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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_25/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_25.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 = 25 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 25 2500
main_MD> Size of nv and nvoiz: 25 2500
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 = 25
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> 7.6153223615577581E-002 -2.8654780299009700E-002 -0.24725638712213738 initial drift of cluster / NP1 for coalescence
init> 0.46197110907272582 0.36892663201471221 0.26126100206621067 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6091242618559879E-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) 5.08507 -1.41262 -1.52380
force_rgl> df(natom) 0.38754 -0.99921 -2.10031
preparo> THERMALIZATION PROCESS AT 1123.6299998305296
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -54.617358231181129 2.4427014934898743 -57.060059724671000 5.0843655292471970E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1105.0000000000000
main_MD> interactions number 1 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39238 -1.10658 -0.64801
force_rgl> df(natom) 0.39142 2.22231 0.48496
5.0000 -56.24430 -52.29310 3.95120 2.33921 -53.75006 930.75305
10.0000 -56.46283 -51.86479 4.59804 2.48115 -52.53647 1111.30890
15.0000 -57.17225 -52.66764 4.50461 2.48566 -52.49792 1167.94898
20.0000 -56.29994 -53.25504 3.04490 2.49400 -52.42657 1098.23273
25.0000 -56.80758 -53.05393 3.75365 2.37275 -53.46325 1011.10199
30.0000 -55.61652 -51.01249 4.60403 2.49949 -52.37969 1122.30300
35.0000 -55.99293 -51.62605 4.36688 2.63218 -51.24514 1345.66877
40.0000 -56.27489 -52.51034 3.76455 2.54769 -51.96756 1178.60960
45.0000 -56.98943 -53.45742 3.53201 2.45832 -52.73166 1101.34556
50.0000 -55.34038 -51.80598 3.53440 2.47959 -52.54984 1073.31411
55.0000 -56.93994 -53.17777 3.76217 2.36884 -53.49673 973.47772
60.0000 -56.78943 -53.44346 3.34597 2.39418 -53.28004 1038.98894
65.0000 -56.53912 -53.91942 2.61970 2.36076 -53.56576 1011.43117
70.0000 -56.94769 -52.93845 4.00924 2.33076 -53.82225 923.90886
75.0000 -56.90556 -53.33757 3.56799 2.40946 -53.14936 1038.13437
80.0000 -55.66236 -53.06990 2.59246 2.37274 -53.46332 923.79433
85.0000 -56.74990 -53.73347 3.01642 2.43359 -52.94308 1050.98697
90.0000 -56.43631 -52.91917 3.51714 2.47477 -52.59104 1162.89407
95.0000 -55.24642 -50.78621 4.46021 2.57756 -51.71213 1221.41317
100.0000 -55.10300 -51.58725 3.51575 2.67778 -50.85531 1354.81946
105.0000 -56.09817 -52.12282 3.97535 2.61791 -51.36717 1225.05633
110.0000 -55.86506 -52.17817 3.68689 2.51909 -52.21207 1211.94601
115.0000 -56.69782 -53.33426 3.36356 2.48511 -52.50259 1133.89029
120.0000 -56.61943 -53.67747 2.94196 2.40470 -53.19006 1027.49526
125.0000 -56.16702 -51.79879 4.36823 2.51977 -52.20630 1176.32020
130.0000 -56.93758 -53.67770 3.25988 2.35053 -53.65322 996.32399
135.0000 -56.70067 -53.13498 3.56569 2.38839 -53.32955 1022.88645
140.0000 -55.77643 -52.20903 3.56740 2.45899 -52.72591 1061.16743
145.0000 -55.31426 -52.20716 3.10710 2.51558 -52.24210 1144.29563
150.0000 -55.96109 -52.51135 3.44973 2.61135 -51.42328 1171.66947
155.0000 -56.26180 -53.47857 2.78323 2.41910 -53.06698 1002.64148
160.0000 -55.40957 -51.44066 3.96891 2.51117 -52.27983 1174.17650
165.0000 -54.92431 -51.89289 3.03142 2.57617 -51.72403 1173.31412
170.0000 -56.83076 -52.40653 4.42422 2.57282 -51.75272 1203.00650
175.0000 -56.96859 -53.00470 3.96389 2.37942 -53.40621 1003.18913
180.0000 -56.45714 -53.73452 2.72262 2.35926 -53.57860 981.85353
185.0000 -56.13363 -53.51234 2.62129 2.40371 -53.19858 1041.93347
190.0000 -56.69295 -52.69617 3.99678 2.51715 -52.22865 1201.28495
195.0000 -56.46508 -52.64898 3.81610 2.48919 -52.46771 1110.42295
200.0000 -57.14388 -53.63764 3.50624 2.45192 -52.78640 1045.90292
205.0000 -57.02716 -53.91339 3.11378 2.32340 -53.88521 930.59493
210.0000 -56.68050 -53.74136 2.93914 2.30074 -54.07897 884.03679
215.0000 -55.22414 -51.68615 3.53799 2.50781 -52.30853 1176.52379
220.0000 -54.85945 -50.92150 3.93794 2.67140 -50.90984 1391.58207
225.0000 -54.61018 -49.35719 5.25299 2.73868 -50.33465 1310.93303
230.0000 -54.83796 -51.01189 3.82606 2.82192 -49.62293 1421.20729
235.0000 -56.41733 -52.14917 4.26816 2.59119 -51.59567 1167.39372
240.0000 -56.88343 -53.76633 3.11710 2.49030 -52.45825 1152.97570
245.0000 -55.46025 -52.58228 2.87797 2.44123 -52.87780 1061.69601
250.0000 -55.84496 -52.52876 3.31620 2.45050 -52.79853 1058.32483
FREEZING PROCESS: loop number 2 T-loop= 1080.0000000000000
main_MD> interactions number 2 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29554 -3.16358 5.63076
force_rgl> df(natom) -2.24430 1.42712 -1.01579
255.0000 -57.00354 -53.02009 3.98346 2.47205 -52.61424 1125.62091
260.0000 -56.82319 -52.11675 4.70645 2.47194 -52.61521 1158.19004
265.0000 -55.71075 -52.25694 3.45380 2.53778 -52.05232 1167.73723
270.0000 -55.41358 -51.37736 4.03622 2.55950 -51.86661 1177.35652
275.0000 -56.35032 -52.86562 3.48470 2.49664 -52.40404 1118.59457
280.0000 -55.51419 -52.24696 3.26723 2.52459 -52.16507 1121.95746
285.0000 -54.29289 -50.51838 3.77451 2.59357 -51.57526 1191.22775
290.0000 -54.42314 -49.44613 4.97702 2.73363 -50.37777 1299.29628
295.0000 -55.96323 -51.27240 4.69082 2.72850 -50.42168 1343.23935
300.0000 -56.27481 -51.62286 4.65194 2.64639 -51.12370 1335.41481
305.0000 -56.87617 -53.51647 3.35971 2.45907 -52.72528 1094.28054
310.0000 -55.03079 -51.33814 3.69265 2.45614 -52.75033 1056.34188
315.0000 -55.75057 -52.89209 2.85848 2.55359 -51.91711 1233.55326
320.0000 -57.41696 -53.53419 3.88277 2.38389 -53.36801 1036.87793
325.0000 -55.80210 -52.95040 2.85169 2.50391 -52.34189 1113.91478
330.0000 -56.26009 -52.25703 4.00306 2.54701 -51.97335 1212.45026
335.0000 -55.63670 -52.87318 2.76352 2.57006 -51.77627 1180.68502
340.0000 -56.35597 -53.56867 2.78730 2.39329 -53.28765 989.12108
345.0000 -57.24833 -53.63501 3.61332 2.33544 -53.78228 984.10143
350.0000 -56.54727 -52.32010 4.22717 2.39904 -53.23851 1033.06833
355.0000 -55.94758 -52.16452 3.78306 2.53029 -52.11631 1089.97735
360.0000 -55.50740 -52.17181 3.33558 2.41121 -53.13443 1019.16066
365.0000 -57.75023 -54.14836 3.60187 2.41691 -53.08571 1063.20682
370.0000 -56.44581 -53.26101 3.18480 2.32796 -53.84625 1025.50862
375.0000 -56.71301 -54.03216 2.68085 2.39260 -53.29358 1025.16239
380.0000 -56.83780 -53.81117 3.02663 2.33044 -53.82504 978.68594
385.0000 -55.69518 -52.91432 2.78086 2.40603 -53.17876 990.16758
390.0000 -56.62099 -53.51546 3.10552 2.36748 -53.50835 1005.43568
395.0000 -57.03842 -53.80764 3.23078 2.32918 -53.83581 944.28027
400.0000 -55.77039 -52.83183 2.93856 2.43395 -52.94000 1117.67374
405.0000 -55.79592 -52.58628 3.20964 2.48543 -52.49991 1076.72109
410.0000 -54.85846 -52.82607 2.03239 2.50589 -52.32494 1145.09239
415.0000 -55.69614 -51.13668 4.55947 2.52853 -52.13133 1146.43612
420.0000 -56.78457 -53.70389 3.08068 2.45979 -52.71912 1100.03073
425.0000 -56.16149 -53.36417 2.79732 2.28394 -54.22257 918.36264
430.0000 -55.95709 -53.37688 2.58022 2.46798 -52.64908 1057.57771
435.0000 -56.48629 -52.82418 3.66211 2.46076 -52.71081 1053.20956
440.0000 -54.85378 -50.95156 3.90222 2.51674 -52.23216 1159.08734
445.0000 -56.53044 -53.27888 3.25155 2.55076 -51.94130 1165.25155
450.0000 -57.57247 -53.69047 3.88201 2.27035 -54.33876 907.99631
455.0000 -56.02738 -52.96826 3.05912 2.39156 -53.30242 1061.69517
460.0000 -56.10646 -52.36900 3.73746 2.48956 -52.46458 1076.96273
465.0000 -55.89388 -51.45111 4.44277 2.52070 -52.19828 1095.85359
470.0000 -56.37976 -52.82964 3.55013 2.49626 -52.40727 1066.37724
475.0000 -56.68291 -51.37378 5.30914 2.50628 -52.32162 1140.68706
480.0000 -55.83472 -52.42962 3.40511 2.62900 -51.27240 1293.05765
485.0000 -56.29829 -52.34316 3.95512 2.55964 -51.86536 1212.94359
490.0000 -55.77049 -53.00366 2.76683 2.48165 -52.53223 1102.63261
495.0000 -55.77414 -52.33309 3.44104 2.44787 -52.82104 1039.50979
500.0000 -56.90019 -53.05381 3.84638 2.39451 -53.27719 1031.81723
FREEZING PROCESS: loop number 3 T-loop= 1055.0000000000000
main_MD> interactions number 3 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65194 -0.25049 -1.54430
force_rgl> df(natom) 1.63187 2.16550 1.30623
505.0000 -56.87670 -52.80695 4.06976 2.50193 -52.35882 1124.30101
510.0000 -57.08661 -53.56389 3.52273 2.35303 -53.63186 992.07336
515.0000 -56.87698 -54.07980 2.79718 2.35765 -53.59237 975.44759
520.0000 -58.28948 -54.85621 3.43327 2.31153 -53.98666 918.93005
525.0000 -56.87823 -53.07422 3.80402 2.33582 -53.77906 936.73856
530.0000 -57.16108 -54.30170 2.85938 2.37970 -53.40389 1058.11187
535.0000 -57.25407 -54.69364 2.56043 2.28019 -54.25463 939.50715
540.0000 -57.48768 -54.71353 2.77415 2.24798 -54.53002 898.34744
545.0000 -57.78630 -54.93555 2.85074 2.20926 -54.86110 838.76937
550.0000 -57.12073 -54.12863 2.99210 2.29504 -54.12767 939.80155
555.0000 -55.18342 -51.97837 3.20505 2.41384 -53.11197 1048.51912
560.0000 -55.53424 -52.10761 3.42664 2.50758 -52.31048 1120.33696
565.0000 -55.29183 -52.12350 3.16833 2.46694 -52.65800 1142.90214
570.0000 -55.89213 -52.60621 3.28592 2.49197 -52.44393 1134.60624
575.0000 -56.87135 -52.24150 4.62985 2.57569 -51.72816 1157.46661
580.0000 -56.67547 -53.69717 2.97830 2.37709 -53.42619 1003.29906
585.0000 -56.56157 -53.13367 3.42790 2.31640 -53.94505 962.03307
590.0000 -56.53385 -53.46346 3.07039 2.38411 -53.36615 1003.89012
595.0000 -57.04352 -53.93692 3.10660 2.37520 -53.44231 1035.97765
600.0000 -57.28665 -53.40545 3.88120 2.35989 -53.57323 1041.71309
605.0000 -56.21989 -52.52579 3.69410 2.43591 -52.92324 1079.93112
610.0000 -55.95952 -52.99400 2.96552 2.47005 -52.63138 1121.82654
615.0000 -56.60359 -52.61998 3.98361 2.49854 -52.38782 1069.75556
620.0000 -56.69167 -53.15747 3.53421 2.42330 -53.03108 1052.69763
625.0000 -56.58842 -52.82747 3.76095 2.50486 -52.33379 1129.58682
630.0000 -55.64998 -52.00070 3.64928 2.50030 -52.37271 1119.68420
635.0000 -55.79849 -52.63679 3.16170 2.53344 -52.08939 1076.26292
640.0000 -55.20928 -52.18268 3.02660 2.47388 -52.59861 1063.84287
645.0000 -56.10413 -52.52968 3.57445 2.50228 -52.35584 1098.49846
650.0000 -55.82448 -52.15772 3.66676 2.45749 -52.73873 1108.98822
655.0000 -55.05009 -50.95990 4.09019 2.50101 -52.36668 1106.26561
660.0000 -55.74893 -52.19158 3.55736 2.59258 -51.58375 1209.03791
665.0000 -56.07842 -53.03887 3.03955 2.50215 -52.35688 1071.91405
670.0000 -57.24170 -54.95193 2.28977 2.31265 -53.97712 928.11358
675.0000 -57.11696 -53.39856 3.71840 2.30013 -54.08418 890.29344
680.0000 -57.27168 -54.54312 2.72857 2.43991 -52.88907 1110.99633
685.0000 -56.38217 -53.70041 2.68175 2.39215 -53.29742 996.27551
690.0000 -56.28913 -52.16326 4.12587 2.37060 -53.48162 978.60385
695.0000 -56.44544 -53.36565 3.07978 2.43363 -52.94277 1076.96009
700.0000 -56.41857 -53.21830 3.20027 2.41748 -53.08084 1066.65573
705.0000 -57.37694 -52.71636 4.66058 2.47289 -52.60712 1136.89159
710.0000 -57.02224 -53.51081 3.51143 2.44604 -52.83664 1113.50276
715.0000 -57.26547 -52.98047 4.28501 2.36502 -53.52940 1009.73429
720.0000 -56.54965 -52.53004 4.01961 2.47073 -52.62557 1108.84843
725.0000 -56.94811 -53.31496 3.63315 2.39350 -53.28586 1051.27220
730.0000 -57.06626 -54.14558 2.92067 2.31419 -53.96397 960.06980
735.0000 -56.65805 -54.14543 2.51262 2.32416 -53.87873 988.98435
740.0000 -57.15627 -54.54417 2.61210 2.24238 -54.57795 870.65174
745.0000 -56.56402 -54.21908 2.34494 2.34920 -53.66463 1030.12501
750.0000 -56.98502 -54.04074 2.94428 2.29677 -54.11286 941.76640
FREEZING PROCESS: loop number 4 T-loop= 1030.0000000000000
main_MD> interactions number 4 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.30364 -1.70475 0.28700
force_rgl> df(natom) 1.22390 -0.95174 -4.85923
755.0000 -57.51406 -53.73737 3.77669 2.32976 -53.83081 948.99844
760.0000 -57.02544 -53.79535 3.23009 2.29089 -54.16315 931.15707
765.0000 -56.77763 -53.27224 3.50539 2.32280 -53.89034 947.79713
770.0000 -55.89440 -52.25065 3.64375 2.45785 -52.73566 1042.43154
775.0000 -55.90047 -52.04282 3.85765 2.54275 -52.00982 1114.41710
780.0000 -55.27609 -51.67331 3.60278 2.50570 -52.32656 1137.46781
785.0000 -56.69666 -53.19352 3.50315 2.51150 -52.27701 1165.63928
790.0000 -56.79215 -52.81082 3.98133 2.35192 -53.64137 974.82469
795.0000 -56.25316 -53.26279 2.99037 2.40711 -53.16948 1035.01743
800.0000 -56.59232 -52.88338 3.70894 2.39241 -53.29521 993.59555
805.0000 -55.70144 -52.02132 3.68013 2.49149 -52.44807 1082.47772
810.0000 -56.34827 -53.58984 2.75843 2.46848 -52.64476 1071.59653
815.0000 -57.41171 -53.85352 3.55819 2.37107 -53.47763 995.54435
820.0000 -57.08940 -54.14176 2.94763 2.22841 -54.69735 858.30363
825.0000 -56.44061 -53.49878 2.94183 2.30032 -54.08251 955.00785
830.0000 -56.77297 -53.87884 2.89413 2.33716 -53.76760 968.62906
835.0000 -57.05514 -54.15968 2.89547 2.28255 -54.23447 926.07042
840.0000 -56.36726 -54.04711 2.32015 2.23614 -54.63129 863.72706
845.0000 -57.25152 -53.95243 3.29910 2.30777 -54.01883 911.41459
850.0000 -57.29411 -54.59528 2.69883 2.30854 -54.01223 885.04535
855.0000 -55.97728 -53.41813 2.55915 2.34369 -53.71177 1010.59497
860.0000 -56.38083 -53.92254 2.45829 2.34488 -53.70154 1027.44576
865.0000 -56.46977 -52.39201 4.07776 2.40390 -53.19694 1031.88377
870.0000 -57.07542 -54.13977 2.93566 2.36938 -53.49208 998.94360
875.0000 -56.85795 -52.80489 4.05306 2.38715 -53.34013 1014.16439
880.0000 -56.64783 -52.89177 3.75606 2.48154 -52.53313 1168.72849
885.0000 -56.54626 -53.14058 3.40568 2.45361 -52.77189 1143.06398
890.0000 -56.64302 -52.32591 4.31711 2.46513 -52.67340 1129.05500
895.0000 -55.61333 -52.57219 3.04114 2.44198 -52.87133 1091.83490
900.0000 -56.50698 -53.04199 3.46499 2.44627 -52.83465 1073.89658
905.0000 -56.93636 -53.96684 2.96952 2.39175 -53.30086 1014.79537
910.0000 -55.72288 -53.15235 2.57053 2.33969 -53.74596 887.73967
915.0000 -56.66441 -53.97103 2.69337 2.39984 -53.23169 988.04683
920.0000 -55.93842 -52.36012 3.57830 2.43748 -52.90986 1055.52090
925.0000 -57.20174 -53.91994 3.28180 2.34634 -53.68910 942.79618
930.0000 -57.14480 -53.81198 3.33282 2.30683 -54.02691 943.62413
935.0000 -55.95999 -52.41880 3.54119 2.37218 -53.46813 993.43615
940.0000 -56.32362 -54.02177 2.30185 2.43688 -52.91497 1014.91938
945.0000 -56.97613 -52.80777 4.16835 2.38050 -53.39702 928.09578
950.0000 -56.62074 -53.28292 3.33782 2.38886 -53.32554 1029.79364
955.0000 -55.87636 -52.96957 2.90680 2.39249 -53.29447 1044.76079
960.0000 -55.82742 -52.57543 3.25199 2.42076 -53.05276 1018.11584
965.0000 -57.82449 -54.05279 3.77170 2.38602 -53.34980 972.21763
970.0000 -57.59738 -54.00027 3.59711 2.33131 -53.81756 991.37923
975.0000 -56.77942 -53.44853 3.33089 2.37519 -53.44239 978.46087
