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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_73/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_73.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 = 73 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: 73 7300
main_MD> Size of nv and nvoiz: 73 7300
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 = 73
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> 6.8419552638190759E-002 -4.9462466529965804E-002 -0.13746316488881785 initial drift of cluster / NP1 for coalescence
init> 0.34506088882500396 0.36940686716242649 0.31563545177897256 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6059289320911239E-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) 2.52997 2.91609 4.43235
force_rgl> df(natom) -0.10935 -5.39367 -4.65979
preparo> THERMALIZATION PROCESS AT 1132.5161462774263
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -160.19879171146874 12.834630281797272 -173.03342199326602 6.6641803374203250E-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= 1103.0000000000000
main_MD> interactions number 1 at Temperature= 1103.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.79122 0.12037 2.77179
force_rgl> df(natom) -3.96685 -0.72345 0.64219
5.0000 -173.99646 -163.28100 10.71546 3.12103 -160.83541 1169.26208
10.0000 -170.66965 -160.77001 9.89964 3.05415 -162.00345 1138.49750
15.0000 -172.33542 -160.70582 11.62960 3.13623 -160.56986 1164.77425
20.0000 -174.76057 -164.72930 10.03127 3.01724 -162.64820 1094.57996
25.0000 -173.48745 -163.40576 10.08170 2.93250 -164.12839 1033.84537
30.0000 -172.81727 -162.73102 10.08625 2.97467 -163.39187 1118.09067
35.0000 -172.37043 -161.98532 10.38510 2.97853 -163.32431 1095.27303
40.0000 -172.16764 -163.24397 8.92367 2.93910 -164.01317 1034.29979
45.0000 -172.31819 -162.52134 9.79685 3.03563 -162.32711 1138.91915
50.0000 -171.32500 -161.27909 10.04591 3.10777 -161.06692 1187.92985
55.0000 -171.37262 -161.77346 9.59916 3.09967 -161.20840 1187.31517
60.0000 -171.07054 -162.14012 8.93042 3.05596 -161.97196 1133.42756
65.0000 -173.79310 -162.10643 11.68667 3.06255 -161.85676 1156.50256
70.0000 -175.77842 -162.49448 13.28394 3.09101 -161.35979 1193.32179
75.0000 -172.46904 -161.00391 11.46513 3.05827 -161.93166 1138.95971
80.0000 -174.46646 -164.77304 9.69343 3.02080 -162.58604 1110.36350
85.0000 -174.82088 -165.24173 9.57915 2.95935 -163.65945 1090.13513
90.0000 -174.47417 -165.69820 8.77597 2.81497 -166.18134 986.11499
95.0000 -174.72569 -165.73856 8.98713 2.87600 -165.11523 1021.31339
100.0000 -175.02459 -165.31743 9.70716 2.84532 -165.65115 1020.51120
105.0000 -172.10433 -161.24265 10.86167 2.93748 -164.04133 1088.80574
110.0000 -173.02858 -161.47000 11.55858 3.08627 -161.44256 1188.61797
115.0000 -174.59573 -163.50529 11.09044 3.02220 -162.56154 1093.73278
120.0000 -171.17212 -157.93768 13.23445 3.10227 -161.16297 1161.33135
125.0000 -172.96728 -160.89520 12.07207 3.19721 -159.50467 1195.63148
130.0000 -172.77022 -162.58266 10.18755 3.05368 -162.01178 1129.59184
135.0000 -174.28940 -162.89617 11.39322 2.98338 -163.23975 1065.53825
140.0000 -172.31598 -162.47242 9.84356 3.05775 -161.94068 1124.74047
145.0000 -173.50052 -162.42195 11.07858 3.03217 -162.38740 1113.45392
150.0000 -173.76226 -162.62099 11.14126 3.04646 -162.13789 1129.58707
155.0000 -174.57473 -166.56657 8.00816 2.96830 -163.50302 1079.09229
160.0000 -172.82355 -162.37510 10.44845 2.92173 -164.31655 1080.50485
165.0000 -172.85061 -161.86607 10.98453 3.06277 -161.85295 1176.05139
170.0000 -175.18145 -164.30122 10.88023 3.05397 -162.00674 1152.08323
175.0000 -172.12083 -162.00178 10.11904 2.98284 -163.24906 1057.53047
180.0000 -175.33857 -164.97505 10.36352 2.94780 -163.86123 1098.86751
185.0000 -174.39447 -165.86045 8.53401 2.89493 -164.78457 1034.57381
190.0000 -174.52585 -165.06416 9.46169 2.83486 -165.83393 1019.44020
195.0000 -173.94611 -164.41250 9.53362 2.92215 -164.30922 1066.17610
200.0000 -172.04380 -162.01791 10.02589 3.02368 -162.53568 1123.84688
205.0000 -172.89825 -162.20638 10.69188 2.99183 -163.09211 1104.02346
210.0000 -173.97272 -163.61065 10.36207 2.99383 -163.05721 1105.43309
215.0000 -174.54822 -163.46596 11.08226 2.96475 -163.56515 1083.69812
220.0000 -173.92682 -162.19746 11.72936 3.01537 -162.68098 1078.32917
225.0000 -173.15408 -164.15855 8.99553 3.02701 -162.47758 1120.90898
230.0000 -176.60675 -165.79454 10.81221 2.93568 -164.07285 1066.99392
235.0000 -173.59576 -165.93784 7.65792 2.90606 -164.59026 1045.21319
240.0000 -175.13408 -164.65680 10.47728 2.84519 -165.65336 1016.11666
245.0000 -174.03626 -164.28761 9.74865 2.98293 -163.24750 1113.81814
250.0000 -173.12601 -162.14759 10.97843 2.99452 -163.04503 1115.02339
FREEZING PROCESS: loop number 2 T-loop= 1078.0000000000000
main_MD> interactions number 2 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12675 -0.96463 -2.25195
force_rgl> df(natom) -0.77467 -2.11645 -2.59003
255.0000 -172.97110 -163.26734 9.70376 3.01851 -162.62610 1123.84754
260.0000 -173.39582 -162.56892 10.82691 2.95337 -163.76379 1058.64791
265.0000 -175.18913 -165.13530 10.05383 2.96057 -163.63801 1077.07399
270.0000 -175.40854 -165.02923 10.37930 2.89945 -164.70565 1054.52070
275.0000 -173.53316 -162.60925 10.92392 2.98141 -163.27411 1106.49819
280.0000 -174.99187 -165.65840 9.33347 2.90852 -164.54716 1057.36533
285.0000 -174.65643 -164.71709 9.93934 2.89274 -164.82282 1035.94088
290.0000 -172.65070 -162.20792 10.44278 2.93462 -164.09140 1082.91096
295.0000 -172.04678 -162.91632 9.13047 2.97899 -163.31639 1082.75336
300.0000 -172.00318 -161.56154 10.44164 3.02772 -162.46523 1103.40043
305.0000 -173.81267 -161.79129 12.02139 3.04399 -162.18100 1126.79286
310.0000 -171.86453 -160.67945 11.18509 3.11557 -160.93072 1181.75890
315.0000 -172.47181 -162.86975 9.60206 3.10653 -161.08869 1152.96136
320.0000 -174.49215 -164.94523 9.54693 2.93526 -164.08020 1058.55011
325.0000 -173.57550 -163.38750 10.18799 2.94332 -163.93936 1046.44150
330.0000 -172.93788 -162.74778 10.19010 2.99890 -162.96855 1097.03343
335.0000 -172.66934 -161.47508 11.19426 3.00916 -162.78943 1104.46435
340.0000 -172.15413 -162.44663 9.70750 3.04080 -162.23675 1098.13673
345.0000 -174.73127 -164.55355 10.17772 2.96434 -163.57228 1065.37024
350.0000 -173.50746 -163.33107 10.17639 2.99183 -163.09205 1096.54530
355.0000 -175.15261 -167.17217 7.98044 2.88362 -164.98212 1015.37759
360.0000 -174.30682 -162.88169 11.42512 2.94623 -163.88854 1063.64922
365.0000 -172.80560 -162.89456 9.91104 2.98640 -163.18693 1088.00095
370.0000 -174.43117 -164.77021 9.66096 2.95002 -163.82241 1079.55136
375.0000 -172.85907 -163.18032 9.67875 2.96625 -163.53889 1076.86820
380.0000 -175.44937 -163.43653 12.01284 3.00159 -162.92156 1079.27595
385.0000 -174.41038 -163.39070 11.01968 2.99539 -163.02986 1140.58657
390.0000 -173.12618 -162.23817 10.88800 2.98761 -163.16579 1096.16501
395.0000 -175.07964 -164.78280 10.29683 2.96396 -163.57896 1109.90383
400.0000 -172.69393 -162.23935 10.45458 2.91997 -164.34719 1063.85865
405.0000 -172.36362 -162.13945 10.22417 3.04144 -162.22562 1116.82218
410.0000 -174.28037 -163.98307 10.29729 3.07619 -161.61859 1139.68105
415.0000 -176.12294 -167.28256 8.84039 2.83157 -165.89128 962.80413
420.0000 -174.00468 -164.07767 9.92701 2.79218 -166.57926 967.80720
425.0000 -173.40168 -162.05115 11.35053 3.00596 -162.84521 1127.22478
430.0000 -172.41458 -161.17806 11.23653 3.07922 -161.56571 1154.64850
435.0000 -172.07294 -160.92523 11.14771 3.07120 -161.70574 1140.16688
440.0000 -172.57427 -162.21410 10.36017 3.07544 -161.63170 1140.46170
445.0000 -171.88753 -162.96692 8.92060 3.01499 -162.68750 1087.00642
450.0000 -170.31872 -161.13775 9.18097 3.03087 -162.41020 1112.10674
455.0000 -173.56436 -160.85450 12.70985 3.10889 -161.04736 1211.87165
460.0000 -173.53131 -163.87567 9.65564 2.98374 -163.23337 1092.98935
465.0000 -175.38771 -165.48242 9.90529 2.98652 -163.18483 1089.90810
470.0000 -175.87309 -168.14835 7.72474 2.75772 -167.18131 918.38368
475.0000 -174.03617 -165.09103 8.94514 2.82139 -166.06916 968.95229
480.0000 -172.84199 -162.58227 10.25972 2.94291 -163.94655 1060.37335
485.0000 -175.56691 -164.84275 10.72416 2.94911 -163.83830 1070.58746
490.0000 -174.54648 -163.92032 10.62616 2.92048 -164.33833 1018.59873
495.0000 -172.86629 -162.88047 9.98582 2.97759 -163.34077 1083.25539
500.0000 -175.57662 -165.49930 10.07732 2.92817 -164.20401 1058.43786
FREEZING PROCESS: loop number 3 T-loop= 1053.0000000000000
main_MD> interactions number 3 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34788 2.25856 -5.45756
force_rgl> df(natom) 1.45063 5.01964 0.37037
505.0000 -175.66839 -162.73645 12.93194 2.95309 -163.76877 1043.74126
510.0000 -174.37980 -163.94885 10.43095 2.94944 -163.83254 1056.75040
515.0000 -175.84783 -165.34686 10.50097 2.89169 -164.84126 1035.37123
520.0000 -175.24511 -166.39940 8.84571 2.84228 -165.70429 995.13402
525.0000 -175.13491 -163.72611 11.40880 2.91324 -164.46485 1051.24844
530.0000 -175.54540 -166.71598 8.82943 2.93041 -164.16493 1046.69371
535.0000 -174.19135 -164.50306 9.68829 2.84024 -165.73996 1029.64146
540.0000 -172.83673 -163.89730 8.93943 2.90042 -164.68868 1065.23122
545.0000 -174.90684 -164.86110 10.04575 2.90695 -164.57470 1023.01235
550.0000 -174.60817 -164.85830 9.74987 2.87537 -165.12628 1024.80132
555.0000 -172.64037 -164.94013 7.70024 2.88885 -164.89084 1021.68622
560.0000 -175.10536 -165.09309 10.01226 2.89667 -164.75422 1038.52429
565.0000 -173.84056 -163.77641 10.06415 2.93998 -163.99781 1078.31359
570.0000 -173.54609 -162.75448 10.79161 2.96074 -163.63518 1051.72835
575.0000 -172.51337 -162.41057 10.10280 3.05466 -161.99455 1146.01898
580.0000 -171.90242 -160.70495 11.19747 3.04352 -162.18924 1104.12517
585.0000 -172.53883 -162.79629 9.74254 3.02363 -162.53671 1103.54149
590.0000 -173.86329 -164.27286 9.59043 3.00908 -162.79070 1107.68672
595.0000 -170.80469 -159.95178 10.85291 2.99805 -162.98347 1096.79182
600.0000 -174.25811 -165.22413 9.03399 3.02549 -162.50420 1106.62537
605.0000 -174.48771 -164.46943 10.01829 2.84282 -165.69477 982.19483
610.0000 -172.86827 -164.37162 8.49665 2.91100 -164.50384 1043.82120
615.0000 -176.66497 -166.29977 10.36520 2.87588 -165.11741 1032.41518
620.0000 -175.94087 -165.14852 10.79235 2.88188 -165.01251 992.96561
625.0000 -173.20494 -162.05623 11.14871 2.90931 -164.53340 1063.41385
630.0000 -173.48649 -163.43767 10.04882 2.93804 -164.03154 1062.67839
635.0000 -170.83563 -161.40622 9.42941 2.98898 -163.14188 1081.64409
640.0000 -175.77149 -165.38716 10.38432 2.96847 -163.50016 1070.92126
645.0000 -173.15261 -162.13692 11.01569 2.96761 -163.51515 1065.62796
650.0000 -171.87499 -162.00313 9.87186 3.05791 -161.93781 1141.57120
655.0000 -173.53121 -165.08240 8.44881 2.99589 -163.02113 1108.17310
660.0000 -174.93566 -165.45949 9.47617 2.86758 -165.26239 977.73387
665.0000 -173.71631 -164.80637 8.90994 2.95402 -163.75248 1125.86375
670.0000 -175.08146 -165.29401 9.78745 2.86795 -165.25588 1031.78693
675.0000 -173.17061 -163.23027 9.94035 2.91931 -164.35875 1055.94369
680.0000 -173.31395 -163.40276 9.91119 3.00450 -162.87080 1108.94012
685.0000 -174.27936 -164.34681 9.93255 2.97167 -163.44414 1108.90174
690.0000 -172.58620 -163.94078 8.64542 2.90387 -164.62851 1038.87080
