960.0000 -81.15655 -79.93835 1.21821 1.70119 -79.84771 294.37105
7965.0000 -81.28769 -79.99119 1.29650 1.70678 -79.79018 301.18069
7970.0000 -80.94932 -79.86514 1.08418 1.68163 -80.04893 271.78548
7975.0000 -81.20222 -79.75957 1.44265 1.69816 -79.87890 298.71430
7980.0000 -81.13923 -79.80245 1.33678 1.69072 -79.95538 303.84285
7985.0000 -80.77343 -79.60113 1.17230 1.69950 -79.86502 321.81784
7990.0000 -81.21278 -79.91298 1.29980 1.68462 -80.01819 296.65816
7995.0000 -81.14892 -80.14535 1.00357 1.66708 -80.19857 276.99658
8000.0000 -80.93922 -79.42912 1.51010 1.70016 -79.85833 315.92336
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 16.7993704 [s].
main_MD> Deallocating global variables
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