980.0000 -58.14373 -54.85250 3.29123 2.26023 -54.42533 909.62725
985.0000 -56.76959 -53.42400 3.34559 2.33203 -53.81143 987.06273
990.0000 -56.21315 -51.88553 4.32762 2.42441 -53.02156 1029.71847
995.0000 -56.98929 -53.52595 3.46334 2.48711 -52.48553 1107.86085
1000.0000 -56.25112 -52.64255 3.60857 2.48616 -52.49366 1157.93369
FREEZING PROCESS: loop number 5 T-loop= 1005.0000000000000
main_MD> interactions number 5 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.05087 2.46250 -0.83895
force_rgl> df(natom) -0.62244 -1.84030 -4.23267
1005.0000 -57.44346 -53.41979 4.02367 2.44794 -52.82039 1096.87334
1010.0000 -56.42091 -53.32369 3.09723 2.36490 -53.53040 1012.50369
1015.0000 -57.15378 -53.25998 3.89380 2.45512 -52.75904 1079.87752
1020.0000 -56.11235 -52.43175 3.68060 2.46712 -52.65641 1100.43573
1025.0000 -56.28267 -53.10634 3.17633 2.44016 -52.88692 1105.41987
1030.0000 -57.30675 -52.62819 4.67855 2.41616 -53.09216 986.89065
1035.0000 -55.29407 -52.34872 2.94535 2.47507 -52.58848 1130.65122
1040.0000 -55.73591 -53.28499 2.45092 2.46188 -52.70124 1106.99589
1045.0000 -57.14191 -54.31840 2.82351 2.35514 -53.61388 922.33646
1050.0000 -56.69211 -53.35330 3.33880 2.31184 -53.98407 968.07447
1055.0000 -55.72655 -52.53385 3.19269 2.45856 -52.72960 1089.49223
1060.0000 -55.19091 -51.99419 3.19672 2.52160 -52.19058 1129.87241
1065.0000 -55.95545 -52.06379 3.89166 2.54735 -51.97043 1159.01982
1070.0000 -56.40257 -52.97431 3.42825 2.37838 -53.41515 1011.21743
1075.0000 -55.54586 -52.27914 3.26672 2.45727 -52.74063 1091.66992
1080.0000 -56.58444 -54.19566 2.38878 2.40054 -53.22567 1029.30383
1085.0000 -56.57807 -54.14736 2.43071 2.28534 -54.21062 890.26994
1090.0000 -56.58532 -53.45773 3.12759 2.39436 -53.27855 1008.96667
1095.0000 -57.53329 -53.59191 3.94138 2.30600 -54.03396 948.63815
1100.0000 -56.35056 -53.21099 3.13957 2.37821 -53.41659 982.60142
1105.0000 -56.08242 -53.35264 2.72978 2.36343 -53.54297 968.52987
1110.0000 -57.01943 -53.73498 3.28445 2.42733 -52.99658 1003.13905
1115.0000 -56.52387 -53.31468 3.20920 2.37551 -53.43968 1018.43078
1120.0000 -56.60005 -53.01693 3.58312 2.41414 -53.10940 1020.55145
1125.0000 -56.60133 -52.92862 3.67271 2.40538 -53.18427 1096.03763
1130.0000 -56.82423 -53.66310 3.16113 2.37970 -53.40385 1049.76715
1135.0000 -55.81302 -52.00211 3.81091 2.36455 -53.53341 992.77957
1140.0000 -56.10674 -52.62767 3.47906 2.54042 -52.02970 1179.97856
1145.0000 -55.20150 -52.79779 2.40371 2.41702 -53.08477 1007.79636
1150.0000 -56.70779 -53.02332 3.68447 2.40983 -53.14625 1012.53218
1155.0000 -56.21183 -53.37069 2.84115 2.30423 -54.04913 919.96202
1160.0000 -56.32909 -51.93335 4.39574 2.40677 -53.17240 1036.47926
1165.0000 -56.61176 -53.09175 3.52001 2.50320 -52.34798 1124.12119
1170.0000 -56.03834 -52.94826 3.09008 2.44178 -52.87307 1057.36920
1175.0000 -56.48147 -52.88495 3.59653 2.41201 -53.12761 1024.61939
1180.0000 -56.79708 -52.75960 4.03748 2.47018 -52.63024 1173.71403
1185.0000 -56.99306 -53.95012 3.04295 2.40825 -53.15979 1080.01518
1190.0000 -57.48912 -54.69508 2.79404 2.33722 -53.76702 992.26678
1195.0000 -56.49968 -53.47795 3.02173 2.30512 -54.04146 946.18112
1200.0000 -55.84425 -53.59586 2.24839 2.37325 -53.45898 998.85007
1205.0000 -55.91258 -53.52126 2.39132 2.43217 -52.95526 1018.55597
1210.0000 -55.88726 -52.33371 3.55355 2.40278 -53.20648 1053.41924
1215.0000 -55.71906 -52.82710 2.89196 2.47166 -52.61758 1091.26616
1220.0000 -55.75697 -52.05967 3.69730 2.44246 -52.86723 1017.01867
1225.0000 -56.47559 -52.97632 3.49926 2.48039 -52.54295 1102.82914
1230.0000 -57.27523 -53.99979 3.27544 2.39883 -53.24028 1050.12926
1235.0000 -56.55955 -53.58659 2.97296 2.27981 -54.25793 875.73768
1240.0000 -56.65368 -53.62316 3.03052 2.37718 -53.42540 1028.26028
1245.0000 -56.03919 -53.49081 2.54838 2.38638 -53.34676 1024.30279
1250.0000 -56.96907 -53.42145 3.54762 2.39597 -53.26471 1034.22035
FREEZING PROCESS: loop number 6 T-loop= 980.00000000000000
main_MD> interactions number 6 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32314 -1.59174 0.91244
force_rgl> df(natom) -1.37695 -0.62984 -2.41036
1255.0000 -56.05894 -52.73462 3.32431 2.39212 -53.29769 1039.98213
1260.0000 -55.47509 -52.27519 3.19990 2.44125 -52.87759 1065.55743
1265.0000 -55.39226 -51.27292 4.11934 2.64064 -51.17283 1271.24100
1270.0000 -56.11490 -53.21378 2.90112 2.46353 -52.68711 1126.34168
1275.0000 -56.09662 -52.56826 3.52835 2.45345 -52.77332 1101.01189
1280.0000 -56.10359 -53.04062 3.06297 2.49426 -52.42437 1102.25004
1285.0000 -56.39021 -52.30250 4.08771 2.45149 -52.79008 1028.09889
1290.0000 -56.55713 -53.86679 2.69033 2.40539 -53.18418 971.19363
1295.0000 -57.99687 -54.74933 3.24754 2.27917 -54.26340 866.94398
1300.0000 -57.77657 -55.42716 2.34941 2.29111 -54.16129 972.32669
1305.0000 -56.92375 -53.69560 3.22815 2.21989 -54.77018 880.19475
1310.0000 -56.45640 -54.35430 2.10210 2.30522 -54.04063 903.78614
1315.0000 -58.21178 -54.49501 3.71677 2.30707 -54.02484 969.62434
1320.0000 -57.67828 -54.80406 2.87422 2.24744 -54.53463 894.51239
1325.0000 -58.41701 -54.39315 4.02386 2.19615 -54.97320 872.38039
1330.0000 -57.56427 -55.15631 2.40796 2.18449 -55.07285 868.35642
1335.0000 -57.80142 -54.38914 3.41228 2.16524 -55.23744 830.46901
1340.0000 -57.09304 -54.75836 2.33469 2.21907 -54.77720 852.15197
1345.0000 -56.06241 -52.95236 3.11006 2.36899 -53.49544 1026.02217
1350.0000 -55.63167 -52.32725 3.30442 2.47998 -52.54648 1122.51106
1355.0000 -56.14122 -52.69338 3.44784 2.61831 -51.36378 1210.48795
1360.0000 -56.61358 -53.02366 3.58992 2.47682 -52.57351 1039.40406
1365.0000 -55.62196 -53.17197 2.44999 2.41386 -53.11182 997.69685
1370.0000 -55.31160 -52.13977 3.17183 2.58047 -51.68732 1226.78007
1375.0000 -56.08259 -52.42801 3.65458 2.46419 -52.68147 1061.67822
1380.0000 -56.32584 -53.23194 3.09390 2.49948 -52.37978 1056.70343
1385.0000 -56.39504 -54.03372 2.36132 2.40036 -53.22725 1031.49620
1390.0000 -56.82945 -53.58923 3.24022 2.37382 -53.45415 1033.68912
1395.0000 -57.08995 -53.63866 3.45128 2.38521 -53.35675 1008.03330
1400.0000 -57.47477 -54.43886 3.03592 2.29335 -54.14215 991.12614
1405.0000 -57.04300 -54.02231 3.02069 2.33737 -53.76575 1008.98334
1410.0000 -57.26468 -53.74205 3.52263 2.30079 -54.07849 929.64675
1415.0000 -57.96829 -55.25146 2.71683 2.21913 -54.77671 937.40901
1420.0000 -56.35954 -52.95549 3.40405 2.25672 -54.45530 894.45326
1425.0000 -56.53685 -52.04906 4.48779 2.50382 -52.34260 1181.89996
1430.0000 -57.81923 -54.05585 3.76338 2.42310 -53.03274 1094.01989
1435.0000 -58.46031 -55.79927 2.66103 2.15667 -55.31069 836.88585
1440.0000 -57.56965 -55.57047 1.99918 2.14117 -55.44324 801.05823
1445.0000 -57.74870 -54.68181 3.06689 2.19952 -54.94434 837.76908
1450.0000 -57.28239 -54.86225 2.42014 2.28011 -54.25536 981.81741
1455.0000 -56.63748 -53.14557 3.49191 2.34177 -53.72815 956.82851
1460.0000 -57.07285 -53.71661 3.35624 2.39097 -53.30747 965.59279
1465.0000 -57.23687 -54.67294 2.56393 2.31273 -53.97646 952.77431
1470.0000 -56.87621 -53.29613 3.58008 2.33195 -53.81211 926.84617
1475.0000 -57.06492 -54.00437 3.06055 2.36609 -53.52021 961.66966
1480.0000 -57.05892 -53.86272 3.19620 2.31404 -53.96520 951.49735
1485.0000 -56.72219 -52.81323 3.90897 2.40435 -53.19312 1058.63946
1490.0000 -57.15312 -52.73831 4.41481 2.42819 -52.98929 942.91717
1495.0000 -56.03344 -52.20769 3.82575 2.49614 -52.40833 1096.79071
1500.0000 -56.76991 -53.07375 3.69615 2.49775 -52.39458 1132.82549
FREEZING PROCESS: loop number 7 T-loop= 955.00000000000000
main_MD> interactions number 7 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05683 -2.93294 0.15573
force_rgl> df(natom) -0.79004 -3.23661 0.06438
1505.0000 -56.79886 -53.70301 3.09585 2.39443 -53.27793 1019.30342
1510.0000 -55.82222 -53.49902 2.32320 2.31299 -53.97419 968.19454
1515.0000 -57.39044 -53.35348 4.03696 2.34643 -53.68830 955.25745
1520.0000 -56.04163 -53.19794 2.84370 2.40603 -53.17876 983.08306
1525.0000 -56.01802 -53.61594 2.40207 2.37418 -53.45104 1020.85238
1530.0000 -56.26155 -53.21801 3.04354 2.39333 -53.28730 981.20450
1535.0000 -57.06321 -53.80061 3.26260 2.39874 -53.24108 992.52354
1540.0000 -56.83585 -52.42079 4.41507 2.36594 -53.52148 973.28912
1545.0000 -56.68366 -54.27420 2.40946 2.35259 -53.63562 909.21946
1550.0000 -56.53611 -54.18216 2.35396 2.26722 -54.36553 895.75843
1555.0000 -57.46690 -54.16311 3.30379 2.28227 -54.23687 914.27717
1560.0000 -57.41887 -54.32383 3.09504 2.28996 -54.17109 927.60818
1565.0000 -57.50587 -53.64704 3.85882 2.27463 -54.30216 897.47029
1570.0000 -55.81231 -53.59282 2.21949 2.36080 -53.56541 1010.99483
1575.0000 -56.70563 -52.92275 3.78288 2.35107 -53.64865 994.82735
1580.0000 -57.06059 -54.49124 2.56936 2.39310 -53.28931 1030.14272
1585.0000 -55.89654 -53.41336 2.48318 2.30856 -54.01206 922.24650
1590.0000 -57.81429 -54.71110 3.10319 2.36909 -53.49455 1016.68982
1595.0000 -57.94868 -54.62126 3.32741 2.24633 -54.54417 875.09671
1600.0000 -57.75367 -54.07205 3.68162 2.32508 -53.87086 979.67674
1605.0000 -56.59814 -53.56741 3.03073 2.37187 -53.47084 922.39611
1610.0000 -57.09507 -54.10208 2.99300 2.30685 -54.02674 946.96345
1615.0000 -57.53460 -54.41749 3.11712 2.24235 -54.57818 889.09293
1620.0000 -57.25763 -54.33665 2.92098 2.22386 -54.73624 855.75596
1625.0000 -56.38110 -53.66414 2.71696 2.31461 -53.96032 938.06423
1630.0000 -56.48314 -53.46080 3.02234 2.39396 -53.28196 1029.88535
1635.0000 -56.68826 -54.31114 2.37712 2.31939 -53.91950 926.56700
1640.0000 -57.31005 -54.63676 2.67329 2.26160 -54.41356 891.91407
1645.0000 -57.96534 -53.91915 4.04619 2.31958 -53.91788 1008.90056
1650.0000 -56.55652 -54.37750 2.17903 2.25711 -54.45194 898.32486
1655.0000 -58.06034 -54.90817 3.15218 2.27166 -54.32761 942.40402
1660.0000 -57.63868 -54.99684 2.64184 2.18892 -55.03500 849.73587
1665.0000 -56.71287 -52.72556 3.98731 2.35027 -53.65546 1026.26200
1670.0000 -57.40722 -54.17432 3.23289 2.36052 -53.56781 1033.76371
1675.0000 -56.23687 -52.73219 3.50468 2.39640 -53.26103 1001.37075
1680.0000 -56.92598 -53.64589 3.28009 2.36202 -53.55500 1004.14166
1685.0000 -57.14561 -53.83925 3.30636 2.29995 -54.08574 932.42996
1690.0000 -56.75959 -53.59923 3.16036 2.32638 -53.85972 997.67859
1695.0000 -56.85862 -54.16153 2.69708 2.35526 -53.61282 1009.27402
1700.0000 -57.20674 -53.44354 3.76320 2.35749 -53.59379 1006.73278
1705.0000 -57.08075 -53.99922 3.08153 2.41966 -53.06217 1099.81574
1710.0000 -57.42855 -53.51309 3.91546 2.32118 -53.90418 965.69143
1715.0000 -55.77924 -53.34433 2.43492 2.42487 -53.01765 1027.87362
1720.0000 -56.92264 -53.87509 3.04756 2.32210 -53.89635 971.94954
1725.0000 -56.53456 -52.96720 3.56736 2.31505 -53.95656 952.75876
1730.0000 -56.77367 -53.75792 3.01575 2.34625 -53.68987 1015.53904
1735.0000 -56.75677 -53.57720 3.17956 2.38052 -53.39687 1043.38369
1740.0000 -57.55549 -54.29352 3.26197 2.31533 -53.95419 955.54012
1745.0000 -57.19950 -54.12953 3.06998 2.31706 -53.93939 949.03893
1750.0000 -57.54146 -54.41786 3.12360 2.25212 -54.49465 857.35315
FREEZING PROCESS: loop number 8 T-loop= 930.00000000000000
main_MD> interactions number 8 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46224 3.45097 2.22654
force_rgl> df(natom) -1.46802 0.65151 -1.64099
1755.0000 -57.46459 -53.86803 3.59656 2.35467 -53.61783 986.70755
1760.0000 -56.51529 -53.94928 2.56601 2.28369 -54.22477 931.99736
1765.0000 -57.08615 -54.22127 2.86488 2.23025 -54.68161 900.79090
1770.0000 -57.34494 -54.97966 2.36529 2.21083 -54.84768 848.83368
1775.0000 -57.02510 -54.68458 2.34053 2.16028 -55.27985 765.59421
1780.0000 -57.71920 -54.37745 3.34176 2.29193 -54.15429 948.89551
1785.0000 -56.76500 -53.18336 3.58164 2.32428 -53.87772 943.49319
1790.0000 -57.60371 -54.26390 3.33981 2.33140 -53.81682 999.86684
1795.0000 -58.21613 -55.85780 2.35833 2.21209 -54.83687 854.04455
1800.0000 -57.40234 -55.37062 2.03172 2.20388 -54.90708 779.10434
1805.0000 -57.10145 -53.93058 3.17087 2.20825 -54.86971 856.27467
1810.0000 -57.63892 -54.94004 2.69887 2.28015 -54.25503 889.92980
1815.0000 -57.70995 -54.80956 2.90039 2.18246 -55.09024 849.50929
1820.0000 -57.57866 -54.38227 3.19639 2.20971 -54.85723 833.64938
1825.0000 -57.56236 -54.53588 3.02648 2.23082 -54.67678 900.34439
1830.0000 -57.47792 -54.42971 3.04821 2.25633 -54.45867 924.68133
1835.0000 -56.81932 -54.44686 2.37246 2.26134 -54.41580 912.31629
1840.0000 -57.69051 -54.67710 3.01341 2.19727 -54.96360 872.22931
1845.0000 -57.10186 -54.34159 2.76027 2.24535 -54.55257 917.62969
1850.0000 -57.63713 -54.82417 2.81296 2.29009 -54.16999 1003.61941
1855.0000 -57.38373 -54.79853 2.58521 2.23303 -54.65784 875.43065
1860.0000 -56.80239 -54.63121 2.17117 2.22395 -54.73550 904.84525
1865.0000 -56.43948 -53.18772 3.25175 2.31394 -53.96607 970.01118
1870.0000 -57.61644 -54.63030 2.98614 2.35395 -53.62399 979.81973
1875.0000 -57.16036 -54.76606 2.39429 2.27427 -54.30526 868.44428
1880.0000 -56.99045 -54.07186 2.91858 2.24567 -54.54976 919.38382
1885.0000 -56.41557 -53.50473 2.91084 2.30237 -54.06504 940.39607
1890.0000 -57.35936 -53.27427 4.08509 2.37528 -53.44161 998.44155
1895.0000 -56.43451 -53.41037 3.02414 2.33284 -53.80447 952.95597
1900.0000 -55.57860 -52.68396 2.89464 2.41122 -53.13437 1029.99574
1905.0000 -57.09311 -52.87163 4.22148 2.39198 -53.29884 1041.80646
1910.0000 -56.78801 -53.17661 3.61139 2.39432 -53.27881 948.35190
1915.0000 -56.28462 -52.02844 4.25618 2.49810 -52.39155 1086.73248
1920.0000 -55.14455 -51.53190 3.61264 2.57631 -51.72290 1238.11826
1925.0000 -56.05562 -53.43716 2.61846 2.38614 -53.34881 1006.56217
1930.0000 -57.56841 -54.05074 3.51766 2.37383 -53.45406 959.75677
1935.0000 -56.72732 -53.07792 3.64940 2.35921 -53.57905 968.81523
1940.0000 -56.44047 -52.87879 3.56168 2.49770 -52.39494 1099.55009
1945.0000 -56.71955 -54.01030 2.70925 2.42030 -53.05671 1062.45145
1950.0000 -57.60392 -54.66495 2.93897 2.33450 -53.79032 929.06426
1955.0000 -56.65310 -53.78822 2.86488 2.31723 -53.93795 950.59028
1960.0000 -56.15588 -53.42319 2.73268 2.34640 -53.68856 986.04241
1965.0000 -56.71042 -53.66483 3.04560 2.33038 -53.82549 965.29388
1970.0000 -56.90557 -54.63145 2.27411 2.26077 -54.42065 915.29813
1975.0000 -56.76222 -53.55287 3.20935 2.27816 -54.27198 872.27083
1980.0000 -57.27444 -53.77813 3.49631 2.35880 -53.58255 995.97417
1985.0000 -57.15017 -53.53309 3.61709 2.37844 -53.41460 1005.13269
1990.0000 -56.33796 -53.36253 2.97543 2.33702 -53.76879 937.30738
1995.0000 -56.82016 -52.96148 3.85868 2.41635 -53.09051 1073.02292
2000.0000 -57.38081 -54.60366 2.77714 2.31445 -53.96171 982.29357
FREEZING PROCESS: loop number 9 T-loop= 905.00000000000000
main_MD> interactions number 9 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16446 -0.55218 -1.39020