695.0000 -174.10351 -163.69967 10.40384 2.97373 -163.40820 1075.08854
700.0000 -173.53699 -162.26354 11.27344 3.00193 -162.91565 1093.07905
705.0000 -175.13266 -165.24955 9.88311 2.96746 -163.51766 1090.55445
710.0000 -174.84493 -162.91586 11.92908 3.02028 -162.59522 1119.14334
715.0000 -172.79468 -162.35686 10.43782 3.00056 -162.93965 1089.52433
720.0000 -172.35031 -161.99687 10.35345 3.00760 -162.81669 1059.87689
725.0000 -173.99025 -162.79837 11.19188 3.02855 -162.45077 1115.09955
730.0000 -173.20391 -163.13796 10.06595 2.98509 -163.20976 1070.86345
735.0000 -175.17720 -165.30793 9.86927 2.86034 -165.38876 1009.03491
740.0000 -174.74868 -164.85641 9.89226 2.89670 -164.75372 1058.81793
745.0000 -175.45693 -166.04402 9.41291 2.85034 -165.56339 1004.81310
750.0000 -173.19278 -163.71919 9.47359 2.91919 -164.36079 1057.53228
FREEZING PROCESS: loop number 4 T-loop= 1028.0000000000000
main_MD> interactions number 4 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50978 3.48882 -1.27363
force_rgl> df(natom) 3.81516 -2.30695 0.18632
755.0000 -174.17488 -163.48911 10.68577 2.97426 -163.39899 1088.48874
760.0000 -175.01542 -166.20633 8.80910 2.86883 -165.24044 1004.50227
765.0000 -174.08381 -165.19550 8.88831 2.81200 -166.23311 962.95724
770.0000 -174.92883 -166.21060 8.71824 2.87957 -165.05288 1015.76251
775.0000 -175.28513 -164.35698 10.92815 2.85159 -165.54171 989.23750
780.0000 -172.60219 -162.59192 10.01027 2.96987 -163.47568 1076.96930
785.0000 -172.99947 -164.84071 8.15876 2.95387 -163.75510 1083.49949
790.0000 -172.95060 -162.98774 9.96286 2.92115 -164.32666 1060.64545
795.0000 -175.07894 -165.99541 9.08354 2.88776 -164.90982 1020.89278
800.0000 -175.32646 -165.05404 10.27243 2.86367 -165.33060 1044.76813
805.0000 -174.87897 -165.40294 9.47604 2.86614 -165.28747 1021.36316
810.0000 -174.59207 -164.78197 9.81009 2.85849 -165.42114 991.65089
815.0000 -175.93923 -164.69118 11.24806 2.84902 -165.58648 1016.70732
820.0000 -174.38887 -166.42668 7.96219 2.85140 -165.54491 988.94545
825.0000 -175.73240 -166.42952 9.30288 2.80267 -166.39610 954.83626
830.0000 -174.81127 -164.54165 10.26963 2.85109 -165.55030 1032.50257
835.0000 -174.99994 -165.53749 9.46246 2.85889 -165.41419 1020.18953
840.0000 -175.83430 -168.56417 7.27013 2.77199 -166.93198 961.04093
845.0000 -175.00379 -164.94288 10.06091 2.82141 -166.06885 978.75357
850.0000 -173.44654 -163.02553 10.42101 2.96114 -163.62809 1058.69262
855.0000 -173.27556 -163.18412 10.09143 2.99748 -162.99341 1112.47929
860.0000 -172.36002 -162.95878 9.40124 2.99469 -163.04207 1086.05246
865.0000 -171.88102 -161.40842 10.47260 3.03634 -162.31468 1081.40920
870.0000 -174.76800 -166.38309 8.38492 2.97754 -163.34174 1079.23392
875.0000 -176.11980 -165.74508 10.37472 2.85322 -165.51312 968.77981
880.0000 -173.52869 -164.57803 8.95066 2.86829 -165.24990 1006.47190
885.0000 -173.81159 -163.80820 10.00338 2.89724 -164.74427 1022.47733
890.0000 -174.21969 -164.86844 9.35125 2.95195 -163.78870 1042.96354
895.0000 -173.93230 -163.74255 10.18975 2.93978 -164.00124 1030.59114
900.0000 -174.68844 -163.64877 11.03967 3.00440 -162.87258 1120.80569
905.0000 -173.98536 -164.54628 9.43908 2.84167 -165.71483 1031.02575
910.0000 -176.20293 -166.04175 10.16117 2.86809 -165.25342 997.61233
915.0000 -176.86081 -167.36501 9.49579 2.82917 -165.93332 1010.30701
920.0000 -174.50378 -165.13364 9.37014 2.81583 -166.16632 975.79860
925.0000 -175.86662 -165.36589 10.50073 2.85708 -165.44582 1008.99786
930.0000 -174.36835 -164.50314 9.86521 2.88711 -164.92122 1014.84017
935.0000 -174.27883 -163.36411 10.91472 2.96245 -163.60530 1074.86191
940.0000 -174.71809 -164.53166 10.18642 2.94114 -163.97741 1074.41694
945.0000 -175.47371 -164.86974 10.60397 2.86830 -165.24971 1019.67402
950.0000 -173.58755 -162.81038 10.77717 2.92927 -164.18474 1059.98154
955.0000 -174.07821 -165.14165 8.93657 2.90692 -164.57511 1016.48140
960.0000 -174.36636 -164.61750 9.74886 2.89959 -164.70323 1003.20130
965.0000 -174.14157 -163.54296 10.59861 2.93142 -164.14724 1057.86003
970.0000 -175.19517 -165.08458 10.11060 2.94878 -163.84411 1037.64299
975.0000 -175.65121 -167.00809 8.64311 2.82404 -166.02278 1014.48034
980.0000 -176.90224 -168.15790 8.74434 2.70305 -168.13617 892.27605
985.0000 -175.93771 -168.03170 7.90601 2.70054 -168.18007 889.52210
990.0000 -174.04941 -164.79631 9.25310 2.74369 -167.42632 925.49035
995.0000 -177.46610 -168.84921 8.61690 2.76875 -166.98855 935.45327
1000.0000 -175.83243 -167.43289 8.39953 2.73030 -167.66026 926.42753
FREEZING PROCESS: loop number 5 T-loop= 1003.0000000000000
main_MD> interactions number 5 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41952 1.90544 -1.23532
force_rgl> df(natom) 3.01944 -2.45910 -0.39136
1005.0000 -175.91481 -167.59566 8.31915 2.79463 -166.53656 979.19365
1010.0000 -174.93393 -166.09124 8.84269 2.74765 -167.35719 913.07474
1015.0000 -176.33967 -168.06756 8.27210 2.78310 -166.73802 945.05143
1020.0000 -176.74573 -168.81579 7.92994 2.69810 -168.22264 914.56988
1025.0000 -176.25768 -165.47416 10.78352 2.73476 -167.58223 939.37113
1030.0000 -174.15803 -164.08635 10.07168 2.88911 -164.88633 1029.20182
1035.0000 -173.23489 -163.27334 9.96154 2.88688 -164.92520 1030.45819
1040.0000 -174.37248 -163.64420 10.72828 2.98078 -163.28507 1091.70442
1045.0000 -174.20025 -163.89875 10.30150 2.97043 -163.46586 1110.25448
1050.0000 -176.17198 -168.00857 8.16341 2.82483 -166.00899 970.59943
1055.0000 -175.38017 -167.23961 8.14056 2.77801 -166.82676 950.84829
1060.0000 -174.37852 -165.37442 9.00409 2.82658 -165.97850 975.51100
1065.0000 -175.35731 -165.91253 9.44478 2.84585 -165.64190 1005.64555
1070.0000 -175.73105 -167.26147 8.46957 2.80947 -166.27726 978.99199
1075.0000 -175.73677 -166.44775 9.28902 2.78731 -166.66440 947.90595
1080.0000 -174.02115 -165.43736 8.58380 2.83377 -165.85291 1005.88382
1085.0000 -175.02873 -166.24095 8.78778 2.83545 -165.82357 1002.45880
1090.0000 -174.85485 -166.11705 8.73780 2.84523 -165.65272 982.09016
1095.0000 -174.56450 -165.45334 9.11116 2.88871 -164.89324 1030.81428
1100.0000 -174.66162 -164.90812 9.75351 2.91932 -164.35858 1043.77872
1105.0000 -175.41948 -165.84913 9.57035 2.89000 -164.87067 1027.39062
1110.0000 -174.98869 -166.10271 8.88598 2.82748 -165.96274 973.51288
1115.0000 -175.93965 -166.61779 9.32186 2.81356 -166.20592 968.70961
1120.0000 -175.38395 -166.56437 8.81958 2.85761 -165.43643 1010.55428
1125.0000 -176.83414 -167.16597 9.66817 2.78464 -166.71111 978.85258
1130.0000 -175.07853 -165.10501 9.97353 2.80189 -166.40981 962.02591
1135.0000 -173.75157 -164.68940 9.06217 2.87785 -165.08287 1022.58991
1140.0000 -174.24436 -164.22955 10.01481 2.93128 -164.14964 1074.19818
1145.0000 -173.12418 -163.53203 9.59215 2.95413 -163.75055 1091.24516
1150.0000 -174.04084 -165.52316 8.51768 2.90375 -164.63053 1021.64086
1155.0000 -175.46100 -165.84056 9.62043 2.75985 -167.14403 954.25775
1160.0000 -176.13040 -166.51927 9.61113 2.87848 -165.07203 1038.61410
1165.0000 -174.94513 -167.17011 7.77502 2.81163 -166.23967 954.44205
1170.0000 -177.01440 -168.29318 8.72123 2.73266 -167.61889 921.89190
1175.0000 -174.91939 -166.24623 8.67315 2.76029 -167.13643 912.81340
1180.0000 -176.51086 -168.01398 8.49688 2.77661 -166.85130 908.16817
1185.0000 -175.42996 -165.42558 10.00438 2.72906 -167.68188 899.47410
1190.0000 -173.91412 -162.30329 11.61083 2.98312 -163.24428 1063.05585
1195.0000 -174.60539 -165.25087 9.35453 2.98365 -163.23499 1078.58117
1200.0000 -175.72620 -165.05040 10.67580 2.84052 -165.73492 987.24817
1205.0000 -175.57709 -166.46056 9.11653 2.84569 -165.64472 988.83248
1210.0000 -173.93359 -164.54805 9.38554 2.84243 -165.70167 980.09823
1215.0000 -176.52509 -167.23542 9.28967 2.91219 -164.48306 1041.62162
1220.0000 -175.46383 -165.44566 10.01817 2.81621 -166.15967 977.51859
1225.0000 -174.96569 -164.79683 10.16887 2.84264 -165.69791 992.24488
1230.0000 -174.35952 -164.38599 9.97353 2.88399 -164.97566 1013.14867
1235.0000 -173.92726 -164.25649 9.67077 2.91551 -164.42507 1052.87899
1240.0000 -174.54555 -165.51349 9.03206 2.94586 -163.89498 1062.09527
1245.0000 -173.93777 -165.21361 8.72416 2.90319 -164.64036 1022.63291
1250.0000 -174.80185 -166.29977 8.50208 2.81700 -166.14572 973.82860
FREEZING PROCESS: loop number 6 T-loop= 978.00000000000000
main_MD> interactions number 6 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.97717 -1.41500 0.29654
force_rgl> df(natom) -1.53189 1.73522 -1.26360
1255.0000 -174.34289 -164.83579 9.50710 2.94050 -163.98865 1062.73172
1260.0000 -173.95638 -163.87988 10.07650 2.89618 -164.76287 1036.81959
1265.0000 -174.51142 -166.49977 8.01165 2.83468 -165.83698 969.42153
1270.0000 -174.56198 -165.30541 9.25657 2.76464 -167.06041 937.06726
1275.0000 -176.08036 -166.52048 9.55988 2.80204 -166.40714 957.82566
1280.0000 -176.11228 -167.57255 8.53973 2.77208 -166.93046 964.17180
1285.0000 -176.48264 -167.30065 9.18200 2.81213 -166.23089 982.21681
1290.0000 -175.03953 -166.06787 8.97166 2.76754 -167.00971 942.90792
1295.0000 -177.11697 -166.72736 10.38961 2.80220 -166.40436 989.63363
1300.0000 -174.47980 -165.48367 8.99613 2.81396 -166.19899 980.47109
1305.0000 -176.25158 -167.67855 8.57302 2.85100 -165.55192 966.45595
1310.0000 -176.51735 -167.15521 9.36214 2.73576 -167.56490 939.15118
1315.0000 -174.08060 -164.01785 10.06275 2.83822 -165.77520 1010.66435
1320.0000 -173.80436 -163.47415 10.33022 2.92375 -164.28128 1060.88638
1325.0000 -177.33863 -166.66188 10.67676 2.83543 -165.82395 1003.05373
1330.0000 -175.11795 -165.64520 9.47275 2.84644 -165.63150 989.48358
1335.0000 -176.22046 -166.56103 9.65943 2.74531 -167.39796 919.85502
1340.0000 -175.94138 -166.66292 9.27846 2.77802 -166.82666 967.40708
1345.0000 -175.08929 -166.71035 8.37894 2.83095 -165.90217 982.60926
1350.0000 -175.44344 -165.54947 9.89397 2.83616 -165.81111 987.37861
1355.0000 -175.05790 -165.25837 9.79953 2.85601 -165.46441 984.39577
1360.0000 -173.19234 -164.55983 8.63251 2.86402 -165.32451 1004.06972
1365.0000 -174.93969 -166.35248 8.58721 2.86920 -165.23411 1015.67454
1370.0000 -176.29101 -168.15122 8.13979 2.78325 -166.73528 953.86698
1375.0000 -176.90906 -167.31779 9.59127 2.77711 -166.84249 962.00820
1380.0000 -176.22147 -166.52583 9.69564 2.75077 -167.30269 939.06960
1385.0000 -175.43135 -167.46803 7.96332 2.73738 -167.53647 931.51295
1390.0000 -176.52897 -168.17073 8.35824 2.71672 -167.89736 925.81144
1395.0000 -175.94748 -166.08340 9.86408 2.71102 -167.99695 916.37870
1400.0000 -175.33029 -165.00480 10.32549 2.85238 -165.52780 992.73659
1405.0000 -176.07139 -165.71159 10.35980 2.83247 -165.87558 1007.56965
1410.0000 -177.13001 -167.08978 10.04023 2.79633 -166.50693 1003.45507
1415.0000 -176.41307 -168.96144 7.45162 2.72629 -167.73017 930.28362
1420.0000 -175.85586 -166.50019 9.35567 2.70087 -168.17418 910.72740
1425.0000 -174.59613 -165.64742 8.94872 2.85166 -165.54036 1033.07063
1430.0000 -176.41548 -167.49956 8.91592 2.75161 -167.28792 936.03208
1435.0000 -176.39802 -166.41978 9.97824 2.73671 -167.54819 935.40565
1440.0000 -176.34661 -167.73235 8.61426 2.74371 -167.42597 932.76258
1445.0000 -175.27992 -166.05804 9.22188 2.76204 -167.10582 944.40562
1450.0000 -175.18513 -166.66594 8.51918 2.80974 -166.27270 955.46199
1455.0000 -175.93035 -166.98754 8.94281 2.78564 -166.69358 945.85618
1460.0000 -176.54905 -168.60118 7.94787 2.72033 -167.83426 902.60376