force_rgl> df(natom) 1.57554 -7.10105 0.48686
2005.0000 -56.91867 -54.23252 2.68615 2.22192 -54.75287 888.16645
2010.0000 -57.70711 -54.68013 3.02698 2.31161 -53.98602 918.47084
2015.0000 -57.11642 -54.01137 3.10505 2.26471 -54.38696 879.46446
2020.0000 -57.74790 -53.83250 3.91540 2.23628 -54.63010 869.08392
2025.0000 -56.98081 -54.21164 2.76918 2.34213 -53.72509 1025.09615
2030.0000 -57.42302 -54.38080 3.04222 2.28180 -54.24086 894.28973
2035.0000 -57.45443 -53.92865 3.52578 2.33812 -53.75936 946.17706
2040.0000 -57.43516 -54.80868 2.62648 2.25503 -54.46973 936.44132
2045.0000 -56.68164 -53.86135 2.82029 2.32455 -53.87537 950.13045
2050.0000 -56.03399 -52.51361 3.52038 2.47979 -52.54813 1043.07301
2055.0000 -56.89986 -51.89940 5.00046 2.52494 -52.16210 1171.80331
2060.0000 -56.28840 -53.67355 2.61485 2.40601 -53.17894 1002.62958
2065.0000 -56.97763 -54.16576 2.81187 2.27194 -54.32516 858.20686
2070.0000 -56.89928 -53.98551 2.91377 2.27604 -54.29009 893.55279
2075.0000 -56.35824 -53.86229 2.49594 2.36204 -53.55481 929.89882
2080.0000 -56.24674 -52.80712 3.43961 2.42014 -53.05807 1045.46571
2085.0000 -56.44250 -53.57453 2.86797 2.34749 -53.67928 966.91962
2090.0000 -56.92312 -53.69878 3.22435 2.33476 -53.78811 971.60213
2095.0000 -57.32227 -54.63873 2.68355 2.28687 -54.19754 927.74264
2100.0000 -57.32339 -54.97540 2.34798 2.20296 -54.91494 820.24435
2105.0000 -57.10060 -54.12015 2.98045 2.20596 -54.88930 803.42502
2110.0000 -56.93576 -53.88505 3.05072 2.26288 -54.40262 915.87282
2115.0000 -56.72514 -53.91301 2.81213 2.33663 -53.77208 956.49574
2120.0000 -56.44448 -53.87206 2.57243 2.31280 -53.97587 962.21534
2125.0000 -57.70643 -55.38553 2.32091 2.25197 -54.49589 912.82304
2130.0000 -56.75583 -53.86747 2.88836 2.19795 -54.95783 827.54952
2135.0000 -57.20874 -55.23877 1.96997 2.29905 -54.09340 968.31021
2140.0000 -57.38329 -54.83790 2.54540 2.20549 -54.89334 856.02177
2145.0000 -57.09359 -54.33051 2.76307 2.19129 -55.01475 848.33477
2150.0000 -57.27698 -53.93968 3.33730 2.28420 -54.22037 953.92873
2155.0000 -57.31268 -54.48652 2.82616 2.23851 -54.61104 881.25917
2160.0000 -56.88703 -54.24159 2.64543 2.25813 -54.44323 960.88976
2165.0000 -57.68320 -54.63999 3.04321 2.27150 -54.32891 945.56062
2170.0000 -57.50633 -54.00208 3.50425 2.33352 -53.79864 959.35774
2175.0000 -56.35256 -54.04273 2.30983 2.33319 -53.80148 931.63241
2180.0000 -57.88945 -54.82621 3.06324 2.19105 -55.01682 851.81561
2185.0000 -57.87287 -53.52062 4.35226 2.34164 -53.72926 1000.96785
2190.0000 -55.69253 -52.81311 2.87942 2.44209 -52.87042 1029.43108
2195.0000 -56.57888 -53.10082 3.47806 2.43070 -52.96779 1047.00437
2200.0000 -58.17686 -55.02501 3.15185 2.23367 -54.65242 854.71313
2205.0000 -57.19838 -53.88087 3.31751 2.26699 -54.36749 950.38522
2210.0000 -57.52500 -54.40147 3.12353 2.25844 -54.44064 911.13794
2215.0000 -57.55510 -54.07610 3.47899 2.23664 -54.62698 852.75215
2220.0000 -57.89474 -53.97440 3.92034 2.29156 -54.15743 949.13350
2225.0000 -56.61318 -53.78368 2.82950 2.35071 -53.65174 976.83949
2230.0000 -57.11895 -53.36852 3.75043 2.35639 -53.60319 1008.15735
2235.0000 -57.05201 -54.11698 2.93503 2.36253 -53.55067 1011.16586
2240.0000 -57.52899 -54.10491 3.42407 2.24091 -54.59048 856.36420
2245.0000 -56.99717 -53.97925 3.01792 2.29743 -54.10724 931.92656
2250.0000 -57.14053 -54.24033 2.90019 2.28719 -54.19476 931.93751
FREEZING PROCESS: loop number 10 T-loop= 880.00000000000000
main_MD> interactions number 10 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61403 1.27295 1.47502
force_rgl> df(natom) 1.69090 2.29902 2.69876
2255.0000 -57.75288 -54.90016 2.85273 2.24696 -54.53872 903.00562
2260.0000 -57.30520 -53.90089 3.40432 2.30292 -54.06034 917.52327
2265.0000 -56.25055 -52.97467 3.27588 2.35530 -53.61245 1014.14018
2270.0000 -58.02191 -55.32598 2.69593 2.25511 -54.46905 829.29774
2275.0000 -57.47051 -54.24703 3.22348 2.24558 -54.55055 904.32204
2280.0000 -56.56844 -53.48139 3.08705 2.29711 -54.10995 916.82955
2285.0000 -57.14888 -54.17626 2.97262 2.38101 -53.39268 1048.28746
2290.0000 -57.34670 -55.44611 1.90059 2.26799 -54.35896 886.32210
2295.0000 -57.96875 -55.36836 2.60039 2.18511 -55.06756 845.05659
2300.0000 -57.52452 -54.88523 2.63929 2.18666 -55.05432 823.12875
2305.0000 -57.93584 -55.57722 2.35862 2.21299 -54.82924 877.41959
2310.0000 -58.38140 -55.61492 2.76648 2.13193 -55.52228 778.09106
2315.0000 -59.12523 -56.79151 2.33372 2.06374 -56.10525 742.81360
2320.0000 -58.43221 -55.52580 2.90641 2.04985 -56.22403 726.11547
2325.0000 -57.06744 -54.23853 2.82891 2.22165 -54.75514 860.58200
2330.0000 -56.51345 -53.84427 2.66918 2.32266 -53.89155 997.34355
2335.0000 -57.37609 -53.96326 3.41283 2.33949 -53.74761 1009.98684
2340.0000 -56.76889 -54.70356 2.06533 2.29082 -54.16379 908.88728
2345.0000 -57.65370 -54.89339 2.76031 2.20001 -54.94021 826.44958
2350.0000 -57.45751 -54.92372 2.53379 2.16779 -55.21567 809.39568
2355.0000 -57.77509 -54.55411 3.22098 2.18821 -55.04105 836.91618
2360.0000 -57.12745 -55.01252 2.11493 2.25183 -54.49716 849.36194
2365.0000 -56.80656 -54.17220 2.63436 2.25946 -54.43191 934.33932
2370.0000 -57.24072 -54.72264 2.51807 2.21432 -54.81781 880.82269
2375.0000 -58.30810 -55.55207 2.75603 2.14258 -55.43122 781.50502
2380.0000 -57.85155 -55.48700 2.36455 2.10572 -55.74631 705.67042
2385.0000 -57.30283 -54.42285 2.87997 2.27430 -54.30504 869.76710
2390.0000 -55.84539 -53.26624 2.57915 2.39404 -53.28123 1035.45462
2395.0000 -56.12035 -52.99026 3.13009 2.41977 -53.06128 1031.81468
2400.0000 -57.05371 -54.55963 2.49408 2.29954 -54.08917 902.22605
2405.0000 -57.45482 -54.56797 2.88685 2.33526 -53.78377 925.93659
2410.0000 -57.43036 -55.06658 2.36378 2.16138 -55.27048 752.79032
2415.0000 -58.12906 -55.72684 2.40222 2.13920 -55.46013 756.63705
2420.0000 -56.74257 -53.64943 3.09314 2.22011 -54.76829 842.19312
2425.0000 -57.81774 -54.41486 3.40288 2.37492 -53.44470 1017.99725
2430.0000 -57.54290 -54.82701 2.71588 2.24944 -54.51759 816.91994
2435.0000 -56.47131 -54.36204 2.10927 2.26497 -54.38477 865.98389
2440.0000 -57.64887 -54.22191 3.42696 2.35626 -53.60428 938.60534
2445.0000 -57.44900 -53.94570 3.50330 2.30858 -54.01193 888.28034
2450.0000 -57.67308 -55.01763 2.65545 2.28199 -54.23922 873.82239
2455.0000 -57.10920 -54.17307 2.93613 2.26351 -54.39726 912.26448
2460.0000 -57.28423 -54.38952 2.89471 2.28229 -54.23669 886.20646
2465.0000 -57.23127 -54.89865 2.33262 2.17627 -55.14313 823.18148
2470.0000 -56.31381 -53.20910 3.10471 2.27371 -54.31004 901.73249
2475.0000 -56.62960 -54.18111 2.44849 2.33466 -53.78893 916.75162
2480.0000 -58.07859 -55.28048 2.79811 2.21337 -54.82597 881.60769
2485.0000 -57.51622 -54.84944 2.66678 2.14497 -55.41076 838.61668
2490.0000 -57.46902 -55.03909 2.42992 2.23475 -54.64314 860.68234
2495.0000 -58.27137 -55.71332 2.55806 2.17076 -55.19027 797.63133
2500.0000 -57.31396 -54.44891 2.86505 2.18439 -55.07370 824.92169
FREEZING PROCESS: loop number 11 T-loop= 855.00000000000000
main_MD> interactions number 11 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96498 -0.45008 -1.50723
force_rgl> df(natom) 2.17075 0.32780 -2.79996
2505.0000 -57.55905 -54.73887 2.82018 2.24265 -54.57557 901.24672
2510.0000 -58.63279 -55.29634 3.33645 2.20249 -54.91899 885.86416
2515.0000 -58.05954 -54.82077 3.23877 2.17077 -55.19020 854.70335
2520.0000 -57.45410 -54.19466 3.25943 2.25165 -54.49870 919.46908
2525.0000 -56.97737 -53.89040 3.08697 2.26770 -54.36142 865.35649
2530.0000 -57.85086 -55.29936 2.55150 2.24773 -54.53217 900.34003
2535.0000 -58.00765 -55.79673 2.21092 2.17964 -55.11434 828.64773
2540.0000 -57.10241 -54.48666 2.61575 2.19545 -54.97919 823.65232
2545.0000 -57.53308 -54.72071 2.81237 2.20822 -54.87002 860.22552
2550.0000 -57.50315 -54.25649 3.24666 2.20767 -54.87466 877.72402
2555.0000 -56.04364 -52.96736 3.07627 2.34508 -53.69982 981.24744
2560.0000 -56.70313 -53.78097 2.92215 2.38083 -53.39420 1028.37459
2565.0000 -56.69079 -54.31741 2.37338 2.32717 -53.85301 941.27698
2570.0000 -57.34113 -54.85639 2.48474 2.26363 -54.39626 917.92862
2575.0000 -57.47635 -55.25100 2.22535 2.26832 -54.35611 945.27439
2580.0000 -57.45533 -54.41258 3.04275 2.21222 -54.83581 871.81111
2585.0000 -57.57520 -55.10688 2.46833 2.29315 -54.14381 987.53092
2590.0000 -58.29652 -56.04753 2.24899 2.21097 -54.84645 826.46084
2595.0000 -57.02314 -54.84357 2.17957 2.14247 -55.43218 750.83465
2600.0000 -58.18692 -55.75766 2.42926 2.13853 -55.46585 754.24451
2605.0000 -58.29297 -55.19994 3.09303 2.13269 -55.51572 795.00235
2610.0000 -57.69977 -54.79374 2.90603 2.15582 -55.31802 838.09480
2615.0000 -57.73899 -54.80093 2.93806 2.18308 -55.08496 791.10057
2620.0000 -57.18321 -54.32433 2.85888 2.20360 -54.90952 841.06190
2625.0000 -57.91006 -54.28888 3.62118 2.29317 -54.14371 969.21572
2630.0000 -57.14276 -53.74846 3.39430 2.23774 -54.61758 904.25154
2635.0000 -56.94230 -53.06684 3.87547 2.34383 -53.71053 1004.34402
2640.0000 -57.23294 -54.65762 2.57532 2.34545 -53.69666 957.02880
2645.0000 -57.40723 -54.70402 2.70320 2.19575 -54.97658 829.88208
2650.0000 -58.95562 -56.19008 2.76553 2.17937 -55.11664 801.30943
2655.0000 -57.01214 -54.20313 2.80901 2.17207 -55.17907 809.97990
2660.0000 -57.90637 -55.01616 2.89021 2.18095 -55.10314 821.10893
2665.0000 -57.04864 -54.15369 2.89495 2.19493 -54.98358 862.50677
2670.0000 -57.80889 -54.42017 3.38872 2.23505 -54.64062 874.95675
2675.0000 -57.52494 -55.19694 2.32800 2.25071 -54.50674 919.97787
2680.0000 -57.48675 -54.21851 3.26823 2.21673 -54.79724 852.97819
2685.0000 -57.52127 -55.13967 2.38159 2.25593 -54.46207 866.91547
2690.0000 -58.04777 -54.89193 3.15584 2.22209 -54.75140 892.78906
2695.0000 -57.64771 -54.60847 3.03924 2.20412 -54.90503 875.69397
2700.0000 -57.24561 -54.57831 2.66730 2.27098 -54.33341 886.51587
2705.0000 -58.15713 -54.78769 3.36945 2.28041 -54.25278 963.98327
2710.0000 -57.19643 -54.07934 3.11709 2.23343 -54.65447 884.01281
2715.0000 -56.72720 -54.25629 2.47091 2.30947 -54.00434 954.09643
2720.0000 -57.56821 -54.64783 2.92039 2.24137 -54.58659 870.97875
2725.0000 -57.42654 -54.77763 2.64890 2.18483 -55.06999 848.46910
2730.0000 -58.65656 -56.07416 2.58240 2.16370 -55.25066 801.95322
2735.0000 -58.64874 -55.66442 2.98432 2.07148 -56.03911 702.25435
2740.0000 -57.55926 -55.63701 1.92225 2.11009 -55.70898 746.31136
2745.0000 -57.91938 -55.53351 2.38586 2.13944 -55.45802 738.75932
2750.0000 -56.77178 -53.71792 3.05386 2.20267 -54.91743 863.43237
FREEZING PROCESS: loop number 12 T-loop= 830.00000000000000
main_MD> interactions number 12 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66360 -1.31119 -2.33220
force_rgl> df(natom) 2.45822 -2.39990 1.48662
2755.0000 -56.87217 -53.73245 3.13972 2.34850 -53.67062 1015.25644
2760.0000 -57.03069 -54.46201 2.56869 2.35820 -53.58771 1002.30915
2765.0000 -56.74406 -53.67719 3.06687 2.29645 -54.11562 881.57600
2770.0000 -58.27036 -55.47738 2.79298 2.24676 -54.54043 896.19278
2775.0000 -57.46608 -55.25116 2.21492 2.16361 -55.25141 775.77591
2780.0000 -57.86867 -55.20750 2.66116 2.20167 -54.92598 856.32190
2785.0000 -57.27474 -54.01516 3.25958 2.26460 -54.38791 898.97129
2790.0000 -57.43023 -54.74257 2.68765 2.24489 -54.55643 909.67941
2795.0000 -57.49049 -54.86015 2.63034 2.24383 -54.56549 899.35255
2800.0000 -58.33479 -56.10598 2.22881 2.14560 -55.40535 752.96168
2805.0000 -57.62098 -55.65108 1.96991 2.12000 -55.62424 768.25053
2810.0000 -57.64083 -55.15312 2.48771 2.24673 -54.54072 907.48546
2815.0000 -57.91122 -55.72045 2.19077 2.12088 -55.61675 779.22156
2820.0000 -57.93471 -54.59818 3.33653 2.14474 -55.41271 814.31113
2825.0000 -57.42760 -54.33520 3.09241 2.29532 -54.12526 991.06388
2830.0000 -56.66484 -53.82117 2.84367 2.28107 -54.24711 905.00664
2835.0000 -57.53997 -54.09873 3.44125 2.31737 -53.93677 967.42172
2840.0000 -57.11638 -53.54838 3.56800 2.27276 -54.31819 926.87608
2845.0000 -57.04535 -54.23168 2.81366 2.30417 -54.04962 941.46597
2850.0000 -58.00702 -55.33076 2.67626 2.21713 -54.79384 879.91913
2855.0000 -57.52858 -55.84792 1.68066 2.09994 -55.79576 747.17594
2860.0000 -57.53698 -55.00368 2.53329 2.15419 -55.33191 753.87036
2865.0000 -58.33986 -55.44953 2.89034 2.12962 -55.54202 731.31787
2870.0000 -57.37790 -53.93229 3.44561 2.26748 -54.36336 951.69217
2875.0000 -57.83319 -54.12790 3.70528 2.32691 -53.85523 975.15827
2880.0000 -57.57221 -54.46132 3.11089 2.26931 -54.34768 927.93969
2885.0000 -58.14572 -55.38542 2.76031 2.21532 -54.80926 857.51749
2890.0000 -57.98583 -55.84419 2.14164 2.08658 -55.90995 748.95541
2895.0000 -56.43169 -53.68745 2.74423 2.18787 -55.04400 860.49886
2900.0000 -56.98190 -54.23932 2.74258 2.31777 -53.93338 940.99275
2905.0000 -56.51650 -53.47032 3.04618 2.34827 -53.67254 983.20618
2910.0000 -56.57627 -54.24752 2.32876 2.26792 -54.35952 907.81036
2915.0000 -57.70051 -54.28518 3.41534 2.24223 -54.57924 862.70202
2920.0000 -57.18763 -54.33285 2.85478 2.30753 -54.02089 972.98790
2925.0000 -58.18962 -54.92891 3.26071 2.27773 -54.27571 914.55698
2930.0000 -58.56880 -55.75589 2.81291 2.20790 -54.87273 889.59110
2935.0000 -59.26186 -56.82858 2.43328 2.04315 -56.28135 691.01756
2940.0000 -58.56902 -56.52072 2.04830 1.96670 -56.93493 644.89143
2945.0000 -58.47078 -55.33183 3.13896 2.05533 -56.17716 708.57677
2950.0000 -58.21264 -55.72277 2.48987 2.15160 -55.35405 810.04904
2955.0000 -58.66196 -55.87970 2.78226 2.14579 -55.40380 780.17725
2960.0000 -57.56341 -54.73622 2.82719 2.17791 -55.12917 865.94546
2965.0000 -58.10299 -55.78862 2.31436 2.12693 -55.56498 800.31100
2970.0000 -58.16477 -54.83378 3.33099 2.18553 -55.06401 824.43405
2975.0000 -57.58631 -55.27058 2.31572 2.14357 -55.42276 834.83682
2980.0000 -57.27306 -53.83744 3.43561 2.22214 -54.75098 892.97600
2985.0000 -57.83970 -55.05063 2.78907 2.29118 -54.16073 926.14072
2990.0000 -57.23593 -54.41710 2.81882 2.21066 -54.84915 813.74382
2995.0000 -57.15093 -54.02495 3.12599 2.28192 -54.23990 935.77771
3000.0000 -57.76742 -55.06968 2.69774 2.24418 -54.56254 833.78345
FREEZING PROCESS: loop number 13 T-loop= 805.00000000000000
main_MD> interactions number 13 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.08728 -1.82401 -0.98460
force_rgl> df(natom) -0.48896 -0.62787 -3.11544
3005.0000 -58.42809 -56.06592 2.36217 2.17991 -55.11207 846.36244
3010.0000 -58.60929 -56.56160 2.04769 2.06951 -56.05592 694.54708
3015.0000 -58.99521 -56.86678 2.12842 1.98659 -56.76487 658.49654
3020.0000 -58.24829 -55.46071 2.78759 2.01296 -56.53941 688.55379
3025.0000 -57.10572 -55.11315 1.99257 2.14834 -55.38198 757.27026
3030.0000 -57.76499 -55.20405 2.56095 2.19310 -54.99927 818.23569
3035.0000 -58.84267 -54.99905 3.84362 2.13118 -55.52868 779.33173
3040.0000 -58.85321 -56.20277 2.65044 2.14014 -55.45203 787.95215