1465.0000 -176.44266 -166.36382 10.07884 2.71911 -167.85558 878.20243
1470.0000 -172.80615 -163.61574 9.19041 2.81951 -166.10191 959.01022
1475.0000 -175.23409 -165.81089 9.42319 2.89406 -164.79987 996.35378
1480.0000 -175.15372 -164.00371 11.15001 2.83461 -165.83829 992.82837
1485.0000 -174.20346 -165.24983 8.95363 2.88942 -164.88089 1013.98794
1490.0000 -172.41106 -162.84792 9.56314 2.93240 -164.13020 1070.26303
1495.0000 -174.89006 -165.17496 9.71510 2.87191 -165.18673 1007.25526
1500.0000 -175.88068 -166.47537 9.40531 2.80405 -166.37194 996.99642
FREEZING PROCESS: loop number 7 T-loop= 953.00000000000000
main_MD> interactions number 7 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46374 -0.38724 -0.73183
force_rgl> df(natom) 5.50022 -0.31849 -5.44351
1505.0000 -174.40037 -163.71730 10.68307 2.86184 -165.36266 1018.64596
1510.0000 -174.66034 -165.33594 9.32440 2.91194 -164.48744 1033.76230
1515.0000 -176.41674 -167.46781 8.94893 2.80465 -166.36157 973.27882
1520.0000 -176.03117 -167.08725 8.94393 2.72053 -167.83088 916.42907
1525.0000 -174.73181 -165.64965 9.08216 2.80621 -166.33425 996.19578
1530.0000 -174.78250 -164.83398 9.94853 2.85361 -165.50628 1012.12601
1535.0000 -176.75216 -168.26773 8.48443 2.81389 -166.20011 997.91623
1540.0000 -175.44426 -166.60097 8.84328 2.71542 -167.92015 911.33396
1545.0000 -176.43176 -166.62632 9.80544 2.78348 -166.73131 964.88406
1550.0000 -175.79027 -165.94852 9.84174 2.82734 -165.96512 984.87010
1555.0000 -174.51269 -165.85376 8.65893 2.79962 -166.44934 984.04793
1560.0000 -176.93021 -168.41128 8.51893 2.75224 -167.27694 928.70777
1565.0000 -176.80194 -167.12428 9.67765 2.71345 -167.95448 924.62437
1570.0000 -177.08761 -167.63793 9.44967 2.74583 -167.38899 947.27342
1575.0000 -177.22855 -167.86500 9.36355 2.72435 -167.76403 939.07676
1580.0000 -174.01407 -165.84687 8.16720 2.81289 -166.21760 986.74483
1585.0000 -175.43679 -167.21147 8.22531 2.76800 -167.00166 939.44159
1590.0000 -175.68726 -167.74512 7.94214 2.75852 -167.16726 926.98671
1595.0000 -175.40882 -166.51556 8.89326 2.71791 -167.87659 921.35825
1600.0000 -175.30752 -164.96022 10.34730 2.81006 -166.26706 977.86608
1605.0000 -175.22433 -165.19706 10.02728 2.90736 -164.56742 1008.50328
1610.0000 -174.48581 -164.11941 10.36640 2.91269 -164.47434 1059.58561
1615.0000 -177.14625 -167.92818 9.21807 2.82870 -165.94151 962.17264
1620.0000 -175.33936 -165.46978 9.86959 2.81200 -166.23321 972.02601
1625.0000 -176.29821 -166.95368 9.34453 2.77372 -166.90180 967.72582
1630.0000 -175.85506 -167.36958 8.48548 2.76444 -167.06395 953.26967
1635.0000 -176.58768 -167.81714 8.77054 2.75394 -167.24721 924.24128
1640.0000 -177.88506 -168.93461 8.95045 2.67690 -168.59285 904.35622
1645.0000 -176.68131 -168.84544 7.83586 2.60748 -169.80545 850.71189
1650.0000 -175.85657 -166.08798 9.76859 2.79799 -166.47783 974.62974
1655.0000 -175.83838 -166.50921 9.32917 2.75478 -167.23268 936.80403
1660.0000 -176.58735 -167.45405 9.13330 2.82021 -166.08974 978.97641
1665.0000 -175.65652 -168.62394 7.03258 2.72243 -167.79770 893.90718
1670.0000 -176.92562 -168.06891 8.85671 2.73498 -167.57838 945.01445
1675.0000 -176.25250 -166.57303 9.67946 2.71651 -167.90105 912.61682
1680.0000 -175.34478 -166.37447 8.97031 2.76537 -167.04763 962.37985
1685.0000 -178.37903 -167.68481 10.69421 2.75407 -167.24498 953.72535
1690.0000 -176.31539 -167.11002 9.20537 2.68577 -168.43805 896.11535
1695.0000 -176.48760 -167.34390 9.14370 2.74104 -167.47266 922.31977
1700.0000 -173.42129 -165.11694 8.30435 2.81577 -166.16737 955.03662
1705.0000 -174.83341 -165.83489 8.99852 2.82038 -166.08676 969.96312
1710.0000 -177.36354 -168.64308 8.72047 2.76299 -167.08917 947.15985
1715.0000 -177.22149 -168.54086 8.68062 2.65985 -168.89068 892.76118
1720.0000 -175.32924 -166.59437 8.73487 2.74569 -167.39139 931.21677
1725.0000 -176.17144 -167.34236 8.82909 2.85084 -165.55473 1023.42537
1730.0000 -177.73419 -168.94417 8.79002 2.69566 -168.26522 920.54444
1735.0000 -174.25377 -165.55754 8.69622 2.76309 -167.08750 942.99915
1740.0000 -175.24839 -165.96242 9.28596 2.82082 -166.07915 992.17461
1745.0000 -176.47806 -167.48204 8.99602 2.67999 -168.53898 897.04724
1750.0000 -177.01417 -166.60960 10.40457 2.72727 -167.71304 943.74990
FREEZING PROCESS: loop number 8 T-loop= 928.00000000000000
main_MD> interactions number 8 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.29485 0.69003 -1.39926
force_rgl> df(natom) 3.62455 -1.25488 3.66963
1755.0000 -175.72594 -166.81095 8.91498 2.80723 -166.31639 981.80440
1760.0000 -178.20100 -169.92094 8.28006 2.63941 -169.24768 880.52213
1765.0000 -177.71205 -169.70134 8.01071 2.63302 -169.35929 881.84427
1770.0000 -177.46707 -169.56791 7.89917 2.63638 -169.30060 856.26041
1775.0000 -176.99098 -167.44836 9.54263 2.66297 -168.83617 890.35651
1780.0000 -173.57747 -164.44625 9.13121 2.84300 -165.69170 980.34443
1785.0000 -176.55202 -168.07729 8.47473 2.77001 -166.96656 937.70723
1790.0000 -176.93781 -167.67962 9.25819 2.75104 -167.29796 964.36652
1795.0000 -176.46374 -167.71979 8.74395 2.73945 -167.50031 943.51279
1800.0000 -176.73266 -167.09371 9.63896 2.72802 -167.70005 914.42955
1805.0000 -175.40413 -166.17312 9.23101 2.85617 -165.46166 1016.52604
1810.0000 -176.56820 -167.05062 9.51758 2.77279 -166.91797 953.38729
1815.0000 -176.06106 -166.91118 9.14988 2.80888 -166.28766 953.77709
1820.0000 -175.88507 -167.21482 8.67025 2.74236 -167.44945 906.21917
1825.0000 -175.32842 -167.28796 8.04046 2.78631 -166.68187 926.73930
1830.0000 -176.24672 -167.44105 8.80567 2.73446 -167.58751 927.53909
1835.0000 -177.47322 -168.87649 8.59673 2.74149 -167.46473 937.53866
1840.0000 -175.44819 -166.56693 8.88125 2.67594 -168.60966 900.06428
1845.0000 -175.68577 -165.86568 9.82009 2.79616 -166.50975 972.39099
1850.0000 -177.10444 -167.08985 10.01459 2.81802 -166.12805 987.62849
1855.0000 -175.57656 -166.55424 9.02231 2.76356 -167.07925 935.35664
1860.0000 -176.39332 -165.54723 10.84609 2.85996 -165.39547 980.70051
1865.0000 -175.05945 -167.37408 7.68538 2.80018 -166.43966 973.70328
1870.0000 -175.14767 -166.29905 8.84862 2.75279 -167.26739 970.52368
1875.0000 -174.31159 -165.71278 8.59881 2.83134 -165.89541 1001.34777
1880.0000 -176.31255 -166.74276 9.56979 2.84855 -165.59472 997.70963
1885.0000 -176.23552 -167.25421 8.98131 2.78720 -166.66640 974.96798
1890.0000 -175.54424 -166.36698 9.17726 2.71976 -167.84421 886.35079
1895.0000 -175.77942 -166.88238 8.89704 2.75459 -167.23586 935.23392
1900.0000 -177.79342 -169.89873 7.89470 2.71222 -167.97601 917.71343
1905.0000 -176.00957 -168.47216 7.53740 2.64735 -169.10907 850.75561
1910.0000 -176.11683 -167.26581 8.85102 2.70187 -168.15678 884.88713
1915.0000 -177.01910 -169.68565 7.33345 2.65988 -168.89025 888.74974
1920.0000 -174.47209 -165.89579 8.57630 2.68627 -168.42931 887.95586
1925.0000 -175.75887 -166.95969 8.79918 2.82171 -166.06359 987.72324
1930.0000 -177.22420 -167.63191 9.59229 2.78154 -166.76521 964.24385
1935.0000 -174.74144 -164.50429 10.23716 2.84558 -165.64663 1015.31958
1940.0000 -175.38277 -166.23840 9.14437 2.88095 -165.02884 1009.13008
1945.0000 -175.30012 -165.75487 9.54525 2.87649 -165.10674 1031.79003
1950.0000 -175.47711 -165.56971 9.90740 2.81086 -166.25302 985.24260
1955.0000 -175.78524 -166.96247 8.82277 2.80044 -166.43500 968.81189
1960.0000 -176.20984 -166.97922 9.23062 2.80187 -166.41008 938.73740
1965.0000 -176.01074 -166.91010 9.10064 2.78894 -166.63585 963.93884
1970.0000 -175.44147 -165.96964 9.47184 2.74369 -167.42624 936.81844
1975.0000 -176.18338 -166.48642 9.69696 2.74528 -167.39853 959.34457
1980.0000 -176.08994 -166.63894 9.45100 2.79954 -166.45083 930.93796
1985.0000 -177.28713 -169.63121 7.65593 2.68570 -168.43923 873.84881
1990.0000 -178.44892 -169.50346 8.94546 2.61093 -169.74519 836.97387
1995.0000 -175.74496 -168.13631 7.60865 2.70310 -168.13535 905.35357
2000.0000 -176.73355 -168.13842 8.59513 2.74817 -167.34800 951.90996
FREEZING PROCESS: loop number 9 T-loop= 903.00000000000000
main_MD> interactions number 9 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33322 -1.73569 0.69193
force_rgl> df(natom) 4.18363 -4.04818 -0.28805
2005.0000 -175.90780 -166.68924 9.21855 2.73632 -167.55505 944.22775
2010.0000 -176.07427 -167.80190 8.27238 2.77660 -166.85139 934.43246
2015.0000 -178.15289 -169.31427 8.83862 2.65684 -168.94331 874.78975
2020.0000 -177.23100 -168.28408 8.94692 2.65084 -169.04815 868.05746
2025.0000 -176.43897 -167.69231 8.74666 2.65500 -168.97553 892.73102
2030.0000 -176.25707 -166.92829 9.32878 2.73173 -167.63518 915.73475
2035.0000 -175.94972 -168.44865 7.50107 2.73548 -167.56969 908.31232
2040.0000 -177.53746 -169.39078 8.14668 2.64913 -169.07805 862.45584
2045.0000 -176.38057 -168.46069 7.91988 2.65642 -168.95057 874.47119
2050.0000 -177.97119 -169.19568 8.77551 2.61703 -169.63868 832.49946
2055.0000 -177.01814 -169.79015 7.22800 2.59521 -170.01978 852.21178
2060.0000 -175.04681 -167.23111 7.81570 2.71035 -168.00869 925.30222
2065.0000 -176.54513 -167.20363 9.34151 2.77626 -166.85733 963.14613
2070.0000 -175.85009 -166.48633 9.36376 2.74343 -167.43083 904.12841
2075.0000 -175.43783 -166.60610 8.83174 2.77215 -166.92918 957.55437
2080.0000 -176.83190 -167.85187 8.98003 2.70020 -168.18602 876.87543
2085.0000 -175.96452 -166.34553 9.61898 2.74629 -167.38089 941.43509
2090.0000 -178.12132 -169.93039 8.19093 2.70553 -168.09291 898.60329
2095.0000 -178.02564 -169.31913 8.70651 2.65877 -168.90953 865.91775
2100.0000 -175.70542 -168.24897 7.45644 2.66156 -168.86084 865.05917
2105.0000 -176.13724 -165.89285 10.24438 2.78864 -166.64120 945.38232
2110.0000 -175.33401 -166.60908 8.72493 2.80198 -166.40825 971.25030
2115.0000 -176.76663 -169.04571 7.72092 2.72049 -167.83160 924.34836
2120.0000 -177.90253 -169.55412 8.34841 2.64308 -169.18369 901.60446
2125.0000 -178.51342 -170.48869 8.02474 2.61363 -169.69806 861.20716
2130.0000 -178.32491 -171.52470 6.80021 2.53411 -171.08707 794.46961
2135.0000 -177.57633 -169.72250 7.85382 2.60108 -169.91720 836.66322
2140.0000 -177.73609 -170.73212 7.00396 2.58147 -170.25979 840.47963
2145.0000 -178.07194 -169.18517 8.88676 2.61607 -169.65547 875.60332
2150.0000 -176.82058 -168.76022 8.06036 2.67144 -168.68834 890.29950
2155.0000 -176.69668 -168.22706 8.46962 2.65170 -169.03301 881.43290
2160.0000 -176.42240 -168.16823 8.25417 2.72336 -167.78139 914.92632
2165.0000 -177.72026 -169.51035 8.20991 2.67314 -168.65861 900.54680
2170.0000 -175.75043 -166.63338 9.11705 2.69175 -168.33356 907.53635
2175.0000 -177.53652 -168.67536 8.86116 2.74597 -167.38651 949.83607
2180.0000 -177.67033 -170.46698 7.20335 2.65113 -169.04296 902.64520
2185.0000 -178.27521 -169.87840 8.39681 2.59732 -169.98287 837.52274
2190.0000 -176.59457 -169.20838 7.38619 2.62577 -169.48596 857.48595
2195.0000 -177.62582 -169.38919 8.23663 2.58100 -170.26807 865.69573
2200.0000 -177.34866 -167.89755 9.45111 2.69133 -168.34090 911.96061
2205.0000 -177.24085 -169.96568 7.27517 2.71382 -167.94804 913.20495
2210.0000 -176.41037 -167.80307 8.60730 2.67330 -168.65574 858.24698
2215.0000 -178.44212 -170.83575 7.60638 2.58848 -170.13740 821.99066
2220.0000 -178.01949 -169.73461 8.28488 2.53052 -171.14964 781.77129
2225.0000 -178.26743 -168.40951 9.85792 2.64187 -169.20471 852.96914
2230.0000 -179.37599 -170.80754 8.56845 2.59536 -170.01716 839.84717
2235.0000 -177.85685 -170.11965 7.73720 2.62090 -169.57112 859.30590
2240.0000 -177.65319 -169.54681 8.10638 2.63486 -169.32726 872.89054
2245.0000 -177.55350 -168.78179 8.77171 2.66198 -168.85358 879.78252
2250.0000 -177.72087 -167.84941 9.87146 2.68425 -168.46448 907.49068
FREEZING PROCESS: loop number 10 T-loop= 878.00000000000000
main_MD> interactions number 10 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.13450 0.30255 -4.22171
force_rgl> df(natom) -0.03180 0.65542 1.18887
2255.0000 -177.00460 -168.43218 8.57242 2.70688 -168.06924 938.08746
2260.0000 -176.46827 -167.97286 8.49541 2.70090 -168.17365 915.16213
2265.0000 -176.13665 -167.67745 8.45920 2.70229 -168.14941 889.65780
2270.0000 -179.22040 -171.25414 7.96627 2.65260 -169.01742 868.07846
2275.0000 -178.95597 -171.37893 7.57705 2.52399 -171.26372 781.42121
2280.0000 -176.40794 -168.08709 8.32086 2.54604 -170.87856 805.54171
2285.0000 -175.54857 -165.46053 10.08804 2.77755 -166.83485 951.74439
2290.0000 -174.22113 -165.19918 9.02195 2.86961 -165.22679 1006.14594
2295.0000 -176.95177 -168.77199 8.17977 2.74539 -167.39665 921.46037
2300.0000 -176.38294 -167.62919 8.75375 2.69407 -168.29300 909.99292
2305.0000 -177.55305 -167.80551 9.74754 2.70963 -168.02117 907.43031
2310.0000 -175.63589 -165.08992 10.54597 2.75725 -167.18953 924.67687
2315.0000 -175.01288 -167.15045 7.86243 2.77491 -166.88100 945.58816
2320.0000 -176.20806 -168.55438 7.65368 2.71129 -167.99219 918.91033
2325.0000 -176.72864 -168.39547 8.33317 2.70021 -168.18570 898.29340
2330.0000 -175.74163 -168.53346 7.20816 2.67576 -168.61280 871.10406
2335.0000 -177.08268 -169.11009 7.97259 2.61925 -169.59989 816.93382
2340.0000 -176.92305 -169.05794 7.86511 2.62494 -169.50046 853.77278
2345.0000 -176.97053 -169.51837 7.45216 2.65174 -169.03244 852.06322
2350.0000 -177.33065 -168.96608 8.36457 2.65267 -169.01620 869.87761
2355.0000 -177.34293 -169.20865 8.13428 2.61808 -169.62038 843.63794
2360.0000 -178.10466 -170.62781 7.47685 2.63959 -169.24462 881.76881
2365.0000 -177.22309 -169.20675 8.01633 2.55498 -170.72255 820.68028
2370.0000 -178.49566 -169.23160 9.26406 2.63084 -169.39736 842.85502
2375.0000 -175.13851 -167.15576 7.98275 2.72893 -167.68409 924.02650
2380.0000 -173.91940 -165.79786 8.12154 2.83070 -165.90651 981.96435
2385.0000 -176.12373 -168.15996 7.96377 2.77657 -166.85199 945.09558
2390.0000 -177.21717 -168.42007 8.79710 2.68532 -168.44589 898.91221
2395.0000 -179.12099 -170.30688 8.81410 2.64013 -169.23515 892.62914
2400.0000 -177.54943 -169.56664 7.98279 2.63782 -169.27550 851.22538
2405.0000 -176.59586 -168.01296 8.58290 2.63234 -169.37128 854.76869
2410.0000 -176.97575 -168.75964 8.21611 2.70961 -168.02157 926.62385
2415.0000 -175.32066 -166.70037 8.62029 2.70744 -168.05953 906.02514
2420.0000 -175.82327 -166.47412 9.34914 2.78752 -166.66077 932.28562
2425.0000 -177.28791 -168.81611 8.47181 2.69719 -168.23858 920.54428
2430.0000 -178.71899 -169.47860 9.24039 2.62420 -169.51336 847.92890
2435.0000 -176.23799 -168.02297 8.21502 2.67897 -168.55676 894.99471
2440.0000 -177.77059 -170.11699 7.65360 2.63330 -169.35451 864.07217
2445.0000 -178.03059 -170.69508 7.33552 2.52978 -171.16269 794.83591
2450.0000 -179.02033 -172.21913 6.80119 2.50875 -171.53000 772.98899
2455.0000 -177.71261 -169.13118 8.58143 2.52598 -171.22906 803.39766
2460.0000 -178.71399 -169.77998 8.93401 2.73828 -167.52085 939.38166
2465.0000 -177.80131 -169.43123 8.37008 2.58735 -170.15711 840.15477
2470.0000 -176.77408 -168.99953 7.77455 2.63413 -169.33997 858.44680
2475.0000 -178.99075 -169.98774 9.00301 2.66023 -168.88410 888.41647
2480.0000 -176.55452 -167.84279 8.71174 2.63761 -169.27926 882.22633
2485.0000 -174.55305 -166.18751 8.36554 2.78328 -166.73485 926.82686
2490.0000 -176.63329 -167.36789 9.26540 2.70952 -168.02320 925.66150
2495.0000 -177.02760 -169.40716 7.62043 2.66232 -168.84752 867.74840
2500.0000 -179.55064 -170.31161 9.23902 2.58802 -170.14537 831.05761
FREEZING PROCESS: loop number 11 T-loop= 853.00000000000000
main_MD> interactions number 11 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44060 -0.75873 -0.96894
force_rgl> df(natom) 0.70425 3.41635 0.57188
2505.0000 -178.24430 -169.82779 8.41651 2.59241 -170.06868 818.32690
2510.0000 -177.07536 -168.80001 8.27534 2.62377 -169.52100 841.66550
2515.0000 -177.79051 -170.35858 7.43193 2.58727 -170.15853 800.70248
2520.0000 -175.44892 -168.09169 7.35723 2.61732 -169.63351 828.70500
2525.0000 -175.42596 -168.07999 7.34597 2.77721 -166.84088 940.34790
2530.0000 -177.02112 -167.80794 9.21318 2.69673 -168.24652 864.40799
2535.0000 -177.16153 -167.84287 9.31866 2.70156 -168.16224 898.69951
2540.0000 -178.62418 -170.54428 8.07990 2.61266 -169.71503 836.19709
2545.0000 -178.67402 -169.38232 9.29170 2.56754 -170.50312 826.86711
2550.0000 -177.48055 -169.77486 7.70569 2.62692 -169.46585 840.18004
2555.0000 -176.02478 -167.46162 8.56317 2.64085 -169.22264 846.71719
2560.0000 -177.00554 -168.49509 8.51045 2.68631 -168.42855 880.54819
2565.0000 -177.71587 -169.31656 8.39931 2.66197 -168.85372 869.75714
2570.0000 -176.27556 -167.94763 8.32792 2.68627 -168.42921 890.04045
2575.0000 -178.72585 -171.01475 7.71110 2.62003 -169.58633 847.64540
2580.0000 -177.44973 -170.15202 7.29771 2.53305 -171.10553 777.71583
2585.0000 -177.40592 -168.93511 8.47082 2.59685 -169.99117 821.79018
2590.0000 -177.63829 -169.44884 8.18945 2.59826 -169.96647 852.05280
2595.0000 -177.08559 -168.23033 8.85526 2.63131 -169.38921 866.11278
2600.0000 -176.96287 -167.72140 9.24147 2.69234 -168.32331 879.41698
2605.0000 -176.79016 -167.20562 9.58454 2.72846 -167.69229 946.06851
2610.0000 -178.32828 -168.24605 10.08223 2.69160 -168.33619 911.28738
2615.0000 -177.08792 -169.52139 7.56653 2.65124 -169.04104 874.58357
2620.0000 -178.31683 -169.80065 8.51617 2.58599 -170.18076 838.34669
2625.0000 -177.80869 -168.09236 9.71634 2.66313 -168.83351 884.46943
2630.0000 -175.08945 -165.76195 9.32750 2.78759 -166.65959 957.70582
2635.0000 -175.21282 -165.55737 9.65545 2.79294 -166.56613 955.25930
2640.0000 -176.64825 -168.26276 8.38549 2.74775 -167.35536 935.84223
2645.0000 -177.32433 -167.54833 9.77600 2.69106 -168.34554 887.23407
2650.0000 -178.07322 -170.31366 7.75956 2.65684 -168.94334 862.77156
2655.0000 -176.76579 -168.59407 8.17172 2.62574 -169.48660 861.25996
2660.0000 -176.42359 -168.55178 7.87182 2.65083 -169.04821 876.43660
2665.0000 -177.09752 -169.91583 7.18169 2.68938 -168.37495 916.69776
2670.0000 -176.37854 -169.05767 7.32087 2.61095 -169.74487 824.39792
2675.0000 -176.60581 -167.64844 8.95737 2.68346 -168.47833 899.79943
2680.0000 -177.34405 -169.00815 8.33590 2.68453 -168.45958 890.80397
2685.0000 -177.30217 -170.56071 6.74146 2.61348 -169.70064 834.80060
2690.0000 -176.98416 -169.34060 7.64356 2.64805 -169.09677 878.23526
2695.0000 -174.27556 -166.13781 8.13775 2.71099 -167.99749 903.87509
2700.0000 -175.27702 -167.58078 7.69624 2.76159 -167.11367 934.53797
2705.0000 -177.79104 -167.50288 10.28816 2.73299 -167.61329 928.52335
2710.0000 -175.81628 -167.32068 8.49560 2.74535 -167.39739 918.16143
2715.0000 -176.32538 -167.23118 9.09420 2.73944 -167.50051 894.73613
2720.0000 -175.93454 -167.51857 8.41597 2.70420 -168.11610 918.55926
2725.0000 -178.33759 -169.10327 9.23432 2.71476 -167.93154 895.24590
2730.0000 -174.61124 -165.82355 8.78768 2.69274 -168.31632 883.73657
2735.0000 -175.00420 -166.25800 8.74619 2.77983 -166.79498 907.32865
2740.0000 -176.90042 -169.24417 7.65624 2.76495 -167.05491 921.08914
2745.0000 -177.11375 -169.17436 7.93939 2.66781 -168.75168 868.48592
2750.0000 -178.78029 -171.19710 7.58319 2.59676 -169.99270 835.78879
FREEZING PROCESS: loop number 12 T-loop= 828.00000000000000
main_MD> interactions number 12 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37997 0.64941 -2.69816
force_rgl> df(natom) -0.26228 -1.38239 1.98746
2755.0000 -179.61717 -171.73078 7.88639 2.53019 -171.15553 792.81835
2760.0000 -177.89978 -169.70164 8.19814 2.52451 -171.25468 794.07155
2765.0000 -178.86342 -170.66284 8.20058 2.60510 -169.84704 858.85832
2770.0000 -179.77948 -171.24688 8.53260 2.59400 -170.04096 823.63544
2775.0000 -178.28968 -171.37505 6.91463 2.54220 -170.94572 794.16055
2780.0000 -178.28062 -171.31073 6.96988 2.48814 -171.88996 766.17337
2785.0000 -179.21499 -171.46472 7.75027 2.49271 -171.81008 786.35480
2790.0000 -179.04370 -171.15523 7.88848 2.53058 -171.14871 784.55415
2795.0000 -180.06297 -170.92771 9.13526 2.53458 -171.07878 798.57334
2800.0000 -178.57371 -171.24645 7.32725 2.54130 -170.96136 794.02364
2805.0000 -178.20092 -170.73264 7.46828 2.56134 -170.61138 817.14232
2810.0000 -178.69301 -169.86741 8.82560 2.55288 -170.75918 812.17193
2815.0000 -179.23882 -171.56708 7.67173 2.56005 -170.63399 804.57524
2820.0000 -179.93121 -170.87074 9.06048 2.49452 -171.77854 781.18910
2825.0000 -180.22905 -172.10609 8.12296 2.47827 -172.06239 760.78642
2830.0000 -178.36598 -171.53683 6.82915 2.52301 -171.28096 773.58985
2835.0000 -179.17870 -171.33976 7.83894 2.53698 -171.03694 822.03215
2840.0000 -177.48973 -169.09797 8.39176 2.58027 -170.28072 842.19285
2845.0000 -177.15959 -169.80119 7.35840 2.64659 -169.12241 874.69843
2850.0000 -179.62926 -170.52672 9.10254 2.59889 -169.95560 829.38103
2855.0000 -176.04733 -168.26353 7.78380 2.58778 -170.14963 832.35196
2860.0000 -177.96800 -168.72223 9.24576 2.73448 -167.58721 909.08800
2865.0000 -176.87650 -170.56267 6.31383 2.60854 -169.78691 813.73171
2870.0000 -179.03847 -169.95142 9.08705 2.61273 -169.71371 841.41900
2875.0000 -177.45786 -169.21870 8.23916 2.63005 -169.41130 860.37597
2880.0000 -177.62743 -169.98681 7.64062 2.63150 -169.38594 860.08687
2885.0000 -178.41855 -170.44153 7.97702 2.54017 -170.98122 815.26664
2890.0000 -177.29432 -169.86835 7.42597 2.60257 -169.89125 830.92215
2895.0000 -177.20340 -169.54513 7.65826 2.57091 -170.44421 811.33606
2900.0000 -177.96923 -168.68393 9.28531 2.63372 -169.34716 859.57048
2905.0000 -176.63389 -167.61599 9.01790 2.69458 -168.28405 902.09469
2910.0000 -177.60185 -169.26052 8.34133 2.71890 -167.85931 920.08325
2915.0000 -176.92964 -168.86214 8.06751 2.66710 -168.76404 872.62840
2920.0000 -176.79976 -168.76824 8.03152 2.65016 -169.05992 867.97327
2925.0000 -175.96257 -168.37989 7.58268 2.67648 -168.60031 855.53051
2930.0000 -179.11684 -171.66220 7.45464 2.60810 -169.79461 848.81481
2935.0000 -178.93597 -171.16289 7.77308 2.47427 -172.13223 771.61280
2940.0000 -178.34776 -171.47832 6.86944 2.55352 -170.74794 797.57079
2945.0000 -177.13902 -169.90032 7.23870 2.56058 -170.62474 816.32667
2950.0000 -176.71400 -168.76070 7.95330 2.65983 -168.89101 896.55626
2955.0000 -178.66125 -170.55975 8.10150 2.59536 -170.01710 812.98158
2960.0000 -178.79397 -171.04520 7.74877 2.57187 -170.42746 831.60826
2965.0000 -179.29603 -171.06448 8.23155 2.53872 -171.00647 804.15022
2970.0000 -180.35412 -172.40064 7.95349 2.53572 -171.05883 820.40651
2975.0000 -177.21830 -169.67356 7.54475 2.55897 -170.65286 812.63424
2980.0000 -177.04386 -169.38771 7.65616 2.62418 -169.51369 840.55650
2985.0000 -179.46517 -172.78675 6.67841 2.56101 -170.61715 810.54785
2990.0000 -180.70456 -174.07164 6.63292 2.35228 -174.26297 691.80059
2995.0000 -178.30213 -170.87715 7.42498 2.42476 -172.99700 706.12905
3000.0000 -176.57749 -169.76115 6.81634 2.55904 -170.65157 811.31582