3045.0000 -57.91031 -55.17433 2.73598 2.11705 -55.64947 757.15839
3050.0000 -57.27170 -55.05713 2.21457 2.16301 -55.25655 776.37865
3055.0000 -57.02001 -54.66493 2.35509 2.22233 -54.74934 850.33842
3060.0000 -57.88306 -54.94053 2.94254 2.16115 -55.27243 821.09885
3065.0000 -56.97208 -53.68123 3.29085 2.20318 -54.91304 821.85359
3070.0000 -57.14601 -54.24557 2.90044 2.29838 -54.09916 935.35613
3075.0000 -58.05532 -55.70178 2.35354 2.14749 -55.38924 796.21795
3080.0000 -58.12341 -55.65369 2.46972 2.11891 -55.63353 792.19107
3085.0000 -57.91914 -55.65629 2.26286 2.11837 -55.63819 731.57940
3090.0000 -57.85254 -54.74207 3.11047 2.15747 -55.30392 800.21383
3095.0000 -57.91891 -55.57037 2.34854 2.20563 -54.89213 809.68888
3100.0000 -57.52669 -55.92459 1.60211 2.10334 -55.76672 729.99211
3105.0000 -58.87233 -56.79167 2.08065 2.03153 -56.38064 663.52164
3110.0000 -57.88616 -55.31570 2.57046 2.08741 -55.90288 761.05154
3115.0000 -57.34201 -54.78003 2.56198 2.15202 -55.35051 831.53633
3120.0000 -58.77536 -56.48705 2.28832 2.11566 -55.66136 749.89033
3125.0000 -58.27496 -56.12608 2.14888 2.02488 -56.43752 672.34384
3130.0000 -58.03675 -55.38744 2.64930 2.10927 -55.71598 747.91045
3135.0000 -58.38612 -56.13844 2.24768 2.08440 -55.92864 755.88008
3140.0000 -58.69274 -56.07272 2.62002 2.10244 -55.77437 756.19233
3145.0000 -57.78419 -55.32166 2.46253 2.08096 -55.95802 748.33263
3150.0000 -57.27227 -54.24120 3.03107 2.24151 -54.58537 894.71925
3155.0000 -57.44990 -55.33686 2.11304 2.25585 -54.46273 843.01654
3160.0000 -57.69474 -55.17149 2.52325 2.17394 -55.16310 775.83984
3165.0000 -56.69416 -53.85690 2.83726 2.28158 -54.24280 893.13843
3170.0000 -57.89298 -55.23325 2.65973 2.24194 -54.58169 860.16749
3175.0000 -57.38409 -54.61120 2.77289 2.19759 -54.96088 855.96225
3180.0000 -58.31957 -55.85807 2.46150 2.16468 -55.24223 788.66465
3185.0000 -57.57876 -55.12597 2.45279 2.17878 -55.12167 845.64978
3190.0000 -57.38751 -53.84395 3.54356 2.22711 -54.70844 891.77116
3195.0000 -58.58667 -55.29017 3.29650 2.22611 -54.71705 857.19183
3200.0000 -57.27948 -54.05818 3.22129 2.21087 -54.84732 863.19259
3205.0000 -58.00883 -55.15912 2.84971 2.23593 -54.63307 906.85336
3210.0000 -57.64142 -55.48273 2.15869 2.15700 -55.30792 755.11639
3215.0000 -57.82440 -55.25812 2.56628 2.16556 -55.23469 798.56264
3220.0000 -58.16578 -55.84425 2.32153 2.12296 -55.59895 770.10486
3225.0000 -57.88741 -55.84528 2.04213 2.08980 -55.88248 725.81644
3230.0000 -58.08718 -56.10543 1.98175 2.08858 -55.89288 715.37792
3235.0000 -58.61758 -55.93855 2.67902 2.04311 -56.28162 691.38632
3240.0000 -57.82590 -55.53199 2.29391 2.08066 -55.96062 762.06028
3245.0000 -58.60911 -56.14977 2.45934 2.10918 -55.71678 745.13042
3250.0000 -57.95898 -56.18920 1.76978 2.07005 -56.05133 698.94696
FREEZING PROCESS: loop number 14 T-loop= 780.00000000000000
main_MD> interactions number 14 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96450 -0.35343 -2.03164
force_rgl> df(natom) -0.68103 -1.28060 0.09600
3255.0000 -58.27667 -56.59184 1.68483 2.02508 -56.43578 683.72325
3260.0000 -58.78065 -55.75431 3.02635 2.00568 -56.60165 663.35147
3265.0000 -57.86082 -55.30064 2.56018 2.10388 -55.76206 739.94831
3270.0000 -57.46317 -55.04703 2.41614 2.13460 -55.49947 812.87257
3275.0000 -57.73538 -55.48783 2.24755 2.19316 -54.99876 838.48645
3280.0000 -56.89787 -54.36743 2.53045 2.17660 -55.14037 810.15053
3285.0000 -58.23472 -56.30436 1.93036 2.18635 -55.05700 866.75843
3290.0000 -57.99668 -55.29268 2.70400 2.13027 -55.53648 783.68467
3295.0000 -57.31523 -54.81415 2.50108 2.12913 -55.54616 737.03152
3300.0000 -57.91577 -54.71073 3.20504 2.18289 -55.08655 849.25498
3305.0000 -58.55706 -56.56470 1.99236 2.06137 -56.12552 715.27800
3310.0000 -58.29708 -55.35887 2.93821 2.07187 -56.03576 699.20489
3315.0000 -57.71406 -55.03108 2.68298 2.12624 -55.57088 789.87299
3320.0000 -57.82602 -54.65297 3.17306 2.20213 -54.92202 886.16042
3325.0000 -58.25495 -55.06096 3.19400 2.20232 -54.92047 864.23866
3330.0000 -57.16374 -55.11050 2.05323 2.21232 -54.83491 872.59058
3335.0000 -57.54850 -54.86678 2.68172 2.17182 -55.18118 776.97529
3340.0000 -58.45355 -55.31104 3.14251 2.11486 -55.66823 758.41690
3345.0000 -57.99253 -55.76397 2.22856 2.09309 -55.85435 732.54193
3350.0000 -59.06232 -57.13287 1.92945 2.04685 -56.24971 720.88285
3355.0000 -58.75108 -56.84372 1.90736 1.98609 -56.76914 664.24465
3360.0000 -58.81318 -55.93151 2.88167 2.02539 -56.43314 678.23126
3365.0000 -58.24670 -56.13391 2.11278 2.05806 -56.15380 769.31317
3370.0000 -58.16995 -55.74108 2.42887 2.06319 -56.10995 724.27948
3375.0000 -57.36393 -54.84407 2.51987 2.16847 -55.20984 794.63694
3380.0000 -57.79754 -55.11670 2.68084 2.19550 -54.97871 835.43916
3385.0000 -58.01086 -55.31225 2.69860 2.12003 -55.62398 769.24420
3390.0000 -58.24799 -56.02595 2.22205 2.13429 -55.50204 727.28728
3395.0000 -58.85302 -56.81156 2.04146 2.04819 -56.23822 712.17002
3400.0000 -58.46043 -56.35531 2.10512 2.00291 -56.62539 673.11087
3405.0000 -59.19972 -56.20663 2.99309 2.02547 -56.43247 666.25811
3410.0000 -57.97666 -54.50023 3.47643 2.10291 -55.77041 756.23092
3415.0000 -57.36926 -55.24367 2.12560 2.25983 -54.42871 904.51977
3420.0000 -58.04072 -55.27708 2.76364 2.17598 -55.14567 812.42008
3425.0000 -57.69353 -56.07160 1.62193 2.13358 -55.50813 815.86997
3430.0000 -58.49585 -56.13997 2.35588 2.09970 -55.79781 740.69702
3435.0000 -57.81474 -55.56355 2.25120 2.00749 -56.58621 630.73406
3440.0000 -58.03287 -55.13776 2.89510 2.20941 -54.85981 818.94852
3445.0000 -57.46538 -54.43784 3.02754 2.17892 -55.12050 783.64825
3450.0000 -56.94720 -54.80228 2.14492 2.26601 -54.37585 836.16890
3455.0000 -57.42401 -54.79804 2.62596 2.17055 -55.19210 798.65759
3460.0000 -57.65685 -55.10935 2.54750 2.16170 -55.26770 784.06122
3465.0000 -58.35139 -55.08659 3.26480 2.18118 -55.10120 849.94935
3470.0000 -58.41335 -54.82357 3.58978 2.17260 -55.17454 847.55357
3475.0000 -58.80196 -55.02496 3.77700 2.18099 -55.10276 873.07617
3480.0000 -57.66351 -55.05394 2.60956 2.20376 -54.90814 869.11285
3485.0000 -58.76340 -56.49097 2.27243 2.11551 -55.66261 770.84023
3490.0000 -57.72355 -55.48051 2.24304 2.08797 -55.89808 716.55091
3495.0000 -57.77884 -54.74712 3.03172 2.16316 -55.25525 774.39894
3500.0000 -57.89798 -55.35121 2.54677 2.16241 -55.26161 825.15459
FREEZING PROCESS: loop number 15 T-loop= 755.00000000000000
main_MD> interactions number 15 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.73885 2.70037 -1.56803
force_rgl> df(natom) -0.51683 -0.07955 1.89811
3505.0000 -57.63769 -54.95715 2.68054 2.18662 -55.05462 854.73420
3510.0000 -57.86239 -55.28012 2.58227 2.20895 -54.86376 855.33712
3515.0000 -57.44543 -55.37548 2.06996 2.14204 -55.43581 781.12040
3520.0000 -57.91293 -55.04631 2.86663 2.21177 -54.83965 803.97271
3525.0000 -57.92978 -55.07800 2.85179 2.16583 -55.23244 810.18599
3530.0000 -57.62706 -55.43467 2.19239 2.15859 -55.29430 807.80038
3535.0000 -57.79952 -55.41613 2.38339 2.08193 -55.94978 731.68679
3540.0000 -58.27288 -55.62770 2.64518 2.08133 -55.95486 725.25173
3545.0000 -58.66419 -55.84236 2.82184 2.14534 -55.40756 800.88613
3550.0000 -58.24021 -55.96598 2.27423 2.00473 -56.60984 649.09760
3555.0000 -57.82299 -55.53683 2.28616 2.11987 -55.62535 809.93752
3560.0000 -58.83460 -56.27118 2.56342 2.10167 -55.78098 800.08414
3565.0000 -57.87174 -55.37930 2.49243 2.05172 -56.20807 728.50188
3570.0000 -57.79185 -54.91000 2.88185 2.19431 -54.98892 856.42902
3575.0000 -58.03538 -55.64671 2.38867 2.17485 -55.15529 790.13923
3580.0000 -57.58394 -55.20321 2.38074 2.12595 -55.57335 743.84017
3585.0000 -57.92630 -55.39075 2.53554 2.18627 -55.05765 869.77022
3590.0000 -57.86336 -54.99439 2.86897 2.13111 -55.52924 806.68242
3595.0000 -57.91869 -56.49677 1.42191 2.11731 -55.64725 754.04860
3600.0000 -58.80135 -57.15989 1.64146 1.96104 -56.98335 576.02442
3605.0000 -58.85224 -56.63785 2.21439 1.96502 -56.94931 607.77885
3610.0000 -58.36308 -56.36133 2.00175 2.02147 -56.46668 725.45815
3615.0000 -58.30286 -56.40845 1.89441 2.02559 -56.43143 741.21490
3620.0000 -57.98003 -55.97402 2.00600 2.07984 -55.96759 780.03891
3625.0000 -58.04413 -56.38735 1.65678 2.05396 -56.18889 699.24748
3630.0000 -58.42428 -55.78617 2.63811 2.09597 -55.82971 744.35068
3635.0000 -57.99383 -55.68263 2.31119 2.15829 -55.29691 837.14563
3640.0000 -57.20800 -54.76590 2.44210 2.10820 -55.72516 764.48534
3645.0000 -58.17150 -55.93626 2.23524 2.11444 -55.67183 760.61170
3650.0000 -57.56365 -55.23284 2.33080 2.12012 -55.62321 749.70707
3655.0000 -57.84453 -55.57845 2.26609 2.15468 -55.32772 739.20610
3660.0000 -57.84775 -55.46627 2.38147 2.13654 -55.48286 713.60629
3665.0000 -58.92199 -55.89273 3.02926 2.13824 -55.46828 783.43723
3670.0000 -58.24972 -55.93885 2.31087 2.05195 -56.20608 691.86728
3675.0000 -58.61235 -56.50622 2.10613 2.05235 -56.20264 728.18366
3680.0000 -58.10616 -55.74447 2.36169 2.05793 -56.15493 682.48658
3685.0000 -58.43180 -56.01020 2.42161 2.12047 -55.62026 780.41907
3690.0000 -57.86935 -54.51608 3.35327 2.16863 -55.20851 827.80651
3695.0000 -59.11071 -56.91877 2.19194 2.10608 -55.74325 746.75366
3700.0000 -58.38474 -55.59098 2.79375 2.06726 -56.07518 710.73143
3705.0000 -57.75258 -55.99431 1.75828 2.13467 -55.49884 768.93725
3710.0000 -58.61376 -56.47462 2.13913 2.01210 -56.54679 617.15641
3715.0000 -58.25839 -55.84516 2.41323 2.08570 -55.91756 677.52948
3720.0000 -57.72850 -55.54944 2.17906 2.10851 -55.72252 746.78437
3725.0000 -58.01636 -55.61053 2.40583 2.11791 -55.64212 741.63207
3730.0000 -58.77456 -56.63905 2.13551 2.11223 -55.69072 716.72179
3735.0000 -58.18954 -56.21801 1.97153 1.97650 -56.85115 615.25267
3740.0000 -57.31236 -55.11396 2.19839 2.08429 -55.92955 732.49659
3745.0000 -57.70153 -54.94279 2.75874 2.16603 -55.23067 839.17705
3750.0000 -58.56064 -56.35557 2.20507 2.09715 -55.81965 752.59121
FREEZING PROCESS: loop number 16 T-loop= 730.00000000000000
main_MD> interactions number 16 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66284 -0.68338 0.00804
force_rgl> df(natom) -3.25843 2.18358 -4.19533
3755.0000 -58.58156 -56.34314 2.23842 2.02697 -56.41962 687.14469
3760.0000 -58.00637 -55.58215 2.42422 2.11560 -55.66187 791.58463
3765.0000 -57.93944 -55.10510 2.83434 2.12190 -55.60803 801.80366
3770.0000 -58.73059 -56.38388 2.34672 2.10620 -55.74223 785.13585
3775.0000 -57.49906 -55.08733 2.41172 2.17078 -55.19006 849.37378
3780.0000 -58.31113 -55.90145 2.40968 2.11612 -55.65746 777.83621
3785.0000 -58.49323 -55.85785 2.63537 2.06282 -56.11314 705.22932
3790.0000 -58.00821 -55.99921 2.00900 2.06134 -56.12579 688.23098
3795.0000 -57.17667 -54.96109 2.21557 2.16421 -55.24629 798.63404
3800.0000 -57.89019 -55.33003 2.56016 2.16593 -55.23153 784.83485
3805.0000 -58.14214 -55.57714 2.56500 2.15395 -55.33396 804.36991
3810.0000 -58.43597 -55.99000 2.44597 2.09525 -55.83588 753.18006
3815.0000 -58.33689 -56.18814 2.14875 2.05780 -56.15607 705.90659
3820.0000 -58.21163 -55.92877 2.28287 2.05347 -56.19308 684.73988
3825.0000 -58.36794 -55.84296 2.52498 2.06522 -56.09258 702.94285
3830.0000 -58.39660 -55.92985 2.46676 2.05343 -56.19346 704.82987
3835.0000 -57.77819 -55.18037 2.59782 2.13234 -55.51872 789.62503
3840.0000 -58.36444 -55.51308 2.85136 2.12245 -55.60334 758.12890
3845.0000 -56.85490 -54.66393 2.19097 2.11039 -55.70643 694.21041
3850.0000 -57.47219 -55.55566 1.91652 2.17062 -55.19142 776.48475
3855.0000 -58.89794 -56.26230 2.63564 2.09960 -55.79864 750.78285
3860.0000 -57.99573 -55.58880 2.40693 2.01418 -56.52898 656.09122
3865.0000 -58.79880 -56.75674 2.04206 2.08433 -55.92919 743.92536
3870.0000 -58.94026 -56.67279 2.26747 1.95334 -57.04916 604.99660
3875.0000 -57.58691 -55.40118 2.18573 2.08989 -55.88170 738.14070
3880.0000 -57.72722 -55.32339 2.40382 2.18477 -55.07046 878.33716
3885.0000 -58.42138 -56.11038 2.31099 2.09806 -55.81188 727.78220
3890.0000 -58.86937 -56.43138 2.43799 2.04155 -56.29495 706.43078
3895.0000 -58.87178 -56.79848 2.07330 1.95529 -57.03250 615.28397
3900.0000 -58.76733 -56.35338 2.41395 2.01587 -56.51457 663.13510
3905.0000 -58.88485 -56.16464 2.72021 2.02062 -56.47395 617.86936
3910.0000 -57.68189 -54.91128 2.77061 2.13314 -55.51187 768.15242
3915.0000 -57.89376 -55.90124 1.99252 2.10341 -55.76607 761.72750
3920.0000 -58.56159 -55.72683 2.83476 2.06555 -56.08979 701.71163
3925.0000 -58.21290 -55.90237 2.31053 2.10319 -55.76794 702.87151
3930.0000 -56.68190 -54.23375 2.44815 2.20356 -54.90980 817.74758
3935.0000 -59.25793 -55.97510 3.28284 2.16741 -55.21895 829.89232
3940.0000 -58.03762 -55.35239 2.68523 2.10059 -55.79022 745.79336
3945.0000 -58.47945 -55.56857 2.91088 2.14064 -55.44778 730.89915
3950.0000 -58.70742 -55.99032 2.71710 2.05178 -56.20756 699.76998
3955.0000 -58.87009 -56.89486 1.97523 2.03059 -56.38873 694.94180
3960.0000 -58.97870 -56.78728 2.19142 1.98718 -56.75984 651.24715
3965.0000 -58.40155 -56.16624 2.23531 2.03001 -56.39366 676.01118
3970.0000 -58.47772 -56.29974 2.17798 2.08230 -55.94654 679.92005
3975.0000 -59.23475 -56.43473 2.80002 2.06204 -56.11984 679.42565
3980.0000 -59.21563 -57.00694 2.20869 2.02283 -56.45508 686.66663
3985.0000 -58.58911 -56.82758 1.76153 2.02030 -56.47665 648.99610
3990.0000 -58.09226 -56.15823 1.93404 2.05660 -56.16630 698.46578
3995.0000 -58.44750 -57.19880 1.24870 2.00509 -56.60673 626.96627
4000.0000 -59.39539 -57.28573 2.10966 1.97688 -56.84790 626.81265
FREEZING PROCESS: loop number 17 T-loop= 705.00000000000000
main_MD> interactions number 17 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79911 -0.38487 -0.60226
force_rgl> df(natom) -0.29695 -0.40094 0.13392
4005.0000 -58.62971 -56.50813 2.12158 1.92178 -57.31897 580.76257
4010.0000 -58.97389 -56.02936 2.94452 2.02632 -56.42521 660.33385
4015.0000 -59.49485 -57.92985 1.56500 1.98694 -56.76191 665.09886
4020.0000 -58.97887 -56.49831 2.48057 1.95159 -57.06417 651.18056
4025.0000 -59.12072 -56.66872 2.45200 2.00375 -56.61820 696.51988
4030.0000 -58.46947 -56.31407 2.15540 2.03277 -56.37005 706.61523
4035.0000 -58.79169 -56.52893 2.26276 2.02447 -56.44099 679.45262
4040.0000 -58.68890 -56.39378 2.29512 2.05735 -56.15989 717.93323
4045.0000 -58.14431 -56.14010 2.00421 2.10949 -55.71410 734.39519
4050.0000 -57.77863 -56.00481 1.77382 2.10465 -55.75551 711.52910
4055.0000 -57.78458 -55.53713 2.24745 2.11278 -55.68596 772.60925
4060.0000 -59.15507 -56.31056 2.84451 2.11768 -55.64407 805.41941
4065.0000 -59.08424 -56.57746 2.50678 2.01206 -56.54712 666.45216
4070.0000 -58.71694 -56.92452 1.79242 1.99637 -56.68128 679.06414
4075.0000 -58.20133 -55.27529 2.92604 2.03017 -56.39232 657.02474
4080.0000 -57.58633 -55.26841 2.31792 2.19458 -54.98657 830.71651
4085.0000 -57.84750 -55.59431 2.25319 2.11574 -55.66067 739.13424
4090.0000 -58.14840 -56.07642 2.07197 2.06520 -56.09279 700.33124
4095.0000 -57.71350 -55.56321 2.15030 2.08406 -55.93154 705.92828
4100.0000 -57.47881 -55.02892 2.44989 2.18178 -55.09606 796.73093
4105.0000 -58.15953 -56.22331 1.93622 2.09656 -55.82468 758.06004
4110.0000 -58.35646 -56.08071 2.27574 2.09676 -55.82293 751.53677
4115.0000 -58.62461 -56.01455 2.61007 2.04997 -56.22302 748.43414
4120.0000 -58.10611 -55.53306 2.57305 2.09945 -55.79994 750.45182
4125.0000 -58.47564 -56.18493 2.29071 2.06924 -56.05826 721.16132
4130.0000 -58.93669 -56.78303 2.15366 2.00150 -56.63744 661.76225
4135.0000 -58.63218 -56.09617 2.53602 1.99251 -56.71431 647.02414
4140.0000 -58.35274 -55.87763 2.47511 1.95258 -57.05565 594.00472
4145.0000 -58.07511 -56.31010 1.76501 2.10180 -55.77984 750.57621
4150.0000 -57.31933 -55.45120 1.86813 2.09338 -55.85183 720.43135
4155.0000 -57.91973 -54.88727 3.03245 2.20686 -54.88162 823.43499
4160.0000 -57.37203 -54.27471 3.09731 2.18700 -55.05138 837.80589
4165.0000 -58.25946 -55.59040 2.66906 2.16064 -55.27683 837.35131
4170.0000 -58.42634 -56.89705 1.52929 2.00511 -56.60657 630.80311
4175.0000 -59.03691 -57.23150 1.80542 1.94435 -57.12608 576.79970
4180.0000 -58.83743 -56.54333 2.29410 1.98043 -56.81759 640.03032
4185.0000 -58.83868 -57.13269 1.70599 1.97115 -56.89693 593.78809
4190.0000 -58.48067 -56.36989 2.11078 1.97555 -56.85926 633.60573
4195.0000 -59.12979 -56.67227 2.45752 2.03684 -56.33529 715.14111
4200.0000 -58.58933 -55.97283 2.61650 2.00760 -56.58527 656.70596
4205.0000 -57.66183 -55.52841 2.13342 2.05043 -56.21904 711.20340
4210.0000 -58.54534 -55.66666 2.87868 2.13626 -55.48519 854.37446
4215.0000 -58.91975 -56.95899 1.96075 2.04539 -56.26215 728.24039
4220.0000 -59.26882 -57.47146 1.79736 1.97902 -56.82961 664.86160
4225.0000 -59.19422 -57.39342 1.80080 1.88467 -57.63630 540.49799
4230.0000 -59.17160 -57.05557 2.11603 1.91730 -57.35733 569.61807
4235.0000 -58.41610 -55.96553 2.45057 2.05197 -56.20588 692.86718
4240.0000 -58.12628 -55.39415 2.73213 2.13156 -55.52540 763.28724
4245.0000 -58.03461 -56.06841 1.96620 2.12956 -55.54249 747.39800
4250.0000 -58.37194 -56.30340 2.06854 2.00347 -56.62057 644.78981
FREEZING PROCESS: loop number 18 T-loop= 680.00000000000000
main_MD> interactions number 18 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88349 -1.69990 -2.91421
force_rgl> df(natom) 2.15314 1.33268 2.09631
4255.0000 -57.91497 -55.47947 2.43550 2.07186 -56.03583 739.89618
4260.0000 -59.49404 -56.83132 2.66272 2.03658 -56.33751 704.34735
4265.0000 -58.53604 -56.35956 2.17648 2.02656 -56.42317 690.90284
4270.0000 -58.78284 -56.65313 2.12970 2.05600 -56.17147 688.37062
4275.0000 -58.61081 -55.97840 2.63241 2.02580 -56.42962 655.24422
4280.0000 -58.76348 -56.25674 2.50674 2.07925 -55.97269 754.22088
4285.0000 -58.00515 -55.92016 2.08500 2.05552 -56.17558 745.25189
4290.0000 -58.41375 -56.44656 1.96718 2.06520 -56.09282 710.77407
4295.0000 -58.95872 -56.07928 2.87944 2.05828 -56.15195 643.54853
4300.0000 -58.18437 -56.19287 1.99150 2.06373 -56.10537 716.72563
4305.0000 -58.59496 -56.73271 1.86224 2.02366 -56.44795 644.72746
4310.0000 -58.31622 -56.02112 2.29510 2.00183 -56.63461 653.68100
4315.0000 -58.23090 -56.40349 1.82741 2.06612 -56.08492 734.61011
4320.0000 -57.25830 -54.99835 2.25995 2.11650 -55.65420 742.18737
4325.0000 -57.34340 -54.88166 2.46175 2.12821 -55.55406 726.06102
4330.0000 -58.65304 -56.41085 2.24219 2.08423 -55.93005 739.51081
4335.0000 -59.13171 -57.34643 1.78527 1.96740 -56.92893 606.64539
4340.0000 -59.35551 -57.35338 2.00213 1.93201 -57.23154 589.37053
4345.0000 -58.64588 -56.83850 1.80737 1.90919 -57.42668 549.67621
4350.0000 -58.58807 -56.29088 2.29719 2.03857 -56.32045 685.86086
4355.0000 -58.61493 -56.59388 2.02105 1.99962 -56.65351 646.24000
4360.0000 -57.98056 -55.62907 2.35149 2.06269 -56.11424 702.02580
4365.0000 -57.71805 -55.13902 2.57903 2.15920 -55.28906 781.67187
4370.0000 -57.92722 -56.22430 1.70292 2.13438 -55.50128 803.94254
4375.0000 -58.14504 -55.29856 2.84648 2.10727 -55.73313 784.59221
4380.0000 -58.78497 -56.81272 1.97225 2.06456 -56.09829 688.18806
4385.0000 -58.65518 -57.16765 1.48753 1.96214 -56.97393 577.06684
4390.0000 -58.30634 -56.92553 1.38081 1.97043 -56.90310 633.56027
4395.0000 -59.38113 -56.95011 2.43102 2.03379 -56.36130 696.26717
4400.0000 -58.29112 -56.11363 2.17749 2.00832 -56.57914 643.22587
4405.0000 -58.52013 -56.36359 2.15654 2.03825 -56.32323 682.85694
4410.0000 -58.77743 -56.32869 2.44874 2.04221 -56.28936 703.27908
4415.0000 -58.70141 -55.77484 2.92656 2.07443 -56.01387 711.81592
4420.0000 -57.73596 -55.70683 2.02913 2.09952 -55.79939 730.64693
4425.0000 -57.85941 -56.21160 1.64781 2.03980 -56.30994 653.84961
4430.0000 -58.11506 -56.17481 1.94024 2.06829 -56.06636 693.95972
4435.0000 -58.77889 -56.66586 2.11303 2.04119 -56.29806 713.86786
4440.0000 -58.83740 -56.47758 2.35982 1.99689 -56.67687 637.41221
4445.0000 -58.61681 -56.31081 2.30600 2.05652 -56.16704 679.96424
4450.0000 -59.10305 -56.60400 2.49905 2.02924 -56.40021 677.54340
4455.0000 -59.32694 -57.10485 2.22209 2.03070 -56.38773 662.00450
4460.0000 -58.27964 -56.41640 1.86324 2.00460 -56.61089 666.75608
4465.0000 -58.65611 -56.80312 1.85299 1.99734 -56.67295 598.36887
4470.0000 -58.34811 -56.62370 1.72441 2.01942 -56.48421 639.98929
4475.0000 -58.13179 -56.31339 1.81841 2.04225 -56.28897 700.42374
4480.0000 -58.80179 -57.05916 1.74263 1.97586 -56.85664 654.04955
4485.0000 -58.03644 -55.32297 2.71347 2.08240 -55.94570 744.49746
4490.0000 -57.12697 -54.71489 2.41208 2.20986 -54.85593 860.73346
4495.0000 -57.92684 -55.23131 2.69554 2.19187 -55.00977 761.84160
4500.0000 -58.64676 -56.75395 1.89281 2.08006 -55.96570 731.51930
FREEZING PROCESS: loop number 19 T-loop= 655.00000000000000
main_MD> interactions number 19 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.27831 -1.73448 0.29391
force_rgl> df(natom) -1.92883 0.03424 0.57974
4505.0000 -59.25348 -56.73866 2.51482 1.93750 -57.18458 575.11867
4510.0000 -59.27758 -56.23767 3.03991 2.00438 -56.61277 710.69251
4515.0000 -58.32909 -56.10599 2.22310 2.06773 -56.07120 771.91922
4520.0000 -58.36689 -56.22242 2.14446 2.06602 -56.08581 720.71488
4525.0000 -59.09824 -57.42604 1.67220 2.00242 -56.62955 661.59813
4530.0000 -58.97490 -57.16243 1.81247 1.91853 -57.34677 587.53266
4535.0000 -59.22753 -57.18731 2.04022 1.94209 -57.14535 586.66886
4540.0000 -58.96626 -56.68596 2.28029 1.97530 -56.86141 622.59133
4545.0000 -58.98648 -56.41928 2.56720 1.99480 -56.69470 646.18996
4550.0000 -58.46864 -56.75759 1.71106 1.99865 -56.66175 678.09046
4555.0000 -58.18945 -56.29654 1.89291 1.97054 -56.90211 647.94024
4560.0000 -58.44328 -56.04311 2.40016 2.03936 -56.31368 728.37381
4565.0000 -58.47618 -56.03229 2.44388 2.09138 -55.86891 792.19585
4570.0000 -58.22064 -56.06933 2.15130 2.05180 -56.20738 713.20397
4575.0000 -58.75921 -56.20665 2.55256 2.00450 -56.61172 663.73457
4580.0000 -58.37951 -56.05983 2.31968 2.08108 -55.95701 726.68325
4585.0000 -58.27092 -56.47789 1.79303 2.08122 -55.95579 751.07151
4590.0000 -58.92565 -56.89068 2.03497 1.97440 -56.86911 606.23411
4595.0000 -58.48999 -56.68932 1.80067 2.01544 -56.51824 654.94197
4600.0000 -58.88799 -56.92155 1.96644 1.97679 -56.84872 599.15618
4605.0000 -58.98497 -56.87731 2.10766 1.99277 -56.71203 653.86984
4610.0000 -58.23009 -55.89759 2.33249 2.05085 -56.21552 715.43771
4615.0000 -59.61091 -57.55736 2.05355 1.97143 -56.89448 633.07961
4620.0000 -58.96863 -57.23497 1.73366 1.91863 -57.34599 539.95028
4625.0000 -58.40599 -56.62472 1.78127 2.01337 -56.53589 647.95474
4630.0000 -57.96886 -56.03305 1.93581 2.07327 -56.02376 677.26880
4635.0000 -58.01835 -56.31071 1.70764 2.06707 -56.07683 701.64930
4640.0000 -58.85397 -56.79686 2.05712 2.00539 -56.60413 642.94511
4645.0000 -58.56929 -56.27415 2.29514 2.05374 -56.19080 665.53091
4650.0000 -58.69958 -56.72005 1.97953 2.02229 -56.45968 676.06183
4655.0000 -58.36090 -55.91359 2.44731 2.03745 -56.33001 725.12019
4660.0000 -58.88283 -56.58569 2.29714 2.03828 -56.32294 679.34181
4665.0000 -58.07840 -56.09437 1.98403 2.03741 -56.33042 673.15368
4670.0000 -57.86222 -55.57853 2.28370 2.13331 -55.51047 763.18258
4675.0000 -57.95785 -55.74759 2.21026 2.11064 -55.70426 725.06264
4680.0000 -57.89613 -56.01754 1.87859 2.08458 -55.92706 736.84370
4685.0000 -59.34615 -56.69211 2.65403 1.96443 -56.95440 592.02253
4690.0000 -58.36518 -56.83601 1.52918 1.99526 -56.69079 641.63368
4695.0000 -58.49011 -57.30236 1.18775 1.91863 -57.34592 506.86309
4700.0000 -58.80046 -56.81045 1.99001 1.92897 -57.25751 523.80301
4705.0000 -58.78415 -56.63702 2.14712 1.99804 -56.66704 658.44195
4710.0000 -59.36767 -57.27242 2.09525 2.00514 -56.60626 613.20355
4715.0000 -58.54984 -56.91727 1.63258 1.91864 -57.34583 582.74053
4720.0000 -58.85561 -57.01606 1.83954 1.97220 -56.88790 600.12388
4725.0000 -59.12490 -56.54698 2.57793 1.98440 -56.78362 620.32018
4730.0000 -58.34411 -56.39129 1.95282 1.98026 -56.81898 617.82288
4735.0000 -58.39726 -56.42013 1.97712 2.01065 -56.55918 665.04493
4740.0000 -58.64809 -56.17011 2.47798 2.01426 -56.52831 660.79191
4745.0000 -58.64197 -56.10344 2.53852 2.03913 -56.31570 687.25986
4750.0000 -58.16004 -56.24049 1.91955 2.05044 -56.21897 706.42289
FREEZING PROCESS: loop number 20 T-loop= 630.00000000000000
main_MD> interactions number 20 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33540 -0.28344 0.07768
force_rgl> df(natom) 4.80392 0.88979 3.46335
4755.0000 -58.76687 -56.57694 2.18993 2.02567 -56.43075 667.30587
4760.0000 -59.02170 -57.26046 1.76124 1.96472 -56.95191 601.03686
4765.0000 -58.94927 -57.29897 1.65030 1.94347 -57.13359 588.81116
4770.0000 -58.43183 -56.60364 1.82819 1.97992 -56.82192 634.02800
4775.0000 -59.15211 -57.45793 1.69418 1.92353 -57.30404 546.26154
4780.0000 -59.20610 -57.09298 2.11312 1.92587 -57.28406 606.50742
4785.0000 -59.11325 -57.40905 1.70420 1.92661 -57.27771 621.37031
4790.0000 -59.47463 -57.39398 2.08065 1.92053 -57.32967 599.25026
4795.0000 -59.03923 -57.07832 1.96092 1.88722 -57.61447 569.05155
4800.0000 -58.66889 -56.47760 2.19129 1.96554 -56.94487 625.40705
4805.0000 -59.03336 -57.48176 1.55160 1.97880 -56.83152 631.30736
4810.0000 -58.95340 -56.36276 2.59063 1.98722 -56.75948 614.16328
4815.0000 -59.06868 -57.48734 1.58134 1.94362 -57.13227 549.94401
4820.0000 -58.73450 -56.69372 2.04078 1.97968 -56.82399 647.56656
4825.0000 -58.52478 -57.12702 1.39775 1.95194 -57.06114 584.01236
4830.0000 -59.41418 -56.77865 2.63553 1.96407 -56.95746 641.12102
4835.0000 -59.27483 -57.51284 1.76199 1.93770 -57.18293 579.91935
4840.0000 -58.76128 -57.09211 1.66917 1.93975 -57.16537 573.00461
4845.0000 -58.93137 -56.98569 1.94568 1.99628 -56.68202 645.40173
4850.0000 -58.29729 -56.73598 1.56131 2.01634 -56.51053 644.81333
4855.0000 -58.84905 -56.55937 2.28968 2.03397 -56.35978 695.57357
4860.0000 -58.98067 -56.78352 2.19715 1.97955 -56.82505 597.80860
4865.0000 -58.97303 -56.82352 2.14951 1.98412 -56.78600 668.48583
4870.0000 -58.60566 -56.72927 1.87640 1.98471 -56.78096 644.79888
4875.0000 -58.23929 -56.34868 1.89061 1.99208 -56.71798 618.14209
4880.0000 -58.80626 -56.48421 2.32205 2.04268 -56.28530 687.68690
4885.0000 -58.75314 -56.35216 2.40098 1.99981 -56.65184 678.47503
4890.0000 -58.67969 -56.83301 1.84668 2.04004 -56.30791 657.95467
4895.0000 -58.45653 -56.88329 1.57324 2.00538 -56.60424 662.70885
4900.0000 -58.79249 -57.14939 1.64310 1.96068 -56.98646 590.80785
4905.0000 -58.03977 -56.52746 1.51231 1.98625 -56.76778 614.44062
4910.0000 -59.10435 -57.42151 1.68285 1.95461 -57.03829 611.11520
4915.0000 -59.74503 -57.95740 1.78763 1.86086 -57.83987 540.26693
4920.0000 -58.87517 -56.90060 1.97457 1.92401 -57.29991 585.50422
4925.0000 -59.14885 -57.09021 2.05864 1.97058 -56.90179 636.48107
4930.0000 -58.82437 -56.95307 1.87131 2.00643 -56.59525 641.07289
4935.0000 -58.95928 -56.61682 2.34246 1.94045 -57.15941 581.00856
4940.0000 -59.29734 -57.57339 1.72395 1.94270 -57.14013 569.61250
4945.0000 -58.83015 -56.95598 1.87417 1.92696 -57.27475 565.72329
4950.0000 -59.20863 -57.48917 1.71947 1.94795 -57.09525 607.27454
4955.0000 -59.27256 -57.67466 1.59790 1.90678 -57.44726 546.40683
4960.0000 -59.06012 -56.94311 2.11702 1.92455 -57.29529 605.37620
4965.0000 -59.34471 -57.67131 1.67340 1.90929 -57.42576 582.54679
4970.0000 -58.96684 -57.34643 1.62042 1.90417 -57.46957 582.23267
4975.0000 -58.75162 -56.82828 1.92334 1.95204 -57.06027 629.01196
4980.0000 -58.98796 -56.86378 2.12418 1.96056 -56.98742 620.01949
4985.0000 -59.04315 -56.92913 2.11402 1.99718 -56.67437 640.73955
4990.0000 -58.96277 -57.09386 1.86892 1.98034 -56.81835 645.36292
4995.0000 -58.89778 -57.04988 1.84790 1.96123 -56.98172 624.79617
5000.0000 -57.83868 -55.26088 2.57780 2.06001 -56.13715 690.82396
FREEZING PROCESS: loop number 21 T-loop= 605.00000000000000
main_MD> interactions number 21 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.87794 -1.39431 -0.37041
force_rgl> df(natom) -1.30448 1.80281 0.21506
5005.0000 -58.55248 -56.81736 1.73512 2.12205 -55.60671 766.27768
5010.0000 -59.37080 -57.14027 2.23054 1.97594 -56.85595 601.43272
5015.0000 -59.32688 -57.32863 1.99826 1.92768 -57.26857 554.76245
5020.0000 -59.21852 -57.11026 2.10825 1.94636 -57.10883 622.21847
5025.0000 -59.34801 -57.87706 1.47094 1.92443 -57.29636 610.92198
5030.0000 -59.38044 -57.81343 1.56701 1.83257 -58.08174 480.62498
5035.0000 -59.79694 -58.32052 1.47642 1.82578 -58.13984 487.05621
5040.0000 -58.73865 -57.13758 1.60107 1.89130 -57.57959 542.28831
5045.0000 -59.19095 -57.27106 1.91989 1.92899 -57.25735 579.50782
5050.0000 -59.09878 -57.35652 1.74227 1.93070 -57.24278 536.22152
5055.0000 -58.46087 -55.97295 2.48793 1.99511 -56.69203 633.18950
5060.0000 -58.12908 -57.06666 1.06242 2.00226 -56.63094 618.82376
5065.0000 -59.01332 -56.86925 2.14407 2.00986 -56.56595 637.68327
5070.0000 -59.36638 -56.72870 2.63768 1.95732 -57.01517 601.22407
5075.0000 -58.77715 -56.54184 2.23531 2.05849 -56.15013 725.79928
5080.0000 -59.45767 -57.36163 2.09604 1.92983 -57.25016 596.54311
5085.0000 -59.45530 -57.44687 2.00843 1.88470 -57.63606 565.64181
5090.0000 -58.96262 -57.26537 1.69725 1.94056 -57.15843 636.43028
5095.0000 -58.64062 -56.94389 1.69672 1.94470 -57.12304 591.88714
5100.0000 -59.04028 -56.56442 2.47586 1.96251 -56.97081 636.33579
5105.0000 -59.21255 -57.05181 2.16075 1.98271 -56.79808 639.08856
5110.0000 -59.31009 -57.21640 2.09369 1.92795 -57.26628 556.72558
5115.0000 -58.35976 -56.22207 2.13769 2.01731 -56.50221 662.01205
5120.0000 -59.41092 -57.39966 2.01126 1.96959 -56.91024 612.56509
5125.0000 -58.85519 -57.48284 1.37235 1.89529 -57.54552 534.81419
5130.0000 -58.60490 -56.69975 1.90515 1.93756 -57.18410 572.48241