FREEZING PROCESS: loop number 13 T-loop= 803.00000000000000
main_MD> interactions number 13 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10023 -2.73140 1.10143
force_rgl> df(natom) -1.31346 0.71667 0.34409
3005.0000 -179.00457 -171.65010 7.35447 2.51471 -171.42581 779.13721
3010.0000 -177.68692 -168.31775 9.36917 2.56538 -170.54080 815.60987
3015.0000 -178.42317 -171.23294 7.19023 2.59755 -169.97888 816.76098
3020.0000 -177.95178 -170.08647 7.86531 2.57258 -170.41515 802.81300
3025.0000 -177.56281 -169.53350 8.02930 2.59856 -169.96122 840.46833
3030.0000 -178.58013 -170.65734 7.92280 2.56451 -170.55597 828.32610
3035.0000 -177.78990 -168.89399 8.89590 2.59510 -170.02176 838.81793
3040.0000 -178.37351 -170.27484 8.09867 2.60372 -169.87108 835.84455
3045.0000 -178.09578 -170.03554 8.06024 2.56314 -170.57987 801.68286
3050.0000 -178.55672 -170.97053 7.58618 2.56909 -170.47603 837.83596
3055.0000 -178.72593 -170.13596 8.58997 2.55170 -170.77977 800.86465
3060.0000 -177.83784 -171.05551 6.78233 2.55995 -170.63561 792.07461
3065.0000 -179.05977 -171.54699 7.51278 2.52544 -171.23847 786.73316
3070.0000 -178.83363 -171.21172 7.62190 2.54508 -170.89540 818.37397
3075.0000 -178.49352 -171.45910 7.03442 2.54343 -170.92419 756.72940
3080.0000 -177.73566 -170.91629 6.81937 2.53982 -170.98735 775.77916
3085.0000 -177.50927 -170.72905 6.78022 2.57825 -170.31600 831.42025
3090.0000 -177.78888 -171.05247 6.73641 2.56952 -170.46855 817.87390
3095.0000 -177.02242 -169.20719 7.81522 2.61051 -169.75251 838.08637
3100.0000 -177.90483 -170.12488 7.77994 2.59419 -170.03755 841.44730
3105.0000 -177.89755 -169.78828 8.10927 2.60266 -169.88968 822.27255
3110.0000 -177.02335 -169.01502 8.00833 2.60167 -169.90687 836.66967
3115.0000 -178.33452 -170.14563 8.18889 2.60414 -169.86380 854.47657
3120.0000 -178.44681 -169.64176 8.80505 2.58776 -170.14999 837.95208
3125.0000 -178.96296 -171.24190 7.72106 2.56408 -170.56361 821.07063
3130.0000 -179.78304 -171.65902 8.12401 2.50758 -171.55039 772.31433
3135.0000 -179.01868 -171.56104 7.45765 2.51124 -171.48653 800.85736
3140.0000 -177.02872 -171.35179 5.67693 2.50566 -171.58396 766.66545
3145.0000 -178.26358 -170.46582 7.79776 2.55377 -170.74365 806.59347
3150.0000 -177.95842 -170.84331 7.11510 2.58134 -170.26205 812.79106
3155.0000 -177.25340 -170.00655 7.24686 2.50672 -171.56541 749.64540
3160.0000 -177.02609 -169.30171 7.72439 2.61301 -169.70892 850.33751
3165.0000 -178.60959 -170.97497 7.63462 2.60101 -169.91847 831.24374
3170.0000 -180.14659 -172.48941 7.65718 2.53372 -171.09384 820.99956
3175.0000 -180.98266 -173.84250 7.14015 2.40878 -173.27613 709.21588
3180.0000 -179.28173 -171.05096 8.23077 2.44572 -172.63083 772.11460
3185.0000 -179.74302 -170.71041 9.03262 2.52605 -171.22774 818.91399
3190.0000 -179.31427 -171.98319 7.33108 2.52406 -171.26248 826.06986
3195.0000 -178.02925 -169.25007 8.77919 2.59304 -170.05778 868.24655
3200.0000 -177.55603 -169.30246 8.25358 2.66114 -168.86817 864.06702
3205.0000 -178.24522 -168.96322 9.28201 2.65773 -168.92775 887.47664
3210.0000 -178.28164 -170.37775 7.90389 2.62292 -169.53586 854.75783
3215.0000 -179.28487 -172.40073 6.88414 2.50119 -171.66197 767.06846
3220.0000 -176.99023 -170.40492 6.58530 2.50883 -171.52857 796.57216
3225.0000 -179.10889 -171.17072 7.93817 2.52488 -171.24820 804.45913
3230.0000 -178.76932 -171.12986 7.63947 2.53092 -171.14269 789.11027
3235.0000 -179.26723 -171.50939 7.75784 2.53949 -170.99304 803.86777
3240.0000 -177.82446 -170.32486 7.49960 2.49531 -171.76469 772.81677
3245.0000 -178.04665 -171.24036 6.80629 2.54985 -170.81207 794.64727
3250.0000 -179.65242 -172.24242 7.41000 2.45268 -172.50928 734.63298
FREEZING PROCESS: loop number 14 T-loop= 778.00000000000000
main_MD> interactions number 14 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00800 -3.64414 -5.85658
force_rgl> df(natom) -0.02289 2.19574 5.19661
3255.0000 -178.91594 -171.17059 7.74535 2.46704 -172.25859 758.49909
3260.0000 -178.13223 -172.30948 5.82274 2.48625 -171.92299 747.09785
3265.0000 -179.85704 -173.35828 6.49877 2.41826 -173.11059 732.41388
3270.0000 -179.34260 -171.72197 7.62064 2.48817 -171.88953 790.82112
3275.0000 -178.51906 -170.43647 8.08259 2.52565 -171.23472 796.31377
3280.0000 -176.79148 -169.80261 6.98886 2.60050 -169.92730 846.33970
3285.0000 -177.22917 -169.71726 7.51190 2.56058 -170.62463 807.10811
3290.0000 -178.77860 -171.20584 7.57276 2.56943 -170.47013 825.54003
3295.0000 -179.08074 -171.67232 7.40842 2.46444 -172.30401 748.67872
3300.0000 -178.92502 -171.64507 7.27996 2.51794 -171.36953 788.82081
3305.0000 -178.02300 -169.48445 8.53855 2.58453 -170.20632 836.86799
3310.0000 -179.49066 -171.56900 7.92166 2.56531 -170.54200 830.73359
3315.0000 -178.12637 -170.42433 7.70204 2.52190 -171.30028 809.22545
3320.0000 -177.25315 -170.57969 6.67346 2.51620 -171.39984 779.43904
3325.0000 -176.93186 -170.20621 6.72565 2.54507 -170.89550 795.40228
3330.0000 -178.62704 -170.96060 7.66644 2.54329 -170.92669 785.74292
3335.0000 -177.50663 -171.25057 6.25605 2.53828 -171.01421 790.82138
3340.0000 -178.30550 -171.09380 7.21170 2.52582 -171.23173 783.33438
3345.0000 -177.63614 -169.74603 7.89011 2.55774 -170.67423 782.81851
3350.0000 -179.07989 -172.11029 6.96961 2.53376 -171.09311 772.22542
3355.0000 -179.49195 -171.97157 7.52039 2.49076 -171.84421 779.18927
3360.0000 -179.17843 -171.70894 7.46949 2.48623 -171.92331 767.49779
3365.0000 -178.64992 -171.24184 7.40809 2.48047 -172.02397 765.05620
3370.0000 -179.99742 -173.21322 6.78419 2.52325 -171.27676 770.69625
3375.0000 -179.99702 -171.94806 8.04896 2.42872 -172.92782 705.63843
3380.0000 -177.71747 -169.06115 8.65632 2.56349 -170.57378 804.86471
3385.0000 -177.26478 -170.97727 6.28751 2.55132 -170.78642 816.61830
3390.0000 -178.65809 -170.21707 8.44102 2.60297 -169.88425 840.32006
3395.0000 -178.79977 -170.09832 8.70145 2.59518 -170.02030 864.22970
3400.0000 -178.30541 -170.07363 8.23178 2.59201 -170.07562 804.84649
3405.0000 -177.70824 -170.06098 7.64725 2.59721 -169.98478 844.82506
3410.0000 -180.20766 -171.51903 8.68862 2.53472 -171.07632 766.51665
3415.0000 -177.64567 -170.00418 7.64149 2.57422 -170.38639 829.28621
3420.0000 -178.47876 -171.30378 7.17498 2.54826 -170.83985 804.72418
3425.0000 -179.41877 -171.61699 7.80178 2.51333 -171.44997 776.47416
3430.0000 -177.95145 -171.60143 6.35002 2.49178 -171.82641 778.07601
3435.0000 -180.39207 -172.98417 7.40790 2.46949 -172.21565 730.64636
3440.0000 -177.76996 -170.37845 7.39151 2.51255 -171.46360 790.56542
3445.0000 -178.66102 -171.59646 7.06456 2.54433 -170.90850 810.51040
3450.0000 -177.18382 -169.44048 7.74334 2.54498 -170.89709 809.22465
3455.0000 -177.72244 -169.39549 8.32695 2.61824 -169.61754 830.03536
3460.0000 -179.03392 -171.51973 7.51419 2.57524 -170.36860 797.14836
3465.0000 -177.61639 -171.05635 6.56004 2.48349 -171.97125 765.29113
3470.0000 -179.06692 -171.57714 7.48978 2.50536 -171.58926 747.12122
3475.0000 -178.87163 -170.94252 7.92911 2.46456 -172.30175 757.92171
3480.0000 -178.50232 -170.48853 8.01379 2.56478 -170.55124 823.09730
3485.0000 -179.14167 -172.18962 6.95205 2.46995 -172.20775 762.25258
3490.0000 -179.22601 -170.86937 8.35664 2.47086 -172.19178 759.98748
3495.0000 -178.11463 -171.28898 6.82564 2.52993 -171.16011 776.25842
3500.0000 -178.77982 -171.75697 7.02286 2.52084 -171.31877 770.83578
FREEZING PROCESS: loop number 15 T-loop= 753.00000000000000
main_MD> interactions number 15 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29832 0.24613 -0.00804
force_rgl> df(natom) 1.97583 -2.92275 0.46191
3505.0000 -178.96010 -172.35248 6.60762 2.46125 -172.35961 734.17364
3510.0000 -178.50992 -172.06974 6.44018 2.45998 -172.38185 742.45537
3515.0000 -180.05624 -172.52765 7.52859 2.49153 -171.83078 782.06757
3520.0000 -180.05993 -173.18026 6.87967 2.43198 -172.87094 761.42887
3525.0000 -179.08999 -172.76407 6.32591 2.41059 -173.24455 716.50326
3530.0000 -179.60884 -172.34430 7.26454 2.47237 -172.16543 775.04679
3535.0000 -179.12443 -172.09830 7.02613 2.47982 -172.03535 735.94992
3540.0000 -179.73556 -172.70835 7.02721 2.46716 -172.25646 736.53608
3545.0000 -179.72536 -173.37833 6.34704 2.39648 -173.49090 697.47750
3550.0000 -180.18155 -173.76472 6.41683 2.36815 -173.98585 674.22431
3555.0000 -179.67535 -173.53093 6.14442 2.40729 -173.30211 702.26785
3560.0000 -178.94622 -171.64427 7.30195 2.47102 -172.18897 756.44060
3565.0000 -179.40052 -171.96993 7.43059 2.49332 -171.79941 778.38199
3570.0000 -179.89699 -172.88292 7.01407 2.47095 -172.19023 746.73349
3575.0000 -179.34652 -171.80044 7.54608 2.46298 -172.32951 736.31453
3580.0000 -178.73294 -171.03969 7.69324 2.50274 -171.63488 781.77376
3585.0000 -180.07315 -173.49332 6.57983 2.46386 -172.31404 765.56359
3590.0000 -181.95966 -175.20321 6.75645 2.35917 -174.14264 692.30698
3595.0000 -180.40887 -173.53070 6.87817 2.34211 -174.44071 690.14789
3600.0000 -180.21993 -173.68655 6.53338 2.38816 -173.63625 695.06217
3605.0000 -180.62769 -173.31436 7.31333 2.38685 -173.65915 709.46624
3610.0000 -178.83563 -171.91337 6.92226 2.44039 -172.72402 730.11125
3615.0000 -178.64890 -171.23603 7.41287 2.49905 -171.69935 757.40798
3620.0000 -178.84625 -171.98739 6.85886 2.51966 -171.33949 795.02077
3625.0000 -179.13509 -171.67061 7.46448 2.53056 -171.14898 813.48764
3630.0000 -179.07568 -172.45608 6.61960 2.49068 -171.84555 756.12822
3635.0000 -179.47719 -173.23083 6.24636 2.43982 -172.73396 743.41908
3640.0000 -179.28690 -172.22135 7.06556 2.43448 -172.82728 707.06016
3645.0000 -177.94244 -171.51123 6.43121 2.54810 -170.84271 793.54960
3650.0000 -178.64580 -171.15219 7.49361 2.50528 -171.59051 768.32247
3655.0000 -179.20377 -172.19370 7.01007 2.51539 -171.41399 768.38464
3660.0000 -179.27699 -172.13303 7.14397 2.49226 -171.81795 761.50588
3665.0000 -178.76595 -171.49780 7.26814 2.49512 -171.76808 766.78824
3670.0000 -180.79345 -172.54814 8.24531 2.50150 -171.65663 777.53179
3675.0000 -179.21500 -171.52281 7.69218 2.45956 -172.38922 744.52586
3680.0000 -178.86130 -171.58972 7.27158 2.50465 -171.60165 786.00384
3685.0000 -178.73395 -170.84427 7.88968 2.52719 -171.20789 811.11075
3690.0000 -178.54413 -171.62887 6.91525 2.51930 -171.34573 783.61159
3695.0000 -178.34741 -171.46084 6.88657 2.48099 -172.01488 743.44940
3700.0000 -178.89678 -171.65242 7.24436 2.49019 -171.85423 752.69333
3705.0000 -178.27560 -171.08937 7.18622 2.55486 -170.72466 822.77283
3710.0000 -178.86669 -171.10197 7.76473 2.51575 -171.40767 793.63727
3715.0000 -178.86849 -170.95495 7.91355 2.55604 -170.70398 806.81394
3720.0000 -179.19314 -173.18723 6.00590 2.45487 -172.47115 740.65776
3725.0000 -180.85381 -174.63744 6.21637 2.41473 -173.17217 710.15580
3730.0000 -180.65085 -173.25003 7.40081 2.35523 -174.21140 687.70947
3735.0000 -181.34295 -175.21547 6.12748 2.39010 -173.60250 691.84801
3740.0000 -178.46772 -172.19028 6.27744 2.39565 -173.50548 699.11037
3745.0000 -178.07085 -170.52749 7.54336 2.48418 -171.95913 741.11218
3750.0000 -178.57352 -171.94632 6.62720 2.50364 -171.61924 777.17912
FREEZING PROCESS: loop number 16 T-loop= 728.00000000000000
main_MD> interactions number 16 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.23065 1.02895 -0.82750
force_rgl> df(natom) -5.59410 -0.07622 2.01452
3755.0000 -180.10276 -172.86847 7.23430 2.44759 -172.59825 733.18080
3760.0000 -179.73119 -172.14472 7.58646 2.48905 -171.87412 780.36692
3765.0000 -179.29104 -171.76390 7.52714 2.44311 -172.67658 707.41345
3770.0000 -179.73629 -171.73005 8.00623 2.49014 -171.85501 766.73102
3775.0000 -179.67839 -173.26525 6.41314 2.47029 -172.20168 776.52864
3780.0000 -180.09135 -172.66654 7.42480 2.42387 -173.01261 714.18886
3785.0000 -180.50636 -173.48496 7.02140 2.43440 -172.82857 727.14119
3790.0000 -181.61338 -175.17101 6.44237 2.38130 -173.75621 658.73786
3795.0000 -181.03886 -174.11707 6.92179 2.35896 -174.14635 668.97118
3800.0000 -179.82013 -173.24864 6.57148 2.41250 -173.21124 708.40953
3805.0000 -181.15660 -173.65583 7.50078 2.39035 -173.59811 723.09553
3810.0000 -180.95264 -174.52119 6.43145 2.32677 -174.70852 637.90573
3815.0000 -180.08024 -173.08123 6.99901 2.39438 -173.52772 704.55376
3820.0000 -179.91613 -173.32741 6.58872 2.39731 -173.47657 709.36844
3825.0000 -179.91148 -172.63988 7.27160 2.40113 -173.40968 713.73168
3830.0000 -179.34034 -173.06822 6.27212 2.45069 -172.54402 733.97758
3835.0000 -179.47591 -172.62241 6.85350 2.42546 -172.98481 724.32159
3840.0000 -180.80878 -174.35780 6.45097 2.38804 -173.63843 693.69624
3845.0000 -180.10004 -174.38829 5.71175 2.33833 -174.50669 677.47754
3850.0000 -179.55614 -173.07590 6.48025 2.36428 -174.05349 695.22561
3855.0000 -181.34104 -174.10838 7.23266 2.37199 -173.91876 695.25271
3860.0000 -179.26023 -171.97332 7.28692 2.38890 -173.62337 715.52422
3865.0000 -178.91870 -173.02915 5.88955 2.46005 -172.38058 723.76699
3870.0000 -179.09310 -171.33376 7.75934 2.41403 -173.18451 697.78325
3875.0000 -180.12349 -173.64293 6.48056 2.41296 -173.20304 732.02426
3880.0000 -180.14347 -173.29769 6.84578 2.39144 -173.57893 701.51602
3885.0000 -179.41401 -173.55804 5.85598 2.39435 -173.52816 710.14547
3890.0000 -181.03101 -174.20232 6.82869 2.33934 -174.48900 667.66340
3895.0000 -180.89745 -174.69623 6.20122 2.37695 -173.83218 714.67812
3900.0000 -181.09927 -174.53789 6.56137 2.30794 -175.03744 647.07894
3905.0000 -180.76387 -173.51722 7.24666 2.35043 -174.29533 694.77638
3910.0000 -181.52559 -173.96942 7.55617 2.35134 -174.27950 671.88643
3915.0000 -179.43306 -173.10237 6.33069 2.35646 -174.19005 673.55506
3920.0000 -179.13596 -172.01033 7.12562 2.44070 -172.71860 730.76376
3925.0000 -179.49254 -172.36996 7.12258 2.48008 -172.03071 755.11793
3930.0000 -178.49117 -171.19837 7.29280 2.52754 -171.20177 810.67845
3935.0000 -180.71100 -171.75074 8.96027 2.47865 -172.05577 740.04181
3940.0000 -179.93829 -173.34001 6.59829 2.48147 -172.00653 769.01138
3945.0000 -180.85548 -172.98923 7.86625 2.40259 -173.38430 714.18897
3950.0000 -178.48459 -172.30759 6.17699 2.46006 -172.38039 753.98990
3955.0000 -180.30606 -174.62488 5.68119 2.40483 -173.34522 722.84772
3960.0000 -180.67579 -174.64079 6.03500 2.36910 -173.96924 675.31065
3965.0000 -179.28702 -172.42393 6.86309 2.38722 -173.65264 705.32512
3970.0000 -180.00884 -173.37988 6.62896 2.45698 -172.43415 739.13158
3975.0000 -180.89773 -173.71044 7.18729 2.41396 -173.18562 714.38475
3980.0000 -178.83020 -171.94912 6.88108 2.43061 -172.89480 743.14801
3985.0000 -179.46253 -171.69315 7.76938 2.46247 -172.33833 760.85537
3990.0000 -178.81752 -172.54583 6.27169 2.45356 -172.49393 764.07039
3995.0000 -180.52000 -173.70145 6.81855 2.41471 -173.17262 694.54908
4000.0000 -180.36704 -173.20796 7.15908 2.38925 -173.61724 681.57012
FREEZING PROCESS: loop number 17 T-loop= 703.00000000000000
main_MD> interactions number 17 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85332 -4.23418 1.86276
force_rgl> df(natom) -1.62620 -1.66641 -1.45738
4005.0000 -179.12542 -172.74560 6.37982 2.41800 -173.11502 705.71178
4010.0000 -179.72464 -173.41673 6.30791 2.41465 -173.17358 694.22495
4015.0000 -179.90382 -173.57782 6.32599 2.42483 -172.99585 703.81598
4020.0000 -180.96833 -175.02400 5.94432 2.35821 -174.15939 677.63220
4025.0000 -180.17389 -173.70479 6.46910 2.36814 -173.98596 684.73821
4030.0000 -180.36713 -173.38330 6.98383 2.38586 -173.67644 708.81199
4035.0000 -180.45419 -174.19983 6.25436 2.35427 -174.22818 665.45710
4040.0000 -180.90923 -173.90682 7.00240 2.39190 -173.57105 685.41191
4045.0000 -181.62347 -173.53962 8.08385 2.39181 -173.57252 717.73159
4050.0000 -179.67983 -172.49639 7.18344 2.39647 -173.49113 729.97996
4055.0000 -179.78675 -172.33738 7.44937 2.47460 -172.12642 764.65676
4060.0000 -180.29824 -173.19920 7.09905 2.41456 -173.17525 729.92682
4065.0000 -180.18043 -173.71955 6.46088 2.39310 -173.55007 714.43789
4070.0000 -180.08870 -173.77496 6.31373 2.35130 -174.28006 653.63398
4075.0000 -180.61091 -174.12134 6.48958 2.36504 -174.04008 667.23111
4080.0000 -180.70991 -173.91516 6.79474 2.37515 -173.86356 696.82913
4085.0000 -180.86746 -174.80603 6.06142 2.33231 -174.61177 669.73621
4090.0000 -180.60897 -174.52356 6.08541 2.36025 -174.12380 682.28791
4095.0000 -180.84495 -173.84520 6.99975 2.34478 -174.39399 679.31380
4100.0000 -180.00738 -173.19036 6.81702 2.38383 -173.71195 683.03545
4105.0000 -177.95997 -171.73634 6.22363 2.41433 -173.17919 720.78656
4110.0000 -179.53597 -173.38685 6.14912 2.42849 -172.93180 709.70039
4115.0000 -178.63191 -170.85377 7.77813 2.44697 -172.60913 742.92973
4120.0000 -178.95273 -171.68022 7.27250 2.48592 -171.92883 779.14242
4125.0000 -177.92202 -171.24211 6.67991 2.49605 -171.75176 772.22616
4130.0000 -179.23131 -171.05619 8.17513 2.51226 -171.46867 777.34964
4135.0000 -179.83645 -172.94728 6.88917 2.45442 -172.47895 742.41209
4140.0000 -180.12193 -174.04421 6.07771 2.41506 -173.16637 738.26108
4145.0000 -179.92980 -173.66985 6.25995 2.36709 -174.00437 678.72123
4150.0000 -180.04203 -173.78655 6.25548 2.38798 -173.63940 700.53772
4155.0000 -179.62846 -172.38608 7.24239 2.41826 -173.11059 732.58345
4160.0000 -180.08843 -173.42947 6.65896 2.44058 -172.72062 718.82665
4165.0000 -178.57662 -171.89520 6.68142 2.45053 -172.54685 727.82795
4170.0000 -179.45835 -172.41778 7.04057 2.42950 -172.91419 712.36076
4175.0000 -179.62094 -172.18499 7.43595 2.43559 -172.80777 722.63538
4180.0000 -181.48658 -174.34760 7.13899 2.39687 -173.48423 683.09937
4185.0000 -179.74242 -172.56084 7.18158 2.42882 -172.92617 688.91585
4190.0000 -179.52882 -172.80922 6.71960 2.39741 -173.47476 677.20799
4195.0000 -179.51185 -172.74292 6.76893 2.40423 -173.35553 704.10746
4200.0000 -180.18229 -173.82496 6.35733 2.42683 -172.96085 728.44391
4205.0000 -181.06576 -174.00926 7.05650 2.35726 -174.17601 680.43030
4210.0000 -177.90663 -171.36344 6.54318 2.44406 -172.65982 764.67800
4215.0000 -180.75328 -173.78027 6.97302 2.45947 -172.39075 730.99031
4220.0000 -180.58046 -173.90055 6.67991 2.37110 -173.93427 669.83604
4225.0000 -181.20795 -174.53942 6.66853 2.35160 -174.27487 649.49688
4230.0000 -179.48377 -173.63357 5.85021 2.34653 -174.36340 675.03138
4235.0000 -180.95169 -174.50245 6.44924 2.33172 -174.62221 660.07491
4240.0000 -180.64258 -173.65508 6.98750 2.35989 -174.13011 683.50594
4245.0000 -180.96735 -174.31283 6.65453 2.35943 -174.13820 690.39338
4250.0000 -179.42960 -172.96344 6.46617 2.35364 -174.23923 672.75039
FREEZING PROCESS: loop number 18 T-loop= 678.00000000000000
main_MD> interactions number 18 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90327 1.64573 2.83509
force_rgl> df(natom) 5.44944 1.36590 0.72532
4255.0000 -180.41622 -172.12396 8.29226 2.39799 -173.46456 697.50884
4260.0000 -179.57104 -173.39824 6.17280 2.44537 -172.63703 749.02100
4265.0000 -180.92499 -174.31255 6.61244 2.34834 -174.33184 661.50846
4270.0000 -180.59335 -173.38555 7.20780 2.38022 -173.77504 708.50088
4275.0000 -180.13955 -173.79468 6.34487 2.41281 -173.20580 731.41669
4280.0000 -181.06478 -174.36881 6.69597 2.34632 -174.36716 684.04995
4285.0000 -180.43639 -173.93930 6.49709 2.37084 -173.93887 679.43642
4290.0000 -180.56798 -174.62009 5.94790 2.33918 -174.49177 654.84097
4295.0000 -181.87260 -175.13045 6.74216 2.31566 -174.90273 653.68492
4300.0000 -180.58315 -174.47235 6.11080 2.33816 -174.50968 661.31278
4305.0000 -179.58469 -172.87152 6.71317 2.35774 -174.16759 667.61862
4310.0000 -180.76553 -174.06783 6.69770 2.37538 -173.85959 705.09464
4315.0000 -181.74634 -175.95602 5.79032 2.30664 -175.06015 664.19023
4320.0000 -179.84184 -174.98162 4.86022 2.29346 -175.29041 643.46365
4325.0000 -178.65043 -172.30067 6.34977 2.39996 -173.43012 698.40450
4330.0000 -180.43100 -173.54291 6.88809 2.45080 -172.54212 732.97122
4335.0000 -180.92404 -174.80958 6.11447 2.34413 -174.40539 658.96907
4340.0000 -180.87840 -174.15387 6.72453 2.32390 -174.75866 648.18320
4345.0000 -180.21242 -173.46045 6.75197 2.40363 -173.36610 709.47175
4350.0000 -180.76403 -174.03296 6.73108 2.38379 -173.71259 706.48887
4355.0000 -179.55323 -173.82141 5.73182 2.35646 -174.18999 659.26453
4360.0000 -179.99027 -172.70065 7.28962 2.39000 -173.60417 692.51579
4365.0000 -180.17346 -173.46116 6.71231 2.45715 -172.43126 749.93694
4370.0000 -180.04378 -173.27510 6.76868 2.38989 -173.60603 709.51040
4375.0000 -179.84633 -172.94505 6.90128 2.39566 -173.50536 713.90479
4380.0000 -180.66098 -174.28754 6.37344 2.39923 -173.44294 709.96817
4385.0000 -181.06376 -173.55596 7.50780 2.36056 -174.11835 666.39164
4390.0000 -180.62729 -173.92637 6.70092 2.38444 -173.70131 694.90555
4395.0000 -180.32710 -174.88751 5.43959 2.33406 -174.58129 653.13788
4400.0000 -180.93688 -174.11488 6.82200 2.34532 -174.38457 687.67965
4405.0000 -180.63211 -174.00041 6.63170 2.37120 -173.93250 697.67157
4410.0000 -180.05808 -174.24827 5.80980 2.36353 -174.06657 695.15542
4415.0000 -180.35704 -174.70187 5.65517 2.34292 -174.42657 633.60611
4420.0000 -180.57373 -175.01682 5.55690 2.37368 -173.88924 678.68380
4425.0000 -181.64647 -175.51207 6.13440 2.29600 -175.24600 619.89076
4430.0000 -181.14222 -175.48593 5.65628 2.31525 -174.90973 641.53661
4435.0000 -178.95606 -172.94217 6.01389 2.34652 -174.36356 659.48897
4440.0000 -179.69483 -172.71047 6.98436 2.43134 -172.88214 704.20088
4445.0000 -180.36569 -173.38381 6.98188 2.42884 -172.92580 707.70998
4450.0000 -179.90604 -173.69697 6.20908 2.39755 -173.47230 709.78890
4455.0000 -180.38464 -174.02054 6.36410 2.35920 -174.14209 647.52695
4460.0000 -180.20980 -174.29035 5.91945 2.34504 -174.38955 676.84237
4465.0000 -180.70539 -174.36417 6.34122 2.32607 -174.72089 645.87574
4470.0000 -180.66506 -174.94707 5.71798 2.34216 -174.43976 678.90735
4475.0000 -181.03733 -174.70134 6.33598 2.33826 -174.50783 676.85868
4480.0000 -180.47071 -173.80659 6.66412 2.33413 -174.58006 659.71526
4485.0000 -181.55256 -175.95208 5.60048 2.30981 -175.00486 626.82924
4490.0000 -180.81431 -175.23194 5.58237 2.26635 -175.76396 610.98123
4495.0000 -181.69966 -174.65496 7.04469 2.33801 -174.51228 680.10133
4500.0000 -180.80347 -174.68369 6.11977 2.32049 -174.81823 648.91890
FREEZING PROCESS: loop number 19 T-loop= 653.00000000000000
main_MD> interactions number 19 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59998 -0.52506 -1.89379
force_rgl> df(natom) -2.60437 -0.12863 0.28181
4505.0000 -180.85273 -174.87695 5.97578 2.34148 -174.45173 673.30092
4510.0000 -181.71404 -175.81327 5.90077 2.25908 -175.89093 602.10873
4515.0000 -181.63224 -175.28956 6.34268 2.25575 -175.94904 604.65052
4520.0000 -180.38214 -174.43797 5.94416 2.35731 -174.17517 677.43072
4525.0000 -182.38549 -176.51796 5.86753 2.28158 -175.49788 637.20278