5135.0000 -58.59553 -57.10525 1.49028 1.96876 -56.91735 628.18886
5140.0000 -59.42389 -57.46111 1.96277 1.90972 -57.42208 576.10050
5145.0000 -58.89628 -57.14751 1.74877 1.93382 -57.21609 590.97358
5150.0000 -58.98978 -57.16182 1.82796 1.91627 -57.36610 565.72255
5155.0000 -58.73453 -56.95558 1.77895 1.96500 -56.94947 635.28967
5160.0000 -58.81112 -57.01132 1.79980 1.90010 -57.50438 525.50853
5165.0000 -58.75452 -57.10550 1.64902 1.93848 -57.17624 579.16120
5170.0000 -59.08634 -56.76416 2.32218 1.93646 -57.19351 593.56481
5175.0000 -59.20131 -57.07498 2.12633 1.98507 -56.77793 634.02267
5180.0000 -59.06803 -56.53432 2.53371 1.98277 -56.79756 612.28105
5185.0000 -58.64054 -56.44448 2.19606 1.99018 -56.73417 620.07478
5190.0000 -58.75257 -56.33476 2.41782 2.04472 -56.26788 696.22338
5195.0000 -58.15724 -56.58990 1.56734 2.05549 -56.17577 695.97408
5200.0000 -58.40254 -56.18634 2.21620 2.04849 -56.23565 665.77027
5205.0000 -58.43081 -56.07720 2.35361 2.03458 -56.35459 620.13660
5210.0000 -58.83807 -56.64332 2.19475 2.01769 -56.49895 632.87537
5215.0000 -58.10518 -56.24387 1.86131 2.01386 -56.53177 648.54209
5220.0000 -58.35901 -55.69823 2.66078 2.10512 -55.75147 700.25047
5225.0000 -58.54712 -56.14250 2.40462 2.05847 -56.15035 708.34717
5230.0000 -58.91180 -57.28841 1.62339 1.96321 -56.96482 591.71541
5235.0000 -59.73575 -57.62210 2.11365 1.90597 -57.45418 535.52292
5240.0000 -59.15626 -57.61974 1.53652 1.90289 -57.48054 518.75180
5245.0000 -58.69896 -57.23659 1.46237 1.90905 -57.42788 525.19879
5250.0000 -58.38426 -56.17623 2.20804 1.98399 -56.78712 623.97192
FREEZING PROCESS: loop number 22 T-loop= 580.00000000000000
main_MD> interactions number 22 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56394 -1.06915 -0.19077
force_rgl> df(natom) -1.26585 0.54789 -0.34600
5255.0000 -58.74981 -56.78916 1.96065 2.01336 -56.53599 617.06570
5260.0000 -59.13032 -57.33803 1.79229 1.93807 -57.17976 620.66313
5265.0000 -59.51049 -57.59627 1.91422 1.88403 -57.64181 542.60960
5270.0000 -59.15308 -57.85089 1.30219 1.89647 -57.53540 560.58968
5275.0000 -59.19717 -57.10349 2.09368 1.89751 -57.52655 560.88731
5280.0000 -59.02467 -57.73239 1.29228 1.94130 -57.15211 611.48984
5285.0000 -59.37556 -57.56212 1.81344 1.87389 -57.72844 527.07286
5290.0000 -59.57478 -58.01868 1.55610 1.85866 -57.85867 526.70648
5295.0000 -59.67029 -57.88696 1.78334 1.86266 -57.82449 536.39124
5300.0000 -59.21079 -57.24004 1.97075 1.91152 -57.40677 578.09641
5305.0000 -59.37526 -57.20584 2.16942 1.93124 -57.23811 580.69384
5310.0000 -59.21610 -57.30289 1.91321 1.94277 -57.13952 575.08408
5315.0000 -59.35031 -57.60436 1.74595 1.92735 -57.27141 579.56384
5320.0000 -58.23186 -56.66630 1.56556 1.93662 -57.19213 593.82342
5325.0000 -59.25402 -57.14288 2.11113 1.96163 -56.97828 625.24855
5330.0000 -59.18224 -56.62992 2.55232 1.97442 -56.86898 612.78975
5335.0000 -58.63933 -56.74269 1.89665 1.98519 -56.77686 602.44598
5340.0000 -59.46017 -57.05199 2.40818 1.95731 -57.01522 600.82374
5345.0000 -59.24234 -57.29852 1.94382 1.91948 -57.33870 576.89504
5350.0000 -58.93118 -56.44343 2.48775 2.00647 -56.59490 650.86533
5355.0000 -59.08785 -57.29743 1.79043 1.94950 -57.08203 591.56048
5360.0000 -59.23019 -57.19702 2.03317 1.94855 -57.09011 596.46823
5365.0000 -58.91634 -57.10151 1.81483 1.89113 -57.58108 522.16455
5370.0000 -59.28524 -57.23889 2.04636 1.97951 -56.82544 650.42064
5375.0000 -59.04722 -57.03517 2.01204 1.95516 -57.03365 620.26364
5380.0000 -58.80486 -57.19449 1.61037 1.91910 -57.34196 556.89601
5385.0000 -58.70030 -57.13788 1.56242 1.91501 -57.37690 585.36490
5390.0000 -59.11466 -57.09505 2.01961 1.93541 -57.20248 619.11718
5395.0000 -59.26020 -56.58834 2.67185 1.93881 -57.17342 611.68418
5400.0000 -58.81213 -57.26088 1.55126 1.99136 -56.72415 674.19663
5405.0000 -59.09695 -57.17449 1.92247 1.91598 -57.36864 581.18190
5410.0000 -59.66913 -58.02559 1.64354 1.88551 -57.62908 568.87968
5415.0000 -59.36134 -57.51098 1.85036 1.87701 -57.70176 558.28929
5420.0000 -59.52503 -58.00352 1.52151 1.87530 -57.71640 540.24661
5425.0000 -59.52601 -57.73754 1.78847 1.87275 -57.73821 558.40222
5430.0000 -59.25978 -57.58448 1.67529 1.87012 -57.76073 546.53954
5435.0000 -59.79919 -57.66340 2.13579 1.89790 -57.52318 578.11715
5440.0000 -59.39044 -57.75071 1.63974 1.90304 -57.47927 569.59263
5445.0000 -59.25660 -57.06662 2.18998 1.91546 -57.37304 573.06046
5450.0000 -58.09417 -56.44860 1.64556 1.95414 -57.04238 589.94196
5455.0000 -58.36933 -56.73205 1.63727 1.99838 -56.66410 623.01806
5460.0000 -58.74479 -57.14184 1.60294 1.95658 -57.02147 585.60498
5465.0000 -59.16132 -56.92955 2.23177 1.93950 -57.16755 584.70449
5470.0000 -59.17060 -57.52637 1.64423 1.92429 -57.29751 579.76836
5475.0000 -59.32270 -57.28059 2.04211 1.89249 -57.56942 555.74694
5480.0000 -59.27127 -57.40784 1.86343 1.88895 -57.59972 551.22656
5485.0000 -59.13467 -56.94335 2.19132 1.94075 -57.15684 597.79908
5490.0000 -59.37188 -57.06190 2.30998 1.94696 -57.10373 619.34638
5495.0000 -59.00921 -56.78739 2.22182 1.97574 -56.85765 649.17255
5500.0000 -58.71580 -56.82827 1.88753 1.98076 -56.81477 675.94625
FREEZING PROCESS: loop number 23 T-loop= 555.00000000000000
main_MD> interactions number 23 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.96569 -2.17288 1.53945
force_rgl> df(natom) 0.06304 1.23126 -0.45708
5505.0000 -59.34281 -57.56509 1.77772 1.95601 -57.02632 644.17973
5510.0000 -59.82463 -58.41754 1.40709 1.83624 -58.05039 495.43308
5515.0000 -59.44197 -57.44970 1.99226 1.85006 -57.93225 500.37134
5520.0000 -59.76837 -57.95993 1.80845 1.86260 -57.82502 550.13138
5525.0000 -59.63989 -57.74525 1.89463 1.87719 -57.70025 562.25053
5530.0000 -59.68907 -57.81552 1.87355 1.87244 -57.74084 535.19469
5535.0000 -59.17138 -57.34293 1.82845 1.88366 -57.64495 518.95370
5540.0000 -59.18265 -57.47578 1.70687 1.92251 -57.31276 579.29565
5545.0000 -59.91974 -58.59805 1.32168 1.82668 -58.13214 516.04384
5550.0000 -59.48511 -57.97454 1.51056 1.81263 -58.25226 473.15379
5555.0000 -58.99093 -57.12023 1.87071 1.92013 -57.33310 572.77248
5560.0000 -59.24171 -57.46793 1.77379 1.95037 -57.07460 610.22650
5565.0000 -59.16249 -57.19742 1.96506 1.92233 -57.31434 595.30223
5570.0000 -59.31320 -57.93875 1.37444 1.89639 -57.53612 558.77547
5575.0000 -59.42773 -57.48575 1.94198 1.88019 -57.67461 502.49194
5580.0000 -59.13409 -57.24742 1.88667 1.91347 -57.39005 559.93030
5585.0000 -58.99617 -57.60339 1.39278 1.89368 -57.55924 500.33205
5590.0000 -59.33322 -56.97183 2.36139 1.91134 -57.40828 479.38705
5595.0000 -58.95580 -57.10802 1.84778 1.99036 -56.73268 647.89044
5600.0000 -58.96771 -57.22628 1.74143 1.91735 -57.35688 569.95920
5605.0000 -58.77477 -57.04140 1.73336 1.94835 -57.09183 615.46891
5610.0000 -58.97179 -57.58083 1.39096 1.90124 -57.49460 534.95965
5615.0000 -58.74835 -57.11608 1.63227 1.95604 -57.02612 597.65841
5620.0000 -59.09471 -57.41576 1.67894 1.88840 -57.60437 521.91130
5625.0000 -59.62555 -57.97209 1.65346 1.86546 -57.80056 529.05831
5630.0000 -59.82846 -57.93048 1.89798 1.83710 -58.04302 499.75022
5635.0000 -59.05940 -57.44978 1.60961 1.86633 -57.79314 536.01137
5640.0000 -58.23807 -55.84358 2.39449 1.99978 -56.65213 649.27926
5645.0000 -57.85645 -56.04068 1.81577 2.07399 -56.01766 696.95949
5650.0000 -58.46079 -56.66918 1.79161 2.04098 -56.29987 669.73137
5655.0000 -59.05093 -57.64886 1.40207 1.93865 -57.17478 577.46395
5660.0000 -59.14380 -57.30519 1.83861 1.90899 -57.42832 539.97586
5665.0000 -59.25038 -57.18943 2.06095 1.95688 -57.01894 609.98433
5670.0000 -59.36777 -57.41134 1.95643 1.93131 -57.23753 572.92289
5675.0000 -59.53687 -57.27917 2.25770 1.91055 -57.41505 536.12082
5680.0000 -58.76464 -57.41122 1.35342 1.88299 -57.65065 531.97378
5685.0000 -59.45321 -57.86888 1.58433 1.87590 -57.71131 521.76150
5690.0000 -59.62289 -57.92419 1.69870 1.84005 -58.01782 495.44942
5695.0000 -59.01756 -57.85985 1.15772 1.85998 -57.84740 518.11175
5700.0000 -59.41312 -57.31223 2.10088 1.91129 -57.40873 513.55414
5705.0000 -59.77530 -57.76036 2.01494 1.88169 -57.66174 557.73625
5710.0000 -58.83563 -56.28026 2.55538 1.92301 -57.30853 586.02268
5715.0000 -58.37539 -56.99409 1.38130 2.01914 -56.48662 674.12707
5720.0000 -59.25404 -57.57631 1.67774 1.94030 -57.16067 607.72176
5725.0000 -59.48005 -57.89677 1.58328 1.88972 -57.59316 543.83902
5730.0000 -58.89026 -56.88512 2.00514 1.89904 -57.51344 565.05530
5735.0000 -59.26281 -57.41907 1.84375 1.99784 -56.66868 677.74099
5740.0000 -59.80488 -58.09931 1.70557 1.84490 -57.97637 513.47210
5745.0000 -58.96512 -57.67021 1.29491 1.84084 -58.01104 502.35371
5750.0000 -59.22982 -57.54623 1.68359 1.89903 -57.51356 560.08083
FREEZING PROCESS: loop number 24 T-loop= 530.00000000000000
main_MD> interactions number 24 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.99541 0.57098 0.43863
force_rgl> df(natom) 1.47162 1.06723 2.29596
5755.0000 -59.22818 -57.72819 1.49999 1.89744 -57.52711 546.28661
5760.0000 -59.68255 -58.36202 1.32053 1.88056 -57.67146 503.71766
5765.0000 -59.40865 -57.59374 1.81490 1.83128 -58.09276 483.29702
5770.0000 -59.37041 -58.36146 1.00895 1.86088 -57.83966 524.83104
5775.0000 -59.89969 -58.59126 1.30843 1.77513 -58.57284 418.03744
5780.0000 -59.80237 -57.82328 1.97909 1.85405 -57.89813 515.95214
5785.0000 -59.78720 -58.10474 1.68246 1.83574 -58.05463 496.74965
5790.0000 -59.80395 -58.31987 1.48409 1.84171 -58.00356 492.37689
5795.0000 -59.68368 -58.43420 1.24949 1.79769 -58.37995 463.18566
5800.0000 -59.60560 -58.26152 1.34408 1.75894 -58.71130 384.85372
5805.0000 -59.78964 -58.45855 1.33109 1.80079 -58.35349 457.88897
5810.0000 -59.52096 -57.83796 1.68301 1.81417 -58.23905 470.35632
5815.0000 -59.72800 -58.26815 1.45985 1.80154 -58.34704 457.07514
5820.0000 -59.08929 -57.72546 1.36383 1.85647 -57.87741 508.01619
5825.0000 -59.39069 -57.94871 1.44198 1.86212 -57.82913 489.75131
5830.0000 -59.61790 -57.59074 2.02716 1.87597 -57.71065 534.46463
5835.0000 -59.80502 -58.31375 1.49127 1.83154 -58.09053 498.42132
5840.0000 -59.56291 -57.65703 1.90587 1.80523 -58.31551 461.66458
5845.0000 -59.78100 -58.26161 1.51940 1.86969 -57.76441 547.87709
5850.0000 -60.11983 -58.47649 1.64333 1.80579 -58.31070 463.85269
5855.0000 -59.40734 -57.64107 1.76627 1.82951 -58.10790 484.74808
5860.0000 -59.64004 -57.77988 1.86016 1.87700 -57.70186 517.07925
5865.0000 -59.20677 -57.54530 1.66147 1.89845 -57.51852 520.14410
5870.0000 -58.96376 -57.14862 1.81514 1.91963 -57.33741 553.18981
5875.0000 -59.35547 -57.45001 1.90546 1.90774 -57.43907 560.63511
5880.0000 -59.35554 -57.88487 1.47067 1.89544 -57.54420 527.60535
5885.0000 -59.24647 -57.37393 1.87254 1.88660 -57.61977 531.66505
5890.0000 -58.70225 -57.28247 1.41977 1.92644 -57.27919 566.50291
5895.0000 -59.11600 -57.51643 1.59957 1.91437 -57.38240 522.68206
5900.0000 -58.97877 -56.87744 2.10133 1.94094 -57.15522 601.98647
5905.0000 -59.61392 -57.58758 2.02634 1.91560 -57.37185 570.13887
5910.0000 -59.37103 -57.75022 1.62080 1.89645 -57.53558 552.02125
5915.0000 -59.39524 -58.03705 1.35819 1.82417 -58.15356 475.10008
5920.0000 -59.80754 -58.24071 1.56682 1.79936 -58.36565 429.79975
5925.0000 -59.55699 -58.08272 1.47427 1.80843 -58.28812 455.83832
5930.0000 -59.45058 -57.82414 1.62644 1.84159 -58.00465 500.40546
5935.0000 -59.08937 -57.04154 2.04783 1.96984 -56.90811 641.57927
5940.0000 -59.38572 -57.41497 1.97074 1.96361 -56.96133 589.45237
5945.0000 -59.12733 -57.56148 1.56585 1.87649 -57.70627 507.50313
5950.0000 -59.27950 -57.39254 1.88696 1.87240 -57.74119 512.91830
5955.0000 -59.54112 -57.64921 1.89191 1.90659 -57.44888 539.14934
5960.0000 -59.55015 -57.83402 1.71612 1.82441 -58.15147 468.32948
5965.0000 -59.46535 -57.54959 1.91576 1.88054 -57.67158 542.58885
5970.0000 -59.18009 -57.33594 1.84415 1.87833 -57.69049 522.07181
5975.0000 -59.12380 -57.51291 1.61089 1.95629 -57.02398 602.44597
5980.0000 -59.18969 -56.65025 2.53944 1.94718 -57.10183 589.58682
5985.0000 -58.81791 -56.98270 1.83522 1.97056 -56.90197 637.00952
5990.0000 -59.48649 -57.57073 1.91576 1.93699 -57.18895 576.06453
5995.0000 -59.51569 -57.21236 2.30333 1.93233 -57.22879 567.64735
6000.0000 -59.31171 -57.61696 1.69475 1.91079 -57.41299 546.76015
FREEZING PROCESS: loop number 25 T-loop= 505.00000000000000
main_MD> interactions number 25 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08845 1.28908 2.20158
force_rgl> df(natom) -1.51498 -0.28288 -2.82125
6005.0000 -59.13906 -57.77732 1.36174 1.89713 -57.52979 520.34098
6010.0000 -59.25151 -57.78348 1.46803 1.85706 -57.87240 432.85492
6015.0000 -58.65437 -57.20918 1.44519 1.90534 -57.45957 515.81561
6020.0000 -59.00207 -56.95235 2.04972 1.92607 -57.28237 542.03546
6025.0000 -59.17720 -57.30369 1.87351 1.97423 -56.87054 621.23760
6030.0000 -59.58740 -57.47595 2.11145 1.89114 -57.58101 546.88227
6035.0000 -59.13318 -57.36613 1.76704 1.90165 -57.49109 569.08381
6040.0000 -59.16946 -57.74970 1.41976 1.91462 -57.38027 551.84589
6045.0000 -59.62135 -58.26092 1.36043 1.82960 -58.10717 466.29846
6050.0000 -59.89228 -58.24433 1.64795 1.80471 -58.31996 432.54067
6055.0000 -59.75421 -58.10354 1.65067 1.81696 -58.21521 449.40123
6060.0000 -59.70856 -58.33752 1.37104 1.80105 -58.35120 442.38220
6065.0000 -59.71592 -58.36568 1.35024 1.78840 -58.45939 413.08117
6070.0000 -59.54466 -58.21273 1.33193 1.80876 -58.28530 458.91216
6075.0000 -59.40145 -58.08142 1.32003 1.81930 -58.19523 445.17203
6080.0000 -59.56824 -58.46183 1.10641 1.82754 -58.12473 437.13425
6085.0000 -59.21869 -57.87040 1.34829 1.81715 -58.21356 413.30102
6090.0000 -58.73119 -57.60411 1.12707 1.84812 -57.94880 481.05562
6095.0000 -59.79719 -58.42464 1.37255 1.83968 -58.02095 466.95647
6100.0000 -59.58525 -58.37033 1.21492 1.74617 -58.82042 381.53177
6105.0000 -59.02969 -57.59733 1.43236 1.80980 -58.27642 443.80516
6110.0000 -59.20011 -57.41430 1.78581 1.89895 -57.51423 533.69033
6115.0000 -59.24805 -57.55358 1.69447 1.91630 -57.36588 550.23177
6120.0000 -59.10785 -57.71829 1.38956 1.85607 -57.88085 445.67865
6125.0000 -58.88183 -57.15770 1.72413 1.92091 -57.32643 570.10101
6130.0000 -58.90271 -57.22599 1.67672 1.90770 -57.43938 520.80405
6135.0000 -58.71760 -56.73758 1.98002 1.93091 -57.24097 541.99169
6140.0000 -59.31607 -57.45565 1.86042 1.97741 -56.84341 607.78184
6145.0000 -59.59008 -57.90609 1.68400 1.86834 -57.77591 538.68927
6150.0000 -59.76227 -57.98278 1.77948 1.82461 -58.14981 492.24258
6155.0000 -59.56568 -57.98888 1.57680 1.85051 -57.92832 512.82151
6160.0000 -59.43529 -57.91020 1.52509 1.84431 -57.98135 484.91844
6165.0000 -59.71345 -57.44637 2.26708 1.84688 -57.95944 498.39418
6170.0000 -59.67590 -57.52001 2.15589 1.91577 -57.37041 583.87001
6175.0000 -59.24011 -57.88650 1.35361 1.91722 -57.35802 601.44584