4530.0000 -180.39265 -174.39782 5.99483 2.27429 -175.62527 617.98014
4535.0000 -180.74265 -174.54568 6.19697 2.33217 -174.61433 672.07768
4540.0000 -180.77222 -175.50111 5.27111 2.28858 -175.37559 615.38234
4545.0000 -181.18517 -174.34148 6.84369 2.31315 -174.94646 637.49135
4550.0000 -180.85851 -175.13584 5.72268 2.33368 -174.58791 642.58456
4555.0000 -181.90507 -175.63998 6.26509 2.27829 -175.55531 623.67465
4560.0000 -181.55887 -174.33167 7.22720 2.28915 -175.36570 616.74744
4565.0000 -181.33387 -174.58372 6.75015 2.33245 -174.60943 681.47137
4570.0000 -180.57197 -173.96211 6.60985 2.37140 -173.92910 686.59396
4575.0000 -181.47544 -175.51129 5.96415 2.33410 -174.58050 642.25288
4580.0000 -181.97375 -175.04175 6.93200 2.28497 -175.43878 625.89362
4585.0000 -181.57288 -175.44039 6.13249 2.25881 -175.89558 610.74325
4590.0000 -182.46199 -176.73271 5.72928 2.24579 -176.12302 602.37407
4595.0000 -182.35536 -177.15700 5.19836 2.19772 -176.96273 558.99267
4600.0000 -181.94053 -175.91548 6.02504 2.22858 -176.42359 576.72927
4605.0000 -181.17188 -175.10516 6.06672 2.31393 -174.93286 636.25310
4610.0000 -181.50376 -175.89066 5.61310 2.28061 -175.51494 624.26618
4615.0000 -182.54108 -176.52959 6.01149 2.26659 -175.75970 614.12380
4620.0000 -182.20011 -176.59846 5.60165 2.21541 -176.65372 621.25396
4625.0000 -181.78447 -175.69030 6.09418 2.26467 -175.79336 624.44662
4630.0000 -181.58681 -175.24114 6.34567 2.27697 -175.57849 650.84914
4635.0000 -181.53259 -175.50093 6.03167 2.30194 -175.14225 642.46180
4640.0000 -181.09936 -174.09845 7.00091 2.32955 -174.65996 650.38482
4645.0000 -181.10143 -175.25932 5.84212 2.27298 -175.64811 656.48122
4650.0000 -180.91172 -176.02717 4.88456 2.26640 -175.76301 620.05774
4655.0000 -181.86264 -175.19709 6.66555 2.27821 -175.55675 614.07047
4660.0000 -182.04229 -175.44236 6.59993 2.35121 -174.28163 684.01867
4665.0000 -181.34021 -174.56212 6.77810 2.30520 -175.08536 668.93030
4670.0000 -180.14180 -174.31826 5.82354 2.27843 -175.55296 610.50587
4675.0000 -180.03093 -173.10793 6.92301 2.36280 -174.07931 681.11319
4680.0000 -180.85085 -174.01803 6.83282 2.35148 -174.27699 687.00656
4685.0000 -181.23535 -174.89429 6.34106 2.32266 -174.78034 663.22150
4690.0000 -180.90881 -173.63461 7.27421 2.34954 -174.31090 679.31625
4695.0000 -181.35412 -174.85808 6.49604 2.35806 -174.16214 698.88893
4700.0000 -182.48496 -174.87396 7.61100 2.31638 -174.89015 686.83958
4705.0000 -180.57179 -174.04655 6.52524 2.35874 -174.15022 668.46854
4710.0000 -181.49546 -175.38084 6.11462 2.30627 -175.06670 630.13539
4715.0000 -180.21987 -174.33400 5.88587 2.34189 -174.44458 667.66032
4720.0000 -182.44569 -176.40253 6.04317 2.28441 -175.44843 632.35965
4725.0000 -181.39218 -174.67405 6.71814 2.27244 -175.65760 643.98624
4730.0000 -179.61636 -172.97614 6.64022 2.38432 -173.70341 679.42932
4735.0000 -180.26531 -174.76193 5.50337 2.42960 -172.91242 711.60633
4740.0000 -182.18426 -174.94940 7.23486 2.28604 -175.42000 635.80448
4745.0000 -181.01950 -173.63592 7.38358 2.36415 -174.05576 705.43651
4750.0000 -180.53357 -174.89910 5.63447 2.32124 -174.80512 652.84729
FREEZING PROCESS: loop number 20 T-loop= 628.00000000000000
main_MD> interactions number 20 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.64620 1.06106 3.44331
force_rgl> df(natom) 0.94111 -3.40728 -0.20326
4755.0000 -180.91480 -175.28860 5.62620 2.30578 -175.07517 646.36268
4760.0000 -181.14931 -175.57488 5.57443 2.28350 -175.46437 622.90298
4765.0000 -181.89367 -175.67528 6.21839 2.29510 -175.26170 636.27495
4770.0000 -182.06252 -176.71907 5.34344 2.24997 -176.05004 615.57179
4775.0000 -182.09679 -174.97785 7.11894 2.28199 -175.49080 639.86655
4780.0000 -180.78050 -174.86802 5.91249 2.32229 -174.78677 648.28931
4785.0000 -180.93085 -176.13899 4.79187 2.29270 -175.30368 617.56663
4790.0000 -182.11263 -176.07633 6.03631 2.26181 -175.84325 598.81324
4795.0000 -181.27271 -174.82707 6.44565 2.28105 -175.50722 654.57680
4800.0000 -182.61845 -176.03143 6.58701 2.28705 -175.40232 636.30591
4805.0000 -181.74377 -175.59609 6.14768 2.29289 -175.30039 642.05640
4810.0000 -181.17753 -174.68156 6.49597 2.30996 -175.00230 638.38217
4815.0000 -181.42004 -174.53685 6.88319 2.31697 -174.87969 644.03772
4820.0000 -181.38385 -174.60885 6.77500 2.34311 -174.42316 683.63184
4825.0000 -181.47562 -175.63585 5.83977 2.25408 -175.97825 623.56021
4830.0000 -181.01124 -175.44141 5.56982 2.22963 -176.40533 582.78505
4835.0000 -181.63454 -175.83077 5.80377 2.30847 -175.02825 657.54852
4840.0000 -182.83737 -177.51363 5.32374 2.23154 -176.37196 653.51418
4845.0000 -181.89618 -176.32799 5.56819 2.19712 -176.97311 604.11184
4850.0000 -181.33273 -175.27093 6.06180 2.24583 -176.12238 626.11988
4855.0000 -182.05948 -174.92825 7.13123 2.31181 -174.96982 671.85991
4860.0000 -181.49194 -175.87203 5.61992 2.27078 -175.68654 619.77850
4865.0000 -180.98265 -175.23928 5.74337 2.28417 -175.45272 621.36520
4870.0000 -180.85961 -175.32313 5.53648 2.32071 -174.81438 653.43583
4875.0000 -181.23624 -175.63410 5.60214 2.26936 -175.71136 619.58582
4880.0000 -181.75498 -176.28123 5.47375 2.24307 -176.17052 597.27224
4885.0000 -181.02340 -174.18254 6.84086 2.31465 -174.92027 654.43324
4890.0000 -181.07448 -175.34750 5.72698 2.32962 -174.65888 696.11258
4895.0000 -181.03480 -175.69333 5.34147 2.28331 -175.46778 653.58242
4900.0000 -182.76753 -177.59445 5.17308 2.21947 -176.58284 579.68977
4905.0000 -182.45999 -176.88042 5.57957 2.17977 -177.27619 550.24611
4910.0000 -183.09716 -177.28394 5.81321 2.16078 -177.60798 546.02217
4915.0000 -182.11899 -175.96100 6.15799 2.23270 -176.35167 612.13691
4920.0000 -182.38779 -176.17920 6.20859 2.25675 -175.93160 630.06597
4925.0000 -181.62781 -175.29851 6.32930 2.24114 -176.20424 619.68251
4930.0000 -180.81702 -174.33412 6.48290 2.33791 -174.51394 663.67423
4935.0000 -181.52092 -175.35292 6.16800 2.35060 -174.29239 667.16032
4940.0000 -181.29847 -175.30549 5.99297 2.27251 -175.65633 626.99104
4945.0000 -181.63194 -175.79277 5.83917 2.26229 -175.83495 610.19993
4950.0000 -182.28577 -175.63892 6.64685 2.23076 -176.38567 594.30142
4955.0000 -181.35498 -175.58741 5.76756 2.27555 -175.60327 641.48591
4960.0000 -181.42397 -174.85059 6.57339 2.31201 -174.96639 675.62034
4965.0000 -182.38635 -176.06001 6.32633 2.24556 -176.12706 607.71284
4970.0000 -181.49774 -176.04915 5.44859 2.27019 -175.69686 639.52403
4975.0000 -181.24516 -175.12010 6.12507 2.28890 -175.37011 633.95126
4980.0000 -181.75562 -175.92090 5.83473 2.24816 -176.08171 621.63027
4985.0000 -182.57430 -175.81546 6.75884 2.25730 -175.92195 617.88962
4990.0000 -182.81970 -176.61625 6.20345 2.21263 -176.70228 601.60188
4995.0000 -181.91072 -176.47273 5.43799 2.21866 -176.59688 598.97063
5000.0000 -182.08741 -176.30835 5.77906 2.26048 -175.86641 591.91708
FREEZING PROCESS: loop number 21 T-loop= 603.00000000000000
main_MD> interactions number 21 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22008 1.55871 0.34792
force_rgl> df(natom) 1.09287 1.49090 1.40788
5005.0000 -180.19862 -174.39095 5.80766 2.27391 -175.63196 621.69139
5010.0000 -181.88094 -176.80474 5.07621 2.28063 -175.51451 623.76201
5015.0000 -182.96911 -178.09878 4.87033 2.17404 -177.37636 553.50009
5020.0000 -183.07178 -178.01372 5.05806 2.15204 -177.76052 554.99002
5025.0000 -182.59124 -177.29157 5.29968 2.14174 -177.94051 553.29780
5030.0000 -181.16391 -176.11055 5.05336 2.20042 -176.91551 592.98558
5035.0000 -182.65060 -176.44272 6.20788 2.24178 -176.19319 604.20035
5040.0000 -182.71040 -176.82432 5.88609 2.22309 -176.51951 596.69259
5045.0000 -182.97097 -177.82489 5.14608 2.18774 -177.13707 599.97646
5050.0000 -183.20083 -177.62475 5.57609 2.13550 -178.04941 569.81549
5055.0000 -183.52806 -177.52988 5.99818 2.14860 -177.82062 582.10995
5060.0000 -183.01305 -177.22063 5.79242 2.20518 -176.83244 612.78369
5065.0000 -182.05692 -176.49811 5.55880 2.20175 -176.89232 586.40253
5070.0000 -182.33656 -176.54937 5.78719 2.21129 -176.72559 589.28228
5075.0000 -182.11976 -176.41109 5.70867 2.23987 -176.22641 617.80659
5080.0000 -182.17683 -176.35090 5.82593 2.23924 -176.23751 624.12061
5085.0000 -180.91815 -173.92745 6.99070 2.29886 -175.19606 689.23647
5090.0000 -181.36198 -175.44741 5.91458 2.33626 -174.54285 697.71690
5095.0000 -183.05430 -177.04865 6.00566 2.25273 -176.00182 610.93034
5100.0000 -181.28291 -175.62838 5.65453 2.23935 -176.23555 562.69621
5105.0000 -180.46241 -174.85931 5.60310 2.30121 -175.15498 641.46033
5110.0000 -182.49688 -175.89505 6.60182 2.27033 -175.69443 629.19098
5115.0000 -183.15559 -177.77841 5.37718 2.23262 -176.35316 629.44511
5120.0000 -182.23011 -176.13053 6.09958 2.19639 -176.98592 591.85558
5125.0000 -181.62829 -175.65145 5.97684 2.22679 -176.45500 608.83693
5130.0000 -181.58883 -176.13707 5.45175 2.29523 -175.25951 633.08246
5135.0000 -182.59374 -177.09402 5.49972 2.21417 -176.67538 578.07139
5140.0000 -182.11107 -177.15627 4.95480 2.21686 -176.62837 571.84308
5145.0000 -181.66046 -175.67484 5.98562 2.21362 -176.68493 581.25274
5150.0000 -182.35945 -176.26765 6.09180 2.25564 -175.95097 619.07819
5155.0000 -182.61555 -176.78637 5.82919 2.23557 -176.30151 612.67648
5160.0000 -180.85910 -174.77309 6.08601 2.24356 -176.16198 615.80749
5165.0000 -181.16307 -174.92483 6.23824 2.36017 -174.12519 685.97534
5170.0000 -182.72073 -175.87010 6.85063 2.27883 -175.54604 649.08081
5175.0000 -181.34864 -175.19074 6.15790 2.29863 -175.20006 661.23680
5180.0000 -180.59984 -175.55136 5.04848 2.30534 -175.08289 646.62927
5185.0000 -181.84913 -175.59558 6.25356 2.26610 -175.76837 630.31770
5190.0000 -181.50431 -175.57395 5.93036 2.31714 -174.87683 675.51101
5195.0000 -182.50991 -176.96425 5.54566 2.22864 -176.42255 627.37324
5200.0000 -181.80658 -176.52979 5.27679 2.20704 -176.79991 582.29159
5205.0000 -182.69922 -177.11546 5.58376 2.24321 -176.16815 598.78491
5210.0000 -182.60856 -178.07555 4.53301 2.19200 -177.06268 563.55173
5215.0000 -181.43839 -176.49790 4.94049 2.18685 -177.15253 577.86275
5220.0000 -182.32545 -176.45135 5.87410 2.22461 -176.49293 618.57803
5225.0000 -182.92187 -177.60093 5.32094 2.19142 -177.07267 580.97208
5230.0000 -181.85284 -176.73776 5.11508 2.22901 -176.41613 594.42915
5235.0000 -182.06562 -176.17496 5.89066 2.22546 -176.47811 579.70692
5240.0000 -181.19623 -174.96663 6.22960 2.26114 -175.85492 621.63216
5245.0000 -181.40589 -176.53238 4.87351 2.30060 -175.16571 653.61926
5250.0000 -182.56296 -176.58920 5.97376 2.19391 -177.02930 607.35524
FREEZING PROCESS: loop number 22 T-loop= 578.00000000000000
main_MD> interactions number 22 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39756 2.25569 0.55328
force_rgl> df(natom) -0.04998 0.78131 -1.66924
5255.0000 -182.58115 -176.44664 6.13451 2.22354 -176.51167 614.62716
5260.0000 -182.32607 -177.02828 5.29780 2.19827 -176.95304 570.57904
5265.0000 -182.19567 -177.43154 4.76413 2.22257 -176.52861 601.06585
5270.0000 -183.41527 -178.74248 4.67279 2.11851 -178.34622 531.05108
5275.0000 -182.76680 -177.85845 4.90835 2.12246 -178.27726 533.55734
5280.0000 -182.90211 -177.08595 5.81616 2.18001 -177.27212 562.08751
5285.0000 -181.65236 -175.98175 5.67061 2.22310 -176.51934 584.81098
5290.0000 -182.02608 -176.09259 5.93348 2.29416 -175.27819 655.64755
5295.0000 -181.79492 -175.77608 6.01884 2.22753 -176.44194 570.27141