6180.0000 -59.25942 -57.14474 2.11468 1.87625 -57.70831 563.76425
6185.0000 -59.65518 -58.21723 1.43795 1.89342 -57.56145 582.17366
6190.0000 -59.89725 -58.11480 1.78245 1.81421 -58.23872 460.97865
6195.0000 -59.86846 -57.95387 1.91459 1.84250 -57.99681 502.80346
6200.0000 -59.49835 -57.50941 1.98894 1.89019 -57.58912 558.61463
6205.0000 -59.54020 -57.96383 1.57637 1.85463 -57.89315 498.33678
6210.0000 -59.61956 -57.54194 2.07762 1.85437 -57.89539 489.44515
6215.0000 -59.69566 -58.16849 1.52717 1.86154 -57.83408 526.60634
6220.0000 -59.72444 -58.24327 1.48118 1.79020 -58.44402 426.02204
6225.0000 -59.92652 -58.45846 1.46806 1.80570 -58.31146 475.99218
6230.0000 -60.30060 -58.44981 1.85080 1.78749 -58.46719 442.81646
6235.0000 -59.87281 -58.20401 1.66880 1.79415 -58.41020 426.11524
6240.0000 -59.32348 -57.34342 1.98005 1.86040 -57.84384 538.63748
6245.0000 -59.07066 -57.36820 1.70247 1.92068 -57.32843 540.82752
6250.0000 -59.03492 -57.48561 1.54931 1.89609 -57.53869 567.05965
FREEZING PROCESS: loop number 26 T-loop= 480.00000000000000
main_MD> interactions number 26 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76263 -1.27829 0.76003
force_rgl> df(natom) -0.95672 -0.38875 0.64633
6255.0000 -59.68906 -57.70670 1.98236 1.87274 -57.73827 537.83791
6260.0000 -59.11984 -57.79638 1.32346 1.87037 -57.75857 565.58359
6265.0000 -59.66517 -58.46861 1.19656 1.78482 -58.49001 431.06621
6270.0000 -60.20081 -58.84499 1.35581 1.74673 -58.81564 392.57855
6275.0000 -59.93865 -58.54824 1.39040 1.75696 -58.72820 395.85187
6280.0000 -59.77202 -58.38862 1.38340 1.79754 -58.38127 459.13815
6285.0000 -59.51310 -58.05936 1.45374 1.81462 -58.23525 464.54261
6290.0000 -59.59656 -57.99180 1.60476 1.86348 -57.81745 507.55066
6295.0000 -59.78066 -58.12537 1.65529 1.85786 -57.86555 517.26192
6300.0000 -59.52387 -57.99613 1.52774 1.84160 -58.00451 498.51796
6305.0000 -59.84448 -58.25617 1.58832 1.83267 -58.08090 506.65966
6310.0000 -59.80013 -58.53324 1.26689 1.78843 -58.45915 441.24208
6315.0000 -60.10403 -58.66890 1.43513 1.75861 -58.71409 411.95093
6320.0000 -59.49133 -57.97459 1.51674 1.81136 -58.26309 473.74514
6325.0000 -59.74933 -58.21839 1.53094 1.80967 -58.27756 486.57240
6330.0000 -59.69938 -57.84858 1.85080 1.82426 -58.15284 476.00482
6335.0000 -59.95418 -58.55049 1.40370 1.83963 -58.02135 501.49056
6340.0000 -60.03216 -58.57782 1.45434 1.80052 -58.35575 460.56074
6345.0000 -59.24717 -57.07194 2.17523 1.87441 -57.72403 540.30814
6350.0000 -59.50731 -58.01497 1.49233 1.87823 -57.69137 532.38667
6355.0000 -60.17053 -58.41159 1.75894 1.81176 -58.25963 478.19803
6360.0000 -60.02025 -58.34528 1.67497 1.82763 -58.12399 491.92500
6365.0000 -58.58838 -57.26344 1.32494 1.87636 -57.70739 487.74358
6370.0000 -59.00767 -57.47514 1.53253 1.88100 -57.66765 511.43610
6375.0000 -59.32018 -57.42341 1.89676 1.89743 -57.52724 531.76226
6380.0000 -58.62761 -57.34320 1.28441 1.94231 -57.14345 554.91725
6385.0000 -59.92250 -58.59461 1.32789 1.81920 -58.19610 429.72083
6390.0000 -60.25766 -58.79213 1.46553 1.75945 -58.70688 416.08769
6395.0000 -59.94224 -58.08196 1.86028 1.75712 -58.72684 413.10142
6400.0000 -59.68154 -58.34481 1.33673 1.79742 -58.38229 468.33231
6405.0000 -60.19259 -58.84820 1.34438 1.77376 -58.58455 425.09649
6410.0000 -59.94286 -58.58904 1.35381 1.77876 -58.54178 415.67573
6415.0000 -59.75122 -58.60680 1.14442 1.78910 -58.45341 448.82815
6420.0000 -59.86501 -58.47542 1.38959 1.79229 -58.42610 452.00752
6425.0000 -60.28873 -58.34839 1.94034 1.78618 -58.47838 445.45207
6430.0000 -60.10688 -58.60533 1.50154 1.79773 -58.37959 467.61003
6435.0000 -59.69082 -58.38593 1.30489 1.78449 -58.49285 442.50244
6440.0000 -59.85370 -58.69798 1.15573 1.77091 -58.60889 419.85387
6445.0000 -59.97597 -57.92479 2.05118 1.78496 -58.48881 447.76858
6450.0000 -59.27808 -57.80590 1.47218 1.83407 -58.06893 504.59001
6455.0000 -59.83923 -58.50030 1.33894 1.80664 -58.30343 459.60397
6460.0000 -59.86727 -58.32151 1.54576 1.79429 -58.40901 438.71093
6465.0000 -59.38920 -57.84045 1.54876 1.82892 -58.11295 485.28921
6470.0000 -60.25067 -58.53995 1.71072 1.82297 -58.16382 483.83946
6475.0000 -59.92581 -58.45775 1.46807 1.79622 -58.39257 439.66259
6480.0000 -60.13902 -58.16782 1.97120 1.81963 -58.19241 484.56610
6485.0000 -59.61035 -57.65593 1.95442 1.83971 -58.02066 515.54851
6490.0000 -60.14024 -58.58640 1.55384 1.82070 -58.18322 484.31771
6495.0000 -59.49135 -58.25423 1.23712 1.77977 -58.53318 418.91725
6500.0000 -59.64371 -57.95304 1.69067 1.83866 -58.02969 517.70660
FREEZING PROCESS: loop number 27 T-loop= 455.00000000000000
main_MD> interactions number 27 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61252 -3.08133 1.71030
force_rgl> df(natom) 0.56560 -0.46630 0.25159
6505.0000 -59.60922 -58.18219 1.42704 1.84556 -57.97069 510.38357
6510.0000 -60.22798 -59.16746 1.06053 1.78065 -58.52566 434.96711
6515.0000 -60.00220 -58.57234 1.42986 1.73883 -58.88322 384.84966
6520.0000 -59.63756 -58.15548 1.48209 1.78544 -58.48473 448.04106
6525.0000 -60.01574 -58.20304 1.81270 1.84952 -57.93682 515.75898
6530.0000 -59.89590 -58.32515 1.57074 1.78135 -58.51966 431.52308
6535.0000 -59.79946 -58.24891 1.55055 1.78153 -58.51812 435.24845
6540.0000 -59.97767 -58.20641 1.77126 1.83523 -58.05904 496.53507
6545.0000 -59.73290 -58.47824 1.25466 1.77432 -58.57976 423.05714
6550.0000 -60.13555 -59.07342 1.06214 1.74633 -58.81907 375.60155
6555.0000 -59.98010 -58.84951 1.13059 1.72889 -58.96824 391.08364
6560.0000 -59.85356 -58.48929 1.36428 1.74839 -58.80145 400.45865
6565.0000 -60.12274 -59.16723 0.95551 1.75292 -58.76275 383.29014
6570.0000 -60.11334 -58.48162 1.63172 1.75636 -58.73333 403.86822
6575.0000 -59.75182 -58.28027 1.47154 1.81848 -58.20223 465.93520
6580.0000 -59.65366 -57.99339 1.66028 1.82159 -58.17562 485.89924
6585.0000 -60.12243 -58.71274 1.40969 1.80837 -58.28870 461.18435
6590.0000 -60.04643 -59.07455 0.97188 1.75038 -58.78442 379.42036
6595.0000 -59.76374 -58.37383 1.38991 1.76924 -58.62318 424.73842
6600.0000 -59.72517 -58.38359 1.34158 1.81924 -58.19570 467.15080
6605.0000 -59.69568 -58.15928 1.53639 1.81625 -58.22131 465.04407
6610.0000 -59.56496 -57.60324 1.96172 1.86032 -57.84451 525.30439
6615.0000 -59.83562 -58.10993 1.72570 1.80629 -58.30645 471.65325
6620.0000 -59.61999 -57.83588 1.78411 1.82705 -58.12893 492.73927
6625.0000 -59.07164 -57.57506 1.49658 1.86357 -57.81674 529.16334
6630.0000 -59.46292 -58.02322 1.43970 1.85925 -57.85364 516.20285
6635.0000 -59.61086 -58.22857 1.38229 1.81065 -58.26918 447.92624
6640.0000 -60.05011 -59.05890 0.99121 1.76617 -58.64950 387.39846
6645.0000 -59.99365 -58.71861 1.27505 1.75576 -58.73845 390.86758
6650.0000 -60.38581 -58.72105 1.66476 1.75268 -58.76483 391.03203
6655.0000 -59.89159 -58.48415 1.40744 1.76866 -58.62817 415.76237
6660.0000 -59.87928 -58.52808 1.35120 1.77167 -58.60242 418.41070
6665.0000 -60.08123 -58.24911 1.83212 1.78810 -58.46194 443.29412
6670.0000 -60.09692 -58.30923 1.78769 1.80502 -58.31726 481.96774
6675.0000 -60.08991 -58.21807 1.87184 1.81674 -58.21711 475.11728
6680.0000 -60.09681 -58.59301 1.50379 1.78065 -58.52568 438.99436
6685.0000 -59.50247 -58.39076 1.11171 1.78841 -58.45934 449.73472
6690.0000 -59.58757 -57.86468 1.72289 1.77955 -58.53502 433.47513
6695.0000 -59.96942 -58.27194 1.69748 1.80231 -58.34047 454.42355
6700.0000 -60.28685 -58.71423 1.57262 1.78362 -58.50027 417.98608
6705.0000 -59.62834 -58.33872 1.28962 1.79739 -58.38251 472.06815
6710.0000 -59.82375 -58.05569 1.76806 1.82891 -58.11302 496.17271
6715.0000 -60.11226 -57.92119 2.19107 1.85794 -57.86483 542.94749
6720.0000 -59.45554 -57.89720 1.55834 1.87677 -57.70387 559.80739
6725.0000 -59.59827 -58.18395 1.41432 1.81329 -58.24663 476.37212
6730.0000 -60.05947 -58.40222 1.65725 1.79883 -58.37024 441.94059
6735.0000 -59.71295 -58.48519 1.22776 1.79123 -58.43522 449.73105
6740.0000 -59.59275 -58.31449 1.27826 1.81453 -58.23599 474.99206
6745.0000 -60.21536 -58.42794 1.78742 1.79431 -58.40886 460.45380
6750.0000 -59.26466 -57.58256 1.68210 1.83207 -58.08599 497.62702
FREEZING PROCESS: loop number 28 T-loop= 430.00000000000000
main_MD> interactions number 28 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.17786 -3.11525 3.14442
force_rgl> df(natom) -0.39468 -0.19755 -0.24154
6755.0000 -59.82896 -58.45788 1.37109 1.85036 -57.92967 517.22026
6760.0000 -59.83267 -58.39343 1.43923 1.78752 -58.46693 440.06929
6765.0000 -59.76821 -58.61930 1.14891 1.78953 -58.44977 455.12342
6770.0000 -60.28464 -58.99303 1.29161 1.75808 -58.71866 411.04147
6775.0000 -60.09510 -58.64486 1.45024 1.74855 -58.80014 416.52121
6780.0000 -59.44356 -58.33741 1.10614 1.76352 -58.67210 424.27408
6785.0000 -59.91839 -58.69035 1.22805 1.77163 -58.60276 403.14437
6790.0000 -59.78109 -58.41833 1.36275 1.77223 -58.59769 411.62179
6795.0000 -59.73066 -58.76892 0.96173 1.75246 -58.76666 383.41301
6800.0000 -60.04445 -58.72037 1.32408 1.74627 -58.81957 397.21821
6805.0000 -59.74053 -58.61981 1.12073 1.76920 -58.62354 414.69517
6810.0000 -60.14449 -59.05453 1.08996 1.74524 -58.82844 397.33387
6815.0000 -60.21137 -58.95032 1.26105 1.72824 -58.97372 382.94670
6820.0000 -60.12375 -59.01050 1.11324 1.74464 -58.83355 385.35260
6825.0000 -60.27681 -58.75687 1.51994 1.73229 -58.93917 362.03301
6830.0000 -60.04212 -58.71749 1.32464 1.73440 -58.92108 400.47464
6835.0000 -59.68607 -58.13191 1.55416 1.78800 -58.46285 428.24188
6840.0000 -60.07607 -58.68984 1.38623 1.78062 -58.52590 444.19761
6845.0000 -59.07668 -57.51127 1.56541 1.82420 -58.15332 463.95113
6850.0000 -59.62983 -58.07658 1.55325 1.84314 -57.99134 467.60904
6855.0000 -60.20993 -58.79686 1.41306 1.80186 -58.34435 460.69530
6860.0000 -59.98552 -58.68032 1.30520 1.74430 -58.83641 393.97089
6865.0000 -60.04688 -58.79511 1.25178 1.74604 -58.82157 399.07781
6870.0000 -59.99350 -58.81645 1.17705 1.75330 -58.75950 425.47523
6875.0000 -59.88103 -58.51148 1.36955 1.74697 -58.81361 393.09804
6880.0000 -59.76409 -58.78426 0.97982 1.75559 -58.73992 395.83853
6885.0000 -60.01437 -58.49132 1.52305 1.78992 -58.44642 420.07224
6890.0000 -59.91348 -58.21284 1.70064 1.77438 -58.57926 427.38218
6895.0000 -59.71299 -58.13466 1.57833 1.82111 -58.17976 475.60894
6900.0000 -59.91126 -58.54209 1.36917 1.78705 -58.47095 436.89581
6905.0000 -60.12186 -58.63729 1.48457 1.81079 -58.26798 463.88246
6910.0000 -60.20645 -58.90032 1.30613 1.77275 -58.59323 429.07322
6915.0000 -59.92598 -58.24555 1.68042 1.77238 -58.59638 422.58182
6920.0000 -59.65607 -58.15575 1.50032 1.80378 -58.32790 453.26407
6925.0000 -60.10168 -58.50137 1.60031 1.79910 -58.36794 445.38175
6930.0000 -60.24449 -58.42845 1.81604 1.77949 -58.53556 447.64028
6935.0000 -60.04982 -58.53402 1.51580 1.78697 -58.47158 446.08179
6940.0000 -59.65251 -58.07985 1.57266 1.80328 -58.33218 452.25502
6945.0000 -59.55374 -58.40871 1.14503 1.82076 -58.18276 453.51655
6950.0000 -60.27338 -58.67588 1.59749 1.77987 -58.53235 429.33995
6955.0000 -60.12786 -58.12982 1.99804 1.79877 -58.37072 467.09848
6960.0000 -59.75771 -58.27253 1.48518 1.81143 -58.26252 466.05896
6965.0000 -60.08773 -58.24146 1.84627 1.84346 -57.98862 515.77989
6970.0000 -59.76756 -58.22545 1.54212 1.78921 -58.45246 448.21615
6975.0000 -59.98815 -58.81905 1.16910 1.79267 -58.42293 438.43192
6980.0000 -59.89420 -58.54412 1.35009 1.77464 -58.57703 431.22497
6985.0000 -59.83909 -58.54712 1.29197 1.76962 -58.61994 406.69097
6990.0000 -59.78604 -58.28983 1.49620 1.79400 -58.41147 441.79970
6995.0000 -60.24662 -58.57990 1.66671 1.78488 -58.48951 446.63206
7000.0000 -59.96320 -58.77880 1.18440 1.76302 -58.67637 412.21633
FREEZING PROCESS: loop number 29 T-loop= 405.00000000000000
main_MD> interactions number 29 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.32865 2.90561 -2.62418
force_rgl> df(natom) 2.23320 -2.13344 -0.43502
7005.0000 -60.01532 -58.62705 1.38827 1.75054 -58.78312 409.29433
7010.0000 -59.83707 -58.55490 1.28217 1.76993 -58.61731 429.35986
7015.0000 -60.27962 -58.89581 1.38381 1.76097 -58.69395 425.24363
7020.0000 -60.02973 -58.59753 1.43219 1.77900 -58.53978 442.75753
7025.0000 -60.14124 -59.13780 1.00344 1.72639 -58.98961 363.76039
7030.0000 -60.10248 -58.90431 1.19817 1.72485 -59.00270 368.12137
7035.0000 -60.05291 -58.85561 1.19731 1.73329 -58.93061 369.14731
7040.0000 -60.04991 -58.82799 1.22193 1.74106 -58.86419 392.67766
7045.0000 -60.05994 -59.15589 0.90406 1.71307 -59.10348 361.71037
7050.0000 -59.72513 -58.58789 1.13725 1.75955 -58.70609 410.25117
7055.0000 -59.77137 -58.18032 1.59105 1.77663 -58.56004 432.10120
7060.0000 -60.28666 -58.68923 1.59743 1.78436 -58.49397 460.70542
7065.0000 -59.67094 -58.34669 1.32425 1.78452 -58.49261 446.47574
7070.0000 -59.89756 -58.36278 1.53478 1.79255 -58.42392 451.29604
7075.0000 -59.63940 -58.33640 1.30301 1.79670 -58.38845 446.99317
7080.0000 -60.07416 -58.66166 1.41250 1.76923 -58.62330 399.62871
7085.0000 -59.79291 -58.67005 1.12286 1.77004 -58.61635 420.29739
7090.0000 -59.77313 -58.51880 1.25433 1.77452 -58.57809 435.66911
7095.0000 -60.19333 -58.67526 1.51807 1.74514 -58.82926 388.20947
7100.0000 -60.32479 -59.16239 1.16240 1.73059 -58.95362 380.09810
7105.0000 -60.34928 -59.23470 1.11458 1.68168 -59.37188 299.45373
7110.0000 -60.32958 -58.96946 1.36012 1.70269 -59.19222 335.70029
7115.0000 -60.15340 -58.98174 1.17166 1.73423 -58.92256 379.97902
7120.0000 -60.05505 -58.82825 1.22681 1.72578 -58.99479 370.79428
7125.0000 -60.24139 -58.74396 1.49743 1.72004 -59.04383 366.34326
7130.0000 -60.05664 -58.65280 1.40384 1.77800 -58.54833 435.07328
7135.0000 -60.48225 -59.35641 1.12584 1.72364 -59.01307 373.97910
7140.0000 -60.18705 -58.83961 1.34745 1.70972 -59.13207 360.46262
7145.0000 -59.94285 -58.64527 1.29757 1.75523 -58.74298 412.23422
7150.0000 -60.07764 -58.79228 1.28536 1.77465 -58.57691 408.05705
7155.0000 -59.88262 -58.45294 1.42967 1.79301 -58.42001 408.93950
7160.0000 -59.73955 -58.03392 1.70562 1.78413 -58.49593 417.86713
7165.0000 -59.80467 -58.50225 1.30242 1.82812 -58.11979 475.52232
7170.0000 -60.01034 -58.94119 1.06915 1.78829 -58.46035 416.02542
7175.0000 -60.10906 -58.88096 1.22810 1.71296 -59.10438 330.63571
7180.0000 -59.84619 -58.75471 1.09148 1.74364 -58.84211 363.01093
7185.0000 -59.42088 -58.42204 0.99884 1.78328 -58.50315 397.68467
7190.0000 -59.70357 -58.31864 1.38493 1.78312 -58.50451 398.56597
7195.0000 -59.97716 -58.69778 1.27938 1.75649 -58.73222 353.61750
7200.0000 -60.03160 -58.29524 1.73636 1.77539 -58.57060 445.19716
7205.0000 -59.83912 -58.23022 1.60890 1.82181 -58.17372 478.28483
7210.0000 -59.83881 -58.49991 1.33889 1.80217 -58.34166 460.39497
7215.0000 -60.44498 -59.16204 1.28294 1.73556 -58.91116 381.01786
7220.0000 -59.91590 -58.53368 1.38221 1.74342 -58.84398 390.21002
7225.0000 -60.20676 -58.92286 1.28390 1.73633 -58.90456 364.64880
7230.0000 -60.13850 -58.56544 1.57306 1.76562 -58.65417 414.27634
7235.0000 -59.97375 -58.88126 1.09250 1.77479 -58.57576 438.66766
7240.0000 -60.26264 -59.12895 1.13369 1.73743 -58.89520 378.72269
7245.0000 -60.27918 -59.04159 1.23759 1.74358 -58.84261 383.01410
7250.0000 -60.13713 -58.84206 1.29507 1.72170 -59.02970 361.78765
FREEZING PROCESS: loop number 30 T-loop= 380.00000000000000
main_MD> interactions number 30 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72285 -3.22686 0.28243
force_rgl> df(natom) -0.15586 -0.76064 -1.12640
7255.0000 -60.11297 -58.97541 1.13756 1.72071 -59.03813 369.56611
7260.0000 -60.39327 -59.43943 0.95383 1.70917 -59.13684 340.91693
7265.0000 -60.24396 -59.20819 1.03577 1.69976 -59.21722 321.07820
7270.0000 -60.05000 -58.71814 1.33186 1.72975 -58.96082 366.87786
7275.0000 -60.33904 -59.35437 0.98467 1.72256 -59.02233 352.71104
7280.0000 -60.33421 -59.33681 0.99741 1.68011 -59.38523 306.20086
7285.0000 -59.77792 -58.26561 1.51231 1.77263 -58.59427 425.01964
7290.0000 -59.89337 -58.77634 1.11703 1.76828 -58.63138 424.88755
7295.0000 -59.85649 -58.74542 1.11108 1.77230 -58.59706 428.77429
7300.0000 -60.02476 -58.65304 1.37172 1.76106 -58.69319 398.32061
7305.0000 -59.84052 -58.17676 1.66376 1.79528 -58.40057 437.67315
7310.0000 -60.62180 -59.33479 1.28701 1.75177 -58.77261 408.12992
7315.0000 -59.88246 -58.46365 1.41881 1.73751 -58.89452 394.70366
7320.0000 -59.78775 -58.59977 1.18798 1.78866 -58.45719 443.82952
7325.0000 -60.28002 -59.01758 1.26245 1.76068 -58.69637 418.00584
7330.0000 -59.68929 -58.49139 1.19790 1.74901 -58.79616 404.43709
7335.0000 -60.01349 -58.80102 1.21247 1.72869 -58.96993 358.47747
7340.0000 -60.53489 -59.33014 1.20476 1.72459 -59.00495 361.90145
7345.0000 -60.23755 -59.06232 1.17523 1.70672 -59.15773 337.92067
7350.0000 -60.24547 -59.00142 1.24406 1.70981 -59.13136 345.51531
7355.0000 -60.15881 -58.73566 1.42315 1.73032 -58.95599 374.19963
7360.0000 -60.26096 -58.80632 1.45464 1.73584 -58.90882 388.62718
7365.0000 -60.21010 -58.99523 1.21488 1.72311 -59.01761 366.22666
7370.0000 -60.42088 -59.31559 1.10529 1.70334 -59.18663 345.80634
7375.0000 -59.87979 -59.12616 0.75362 1.71729 -59.06740 349.03329
7380.0000 -60.19650 -58.96271 1.23379 1.71835 -59.05833 358.44966
7385.0000 -60.32844 -58.93936 1.38908 1.72756 -58.97958 377.50348
7390.0000 -59.99510 -58.83487 1.16023 1.74665 -58.81633 387.93799
7395.0000 -60.36154 -59.43774 0.92380 1.70465 -59.17541 339.63221
7400.0000 -59.65302 -58.63179 1.02122 1.73046 -58.95475 353.23324
7405.0000 -59.89170 -58.88165 1.01005 1.73868 -58.88450 376.23724
7410.0000 -60.12288 -59.06586 1.05701 1.73840 -58.88688 380.30641
7415.0000 -59.66427 -58.24237 1.42190 1.75658 -58.73147 413.09643
7420.0000 -60.01244 -58.54029 1.47215 1.81845 -58.20244 487.52327
7425.0000 -60.25894 -58.75464 1.50430 1.76206 -58.68457 406.37475
7430.0000 -59.89606 -58.25521 1.64085 1.78989 -58.44668 432.53161
7435.0000 -60.40701 -58.99786 1.40914 1.77330 -58.58852 421.63186
7440.0000 -60.08840 -59.02934 1.05906 1.72522 -58.99958 359.01778
7445.0000 -60.00217 -58.78646 1.21570 1.73574 -58.90963 382.00402
7450.0000 -60.15787 -59.06398 1.09390 1.71551 -59.08258 359.90176
7455.0000 -60.15310 -59.13393 1.01917 1.72442 -59.00639 357.47916
7460.0000 -59.99586 -58.77031 1.22556 1.72781 -58.97742 348.52470
7465.0000 -60.13310 -59.10374 1.02936 1.74068 -58.86737 359.46360
7470.0000 -59.89218 -58.71316 1.17902 1.73187 -58.94270 381.40666
7475.0000 -60.42655 -59.52695 0.89960 1.72458 -59.00507 367.43902
7480.0000 -60.10059 -58.66253 1.43806 1.71531 -59.08434 362.47199
7485.0000 -60.20586 -58.87344 1.33243 1.73549 -58.91181 382.63763
7490.0000 -60.11231 -58.95153 1.16078 1.72944 -58.96351 373.44812
7495.0000 -60.26203 -59.21710 1.04493 1.70747 -59.15136 344.47903
7500.0000 -59.77186 -58.81824 0.95362 1.72010 -59.04339 358.41344
FREEZING PROCESS: loop number 31 T-loop= 355.00000000000000
main_MD> interactions number 31 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72021 -3.24992 -2.50429
force_rgl> df(natom) -0.58630 0.24153 -0.28656
7505.0000 -60.22022 -59.09664 1.12358 1.70579 -59.16571 340.69825
7510.0000 -60.64938 -59.60816 1.04122 1.69431 -59.26386 341.08127
7515.0000 -60.67332 -59.81674 0.85657 1.65642 -59.58781 287.16915
7520.0000 -60.37971 -59.34888 1.03082 1.66369 -59.52562 294.92971
7525.0000 -60.49505 -59.22698 1.26807 1.67830 -59.40073 318.63395
7530.0000 -60.03021 -58.98594 1.04427 1.68782 -59.31938 332.51251
7535.0000 -60.29197 -59.16245 1.12952 1.71323 -59.10210 347.59628
7540.0000 -60.37022 -59.07162 1.29861 1.72029 -59.04176 369.55803
7545.0000 -60.11532 -58.78644 1.32888 1.72697 -58.98461 375.58577
7550.0000 -59.79414 -58.56801 1.22612 1.77176 -58.60162 416.84279
7555.0000 -60.18426 -59.14379 1.04047 1.71531 -59.08432 349.89463
7560.0000 -60.05353 -59.03044 1.02309 1.72256 -59.02235 365.81381
7565.0000 -60.29598 -58.95119 1.34480 1.72947 -58.96322 378.99656
7570.0000 -60.20730 -59.04514 1.16216 1.73426 -58.92225 353.33776
7575.0000 -59.95626 -58.43459 1.52168 1.77274 -58.59325 419.02117
7580.0000 -59.93749 -58.62089 1.31660 1.77502 -58.57376 411.60254
7585.0000 -60.11939 -59.12857 0.99081 1.72476 -59.00350 372.49245
7590.0000 -59.89609 -59.07607 0.82002 1.72184 -59.02845 339.73443
7595.0000 -60.08658 -59.06351 1.02307 1.73451 -58.92011 362.33277
7600.0000 -60.28766 -59.23437 1.05329 1.71371 -59.09797 362.99277
7605.0000 -60.18684 -59.20720 0.97964 1.70913 -59.13711 343.47435
7610.0000 -60.48097 -59.55994 0.92103 1.69434 -59.26357 337.02613
7615.0000 -60.27897 -59.26468 1.01429 1.68194 -59.36962 314.25855
7620.0000 -60.42485 -59.44684 0.97801 1.69171 -59.28612 326.91273
7625.0000 -60.05238 -58.69726 1.35513 1.71657 -59.07351 349.23548
7630.0000 -59.65705 -58.42160 1.23545 1.78421 -58.49523 424.46021
7635.0000 -60.01858 -59.09646 0.92212 1.78479 -58.49029 436.82052
7640.0000 -60.22146 -59.36616 0.85530 1.69647 -59.24538 335.30165
7645.0000 -60.26465 -59.12452 1.14013 1.69366 -59.26942 328.39345
7650.0000 -60.15784 -58.85006 1.30778 1.72816 -58.97441 362.52280
7655.0000 -60.13219 -59.13348 0.99871 1.72113 -59.03454 360.99955
7660.0000 -60.18893 -58.87534 1.31359 1.70764 -59.14987 346.11113
7665.0000 -60.29912 -59.32372 0.97540 1.70431 -59.17833 348.03479
7670.0000 -60.09082 -58.89327 1.19755 1.72194 -59.02761 373.30212
7675.0000 -60.23909 -59.12518 1.11391 1.70984 -59.13109 345.92899
7680.0000 -59.94069 -58.75820 1.18249 1.75220 -58.76891 387.08640
7685.0000 -59.60324 -58.37195 1.23128 1.78161 -58.51743 440.05510
7690.0000 -60.15185 -59.17981 0.97204 1.74632 -58.81917 381.72122
7695.0000 -60.35470 -59.41564 0.93906 1.69523 -59.25600 314.74398
7700.0000 -60.60338 -59.31035 1.29303 1.70755 -59.15064 333.27701
7705.0000 -60.50653 -59.57144 0.93509 1.68937 -59.30609 315.71688
7710.0000 -60.29138 -59.08125 1.21013 1.69713 -59.23973 338.53307
7715.0000 -60.30255 -58.70854 1.59400 1.70700 -59.15535 356.34311
7720.0000 -60.44374 -59.17806 1.26568 1.73237 -58.93843 380.73113
7725.0000 -60.16948 -59.14737 1.02211 1.71202 -59.11248 360.56683
7730.0000 -60.13194 -58.81918 1.31276 1.72996 -58.95902 367.09640
7735.0000 -60.21840 -59.31486 0.90355 1.71161 -59.11593 341.70295
7740.0000 -60.38568 -59.45951 0.92617 1.65169 -59.62825 273.82836
7745.0000 -60.22940 -58.99416 1.23524 1.68809 -59.31704 326.76381
7750.0000 -60.28266 -59.41292 0.86975 1.70312 -59.18850 340.82712
FREEZING PROCESS: loop number 32 T-loop= 330.00000000000000
main_MD> interactions number 32 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74447 -1.60767 1.17634
force_rgl> df(natom) 1.37107 0.75166 0.25566
7755.0000 -60.09413 -59.27555 0.81858 1.67282 -59.44762 301.03750
7760.0000 -60.42360 -59.31229 1.11131 1.69768 -59.23505 321.28456
7765.0000 -60.03897 -59.21222 0.82674 1.71432 -59.09277 339.37097
7770.0000 -60.13834 -58.60662 1.53172 1.73816 -58.88891 378.84835
7775.0000 -59.71868 -58.64206 1.07662 1.75522 -58.74311 409.38660
7780.0000 -60.21842 -59.25904 0.95938 1.72862 -58.97047 374.35855
7785.0000 -60.30586 -59.33359 0.97227 1.67313 -59.44494 302.09540
7790.0000 -60.08939 -59.20251 0.88689 1.69122 -59.29028 326.33980
7795.0000 -60.16744 -58.96391 1.20353 1.71689 -59.07082 347.23243
7800.0000 -60.27345 -59.59126 0.68218 1.68486 -59.34468 310.64007
7805.0000 -60.17143 -59.18094 0.99050 1.67903 -59.39453 304.77560
7810.0000 -60.17262 -59.00965 1.16297 1.71854 -59.05668 346.91042
7815.0000 -60.26248 -59.02911 1.23336 1.73037 -58.95557 356.00865
7820.0000 -60.17638 -58.97886 1.19752 1.69860 -59.22716 323.93198
7825.0000 -60.26138 -58.99462 1.26676 1.71399 -59.09557 341.09541
7830.0000 -60.44216 -59.40054 1.04162 1.69995 -59.21561 324.34882
7835.0000 -60.02422 -59.09692 0.92729 1.71081 -59.12280 349.95477
7840.0000 -60.31001 -59.47252 0.83749 1.68502 -59.34326 325.42048
7845.0000 -60.26083 -59.35802 0.90281 1.66833 -59.48595 294.31118
7850.0000 -60.43570 -59.62916 0.80654 1.68623 -59.33297 294.25363
7855.0000 -60.19508 -59.08004 1.11504 1.70217 -59.19669 333.13285
7860.0000 -60.66360 -59.54879 1.11481 1.68147 -59.37367 315.62073
7865.0000 -60.43740 -59.43097 1.00643 1.66574 -59.50813 283.63695
7870.0000 -60.40745 -59.25273 1.15472 1.68662 -59.32959 316.79072
7875.0000 -60.19165 -59.28195 0.90970 1.68945 -59.30538 317.65626
7880.0000 -60.19410 -58.92533 1.26877 1.70372 -59.18343 331.80259
7885.0000 -60.38789 -59.07965 1.30824 1.70370 -59.18359 333.05564
7890.0000 -60.35796 -59.19575 1.16221 1.72475 -59.00358 371.85963
7895.0000 -60.44114 -59.61991 0.82123 1.66816 -59.48746 298.36864
7900.0000 -60.34162 -59.37421 0.96741 1.68267 -59.36334 321.76663
7905.0000 -60.41532 -59.35306 1.06226 1.67659 -59.41536 308.01016
7910.0000 -60.71500 -59.53758 1.17742 1.69649 -59.24524 324.22305
7915.0000 -60.53607 -59.44299 1.09308 1.67807 -59.40273 309.19436
7920.0000 -60.59615 -59.45873 1.13742 1.68353 -59.35604 302.41973
7925.0000 -60.14932 -59.20445 0.94486 1.70675 -59.15752 323.96364
7930.0000 -60.38099 -58.84950 1.53149 1.73114 -58.94894 375.43664
7935.0000 -59.81283 -58.84462 0.96821 1.74300 -58.84759 386.23806
7940.0000 -60.06472 -58.96642 1.09830 1.73315 -58.93177 370.30111
7945.0000 -60.37524 -59.27632 1.09892 1.70829 -59.14429 349.55534
7950.0000 -60.23725 -59.30245 0.93480 1.71670 -59.07244 353.09811
7955.0000 -60.37435 -59.54797 0.82638 1.66968 -59.47445 302.53270
7960.0000 -60.45964 -59.17282 1.28682 1.67782 -59.40481 310.40821
7965.0000 -60.31066 -59.28545 1.02521 1.69360 -59.26988 335.88292
7970.0000 -60.35808 -59.22109 1.13699 1.70108 -59.20599 336.05134
7975.0000 -60.16325 -58.71329 1.44995 1.71681 -59.07146 368.03755
7980.0000 -60.36922 -59.10822 1.26100 1.73860 -58.88514 387.50483
7985.0000 -60.43141 -59.18457 1.24684 1.70998 -59.12989 360.79073
7990.0000 -60.16460 -59.03169 1.13291 1.69755 -59.23618 351.77836
7995.0000 -60.46272 -59.42953 1.03319 1.69922 -59.22186 343.10814
8000.0000 -59.92196 -59.11801 0.80394 1.69057 -59.29583 330.25962
FREEZING PROCESS: loop number 33 T-loop= 305.00000000000000
main_MD> interactions number 33 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27128 -1.12954 -2.09756
force_rgl> df(natom) 0.28567 -0.76864 0.63485
8005.0000 -60.45293 -59.28810 1.16483 1.71111 -59.12024 355.28448
8010.0000 -60.37425 -59.26647 1.10778 1.68331 -59.35794 318.69628
8015.0000 -60.31032 -59.13372 1.17660 1.68998 -59.30091 319.65640
8020.0000 -60.44776 -59.54221 0.90555 1.70370 -59.18358 344.67249
8025.0000 -60.37656 -59.39609 0.98047 1.66815 -59.48750 301.58557
8030.0000 -60.44304 -59.34275 1.10028 1.66438 -59.51979 297.93390
8035.0000 -60.67782 -59.58122 1.09660 1.65558 -59.59497 281.21763
8040.0000 -60.41141 -59.42156 0.98985 1.67985 -59.38751 309.88643
8045.0000 -60.52138 -59.49916 1.02222 1.67578 -59.42232 310.42562
8050.0000 -60.15438 -59.05670 1.09768 1.68724 -59.32430 328.84963
8055.0000 -59.97322 -58.85354 1.11968 1.71916 -59.05138 355.72439
8060.0000 -60.26410 -59.23382 1.03028 1.69890 -59.22461 337.97470
8065.0000 -60.55568 -59.50468 1.05100 1.69356 -59.27030 322.66096
8070.0000 -60.52730 -59.50621 1.02110 1.68556 -59.33864 323.00303
8075.0000 -60.70766 -59.64538 1.06228 1.63251 -59.79228 259.63693
8080.0000 -60.43669 -59.49776 0.93893 1.64747 -59.66437 269.14421
8085.0000 -60.52977 -59.36451 1.16527 1.65145 -59.63027 277.98743
8090.0000 -60.50930 -59.55715 0.95215 1.69388 -59.26755 339.12128
8095.0000 -60.70020 -59.41307 1.28713 1.67416 -59.43612 304.15715
8100.0000 -60.37571 -59.53364 0.84207 1.66708 -59.49671 297.58567
8105.0000 -60.42357 -59.48675 0.93681 1.66753 -59.49284 295.96115
8110.0000 -60.61640 -59.77719 0.83920 1.65453 -59.60394 282.58156
8115.0000 -60.28945 -59.43338 0.85607 1.68279 -59.36237 314.97153
8120.0000 -60.60682 -59.40958 1.19724 1.66366 -59.52591 289.81488
8125.0000 -60.53210 -59.44129 1.09081 1.66689 -59.49833 294.94056
8130.0000 -60.47475 -59.37270 1.10205 1.67449 -59.43329 307.41328
8135.0000 -60.43635 -59.65925 0.77710 1.67450 -59.43318 297.58474
8140.0000 -60.33228 -59.15280 1.17948 1.68004 -59.38590 311.87874
8145.0000 -60.56042 -59.48680 1.07361 1.69209 -59.28281 325.05180
8150.0000 -60.21061 -59.31672 0.89390 1.66737 -59.49415 297.38717
8155.0000 -60.68427 -59.92447 0.75980 1.62790 -59.83168 246.09844
8160.0000 -60.65858 -59.92240 0.73618 1.61993 -59.89979 235.48626
8165.0000 -60.42944 -59.40073 1.02871 1.63026 -59.81143 245.26986
8170.0000 -59.90725 -58.86466 1.04260 1.69330 -59.27249 320.87527
8175.0000 -60.65267 -59.85526 0.79741 1.68544 -59.33968 315.07619
8180.0000 -60.23160 -59.34838 0.88322 1.64260 -59.70599 263.98240
8185.0000 -60.26792 -59.09025 1.17768 1.69145 -59.28830 334.24934
8190.0000 -60.36043 -59.35739 1.00304 1.70886 -59.13945 344.35118
8195.0000 -60.28802 -59.38010 0.90792 1.68986 -59.30194 324.79451
8200.0000 -60.23763 -59.25984 0.97779 1.65367 -59.61136 277.24386
8205.0000 -60.31639 -59.38381 0.93258 1.69174 -59.28579 335.13386
8210.0000 -60.32213 -59.19136 1.13078 1.68827 -59.31553 316.00047
8215.0000 -60.50575 -59.48628 1.01947 1.70061 -59.20995 342.64770
8220.0000 -60.68914 -59.67745 1.01168 1.65795 -59.57476 294.03581
8225.0000 -60.58943 -59.86567 0.72377 1.64515 -59.68417 272.95197
8230.0000 -60.60070 -59.65438 0.94632 1.66717 -59.49592 292.52181
8235.0000 -60.46400 -59.59665 0.86736 1.64794 -59.66027 259.57221
8240.0000 -60.40363 -59.53929 0.86434 1.65545 -59.59609 285.04672
8245.0000 -60.54492 -59.62948 0.91544 1.63147 -59.80110 251.56967
8250.0000 -60.24240 -59.30579 0.93661 1.67610 -59.41956 307.65109
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 44.5549480 [s].
main_MD> Deallocating global variables
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