5300.0000 -182.25560 -176.99609 5.25951 2.24598 -176.11971 591.52601
5305.0000 -182.03728 -176.68182 5.35546 2.20376 -176.85721 580.44896
5310.0000 -181.06931 -174.44967 6.61963 2.23740 -176.26968 594.08833
5315.0000 -181.30466 -175.89381 5.41085 2.28178 -175.49435 621.35133
5320.0000 -183.00378 -177.39169 5.61209 2.19361 -177.03440 580.11898
5325.0000 -182.10098 -176.72135 5.37963 2.17407 -177.37576 558.34102
5330.0000 -182.76793 -177.79178 4.97615 2.16678 -177.50316 540.40109
5335.0000 -182.67882 -177.11709 5.56173 2.16207 -177.58538 555.74516
5340.0000 -182.10156 -176.00163 6.09994 2.22968 -176.40451 605.50745
5345.0000 -182.07892 -176.45298 5.62594 2.22400 -176.50365 592.92164
5350.0000 -182.45081 -176.19958 6.25123 2.24137 -176.20026 598.45104
5355.0000 -183.16518 -177.33264 5.83254 2.19020 -177.09400 562.49940
5360.0000 -182.59044 -176.85024 5.74020 2.17582 -177.34529 595.24165
5365.0000 -181.57371 -176.62102 4.95269 2.21809 -176.60698 570.36941
5370.0000 -181.44607 -176.04955 5.39652 2.21722 -176.62202 577.12510
5375.0000 -181.62749 -176.71995 4.90754 2.21141 -176.72351 580.75062
5380.0000 -181.15545 -176.11817 5.03728 2.23969 -176.22968 596.04698
5385.0000 -182.72281 -176.31231 6.41050 2.20961 -176.75501 582.00904
5390.0000 -183.16084 -177.74279 5.41804 2.18351 -177.21084 576.55470
5395.0000 -183.06299 -177.29657 5.76643 2.14898 -177.81406 568.94286
5400.0000 -182.41166 -177.18334 5.22831 2.18926 -177.11042 579.85409
5405.0000 -183.29321 -177.60034 5.69287 2.18639 -177.16059 586.74280
5410.0000 -183.47102 -178.93619 4.53484 2.12446 -178.24225 553.31209
5415.0000 -183.88777 -178.80791 5.07986 2.12194 -178.28630 537.30898
5420.0000 -184.48870 -178.30943 6.17927 2.12576 -178.21966 557.88561
5425.0000 -183.74911 -178.97150 4.77761 2.13067 -178.13382 568.04610
5430.0000 -183.90115 -179.73953 4.16162 2.05018 -179.53969 502.73662
5435.0000 -183.82434 -178.25897 5.56537 2.07080 -179.17954 508.38085
5440.0000 -183.72940 -179.15790 4.57149 2.10680 -178.55076 534.90968
5445.0000 -183.87640 -178.56424 5.31216 2.12784 -178.18333 551.81278
5450.0000 -182.71112 -177.81906 4.89206 2.11898 -178.33802 557.77764
5455.0000 -182.28699 -176.88223 5.40476 2.16563 -177.52322 553.85854
5460.0000 -182.46520 -177.28832 5.17688 2.18065 -177.26086 552.79756
5465.0000 -182.68259 -177.74628 4.93631 2.16230 -177.58140 539.66382
5470.0000 -183.45593 -178.23933 5.21659 2.14305 -177.91754 527.46756
5475.0000 -184.01908 -179.00223 5.01684 2.10789 -178.53181 529.72955
5480.0000 -182.95075 -177.87758 5.07317 2.08338 -178.95977 517.21508
5485.0000 -182.91731 -177.11729 5.80002 2.16111 -177.60224 559.45240
5490.0000 -182.11053 -176.15717 5.95336 2.22369 -176.50902 614.21835
5495.0000 -182.44595 -177.19111 5.25484 2.22088 -176.55811 604.71127
5500.0000 -183.47629 -178.10334 5.37295 2.15970 -177.62679 559.75283
FREEZING PROCESS: loop number 23 T-loop= 553.00000000000000
main_MD> interactions number 23 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14758 1.99634 0.99792
force_rgl> df(natom) -2.03285 -1.09847 0.32665
5505.0000 -183.93132 -178.27264 5.65868 2.10362 -178.60627 523.22036
5510.0000 -183.62827 -179.28467 4.34360 2.06737 -179.23943 505.83066
5515.0000 -183.99090 -178.85558 5.13531 2.06807 -179.22732 511.81745
5520.0000 -183.86327 -177.95357 5.90971 2.08408 -178.94771 522.19381
5525.0000 -182.94902 -176.91065 6.03837 2.15476 -177.71304 585.44837
5530.0000 -182.01931 -176.21679 5.80252 2.19874 -176.94494 578.45910
5535.0000 -182.82522 -176.57427 6.25095 2.22007 -176.57223 612.59083
5540.0000 -182.59511 -178.38696 4.20815 2.18513 -177.18259 587.14973
5545.0000 -184.30072 -179.05095 5.24977 2.09608 -178.73799 512.13611
5550.0000 -184.25185 -179.03877 5.21308 2.06503 -179.28036 487.70258
5555.0000 -183.05201 -178.96959 4.08241 2.09063 -178.83322 481.92377
5560.0000 -182.79442 -177.27320 5.52122 2.12156 -178.29299 525.61489
5565.0000 -183.59288 -178.08759 5.50530 2.16684 -177.50212 587.78030
5570.0000 -182.96939 -177.45805 5.51133 2.13186 -178.11313 563.09376
5575.0000 -184.10061 -178.48987 5.61074 2.15403 -177.72590 578.25479
5580.0000 -183.35514 -177.50114 5.85401 2.12313 -178.26554 558.02573
5585.0000 -183.38220 -177.58477 5.79743 2.18374 -177.20689 590.80207
5590.0000 -183.35357 -177.82484 5.52873 2.16914 -177.46185 594.04284
5595.0000 -184.14682 -178.19353 5.95329 2.14493 -177.88484 571.73186
5600.0000 -184.20131 -179.06500 5.13632 2.10639 -178.55799 546.53216
5605.0000 -183.86063 -178.71939 5.14123 2.10236 -178.62841 553.48027
5610.0000 -182.30390 -177.23645 5.06744 2.13515 -178.05565 574.73792
5615.0000 -183.57581 -177.35909 6.21672 2.16419 -177.54830 574.46390
5620.0000 -183.96464 -178.68854 5.27610 2.12324 -178.26356 571.47320
5625.0000 -183.28885 -178.40082 4.88802 2.13578 -178.04459 570.99180
5630.0000 -182.92394 -177.26518 5.65876 2.14121 -177.94966 564.74275
5635.0000 -183.05352 -177.07052 5.98301 2.20547 -176.82728 598.77485
5640.0000 -182.97786 -178.06362 4.91424 2.14503 -177.88299 562.16422
5645.0000 -183.18257 -177.95849 5.22408 2.14212 -177.93377 570.44116
5650.0000 -182.88616 -177.69782 5.18834 2.11878 -178.34146 548.36434
5655.0000 -183.13277 -177.94220 5.19057 2.14224 -177.93169 565.31729
5660.0000 -182.33585 -176.29528 6.04057 2.19448 -177.01933 582.90352
5665.0000 -183.00955 -177.69471 5.31483 2.18346 -177.21176 584.41663
5670.0000 -182.20584 -176.64851 5.55734 2.18991 -177.09913 550.50135
5675.0000 -182.30945 -175.60445 6.70499 2.21985 -176.57622 579.39351
5680.0000 -181.92596 -176.28723 5.63874 2.21037 -176.74169 562.98922
5685.0000 -181.58881 -176.23043 5.35838 2.22043 -176.56595 580.86313
5690.0000 -182.93107 -177.65501 5.27606 2.20154 -176.89602 573.87587
5695.0000 -182.56296 -178.10681 4.45615 2.12923 -178.15908 539.49771
5700.0000 -182.80260 -177.83148 4.97112 2.14761 -177.83794 563.91589
5705.0000 -182.18213 -177.25996 4.92217 2.18923 -177.11093 555.25408
5710.0000 -183.50641 -177.18004 6.32636 2.18446 -177.19422 576.86371
5715.0000 -183.69865 -177.63389 6.06476 2.16125 -177.59969 598.11571
5720.0000 -183.64419 -178.33835 5.30583 2.12935 -178.15688 554.84329
5725.0000 -183.26942 -178.34084 4.92857 2.10853 -178.52053 512.71554
5730.0000 -183.22754 -178.51213 4.71541 2.12908 -178.16157 545.84225
5735.0000 -181.95898 -177.03522 4.92376 2.13333 -178.08730 541.54513
5740.0000 -183.09398 -178.07500 5.01898 2.16874 -177.46895 571.12171
5745.0000 -182.69917 -177.14691 5.55226 2.13801 -178.00568 531.70089
5750.0000 -184.21155 -178.58706 5.62450 2.17495 -177.36038 564.72614
FREEZING PROCESS: loop number 24 T-loop= 528.00000000000000
main_MD> interactions number 24 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24561 -1.07342 0.01345
force_rgl> df(natom) 0.27921 -1.99484 0.01793
5755.0000 -184.00270 -179.30293 4.69977 2.06860 -179.21804 494.43225
5760.0000 -184.88620 -180.31681 4.56939 2.03021 -179.88862 457.55465
5765.0000 -184.14768 -179.60895 4.53872 2.04398 -179.64798 482.83293
5770.0000 -184.45237 -179.30386 5.14850 2.06343 -179.30831 492.46917
5775.0000 -183.95425 -179.50346 4.45078 2.06171 -179.33835 495.66984
5780.0000 -183.92934 -179.13648 4.79286 2.05381 -179.47635 490.17696
5785.0000 -184.55881 -180.58258 3.97623 2.01085 -180.22669 473.45555
5790.0000 -184.98241 -180.57399 4.40842 2.02587 -179.96430 503.71520
5795.0000 -185.18380 -180.19711 4.98668 2.00263 -180.37039 477.47382
5800.0000 -183.89809 -179.16578 4.73231 2.05704 -179.41998 504.13722
5805.0000 -183.98469 -178.92729 5.05740 2.06128 -179.34591 522.06468
5810.0000 -183.57666 -179.26629 4.31037 2.06402 -179.29805 517.17421
5815.0000 -183.22758 -178.83066 4.39691 2.06469 -179.28627 528.76922
5820.0000 -185.16122 -180.11358 5.04765 2.07933 -179.03066 535.16572
5825.0000 -183.58067 -178.93756 4.64312 2.06496 -179.28161 530.40901
5830.0000 -183.90160 -179.38840 4.51321 2.10810 -178.52799 565.82749
5835.0000 -184.12698 -179.42980 4.69719 2.04540 -179.62320 507.30672
5840.0000 -184.32186 -178.72180 5.60006 2.06824 -179.22424 522.39233
5845.0000 -184.95608 -179.97511 4.98097 2.03526 -179.80034 503.23711
5850.0000 -183.86452 -179.07397 4.79054 2.03110 -179.87305 506.05435
5855.0000 -183.96236 -178.27250 5.68986 2.11829 -178.35018 552.99795
5860.0000 -184.26076 -178.69414 5.56661 2.07706 -179.07017 507.86092
5865.0000 -182.25283 -177.19322 5.05961 2.13370 -178.08086 551.60858
5870.0000 -182.05323 -176.28586 5.76737 2.19017 -177.09454 592.62803
5875.0000 -183.56241 -177.79560 5.76681 2.19755 -176.96558 604.30687
5880.0000 -183.31042 -177.50342 5.80700 2.13287 -178.09543 555.11344
5885.0000 -183.49643 -178.04947 5.44696 2.15927 -177.63428 580.51886
5890.0000 -182.96558 -178.22323 4.74236 2.14154 -177.94403 539.46765
5895.0000 -183.48031 -178.45437 5.02594 2.13056 -178.13575 533.46100
5900.0000 -183.66224 -179.29573 4.36651 2.07199 -179.15879 502.81192
5905.0000 -183.91680 -179.05273 4.86407 2.09787 -178.70674 531.26369
5910.0000 -184.07311 -179.33874 4.73437 2.08548 -178.92325 538.03496
5915.0000 -183.65541 -178.89137 4.76404 2.06055 -179.35867 519.82608
5920.0000 -184.08529 -178.35675 5.72853 2.10461 -178.58908 539.88466
5925.0000 -182.96007 -178.07326 4.88681 2.12170 -178.29050 531.92739
5930.0000 -182.87592 -178.42020 4.45572 2.13182 -178.11383 535.54842
5935.0000 -183.10115 -177.88433 5.21682 2.12306 -178.26684 542.15712
5940.0000 -183.05216 -177.96425 5.08791 2.13257 -178.10069 540.78427
5945.0000 -183.20762 -177.54850 5.65912 2.14379 -177.90475 555.92417
5950.0000 -183.17072 -178.12866 5.04206 2.14219 -177.93266 575.47240
5955.0000 -183.47420 -178.96659 4.50761 2.09564 -178.74563 509.53098
5960.0000 -184.75079 -179.98455 4.76624 2.05135 -179.51936 480.24255
5965.0000 -184.55632 -179.98213 4.57419 2.04633 -179.60706 467.46771
5970.0000 -183.18322 -178.29936 4.88386 2.07342 -179.13381 498.06121
5975.0000 -182.91659 -178.39773 4.51887 2.11769 -178.36058 524.50200
5980.0000 -182.66040 -177.06596 5.59444 2.09956 -178.67720 510.09809
5985.0000 -183.61141 -178.57216 5.03925 2.16951 -177.45540 560.50833
5990.0000 -183.51659 -178.28273 5.23386 2.13898 -177.98865 531.02100
5995.0000 -183.67763 -178.84066 4.83697 2.10211 -178.63264 507.21632
6000.0000 -183.91538 -178.96111 4.95427 2.09041 -178.83698 507.72994
FREEZING PROCESS: loop number 25 T-loop= 503.00000000000000
main_MD> interactions number 25 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02925 1.14682 2.94846
force_rgl> df(natom) 1.71593 -0.89182 3.02994
6005.0000 -183.94004 -179.61628 4.32376 2.05469 -179.46104 473.45184
6010.0000 -183.35578 -177.90784 5.44794 2.06617 -179.26039 485.61410
6015.0000 -183.92958 -179.07773 4.85185 2.11408 -178.42358 528.61640
6020.0000 -183.79607 -178.83212 4.96395 2.07427 -179.11906 514.01123
6025.0000 -184.43942 -179.62742 4.81200 2.07604 -179.08808 508.74758
6030.0000 -183.51692 -179.18147 4.33545 2.06063 -179.35716 493.78410
6035.0000 -183.64550 -178.95407 4.69143 2.09341 -178.78466 519.90956
6040.0000 -183.86823 -178.84466 5.02357 2.07296 -179.14190 511.97532
6045.0000 -184.52101 -179.18351 5.33750 2.08426 -178.94444 521.92041
6050.0000 -182.70659 -176.87265 5.83394 2.13986 -177.97338 575.91799
6055.0000 -182.53005 -178.44357 4.08647 2.15556 -177.69913 548.68886
6060.0000 -183.33302 -178.97210 4.36092 2.07841 -179.04675 491.13673
6065.0000 -183.63744 -179.08457 4.55287 2.06733 -179.24025 486.76936
6070.0000 -183.34298 -178.70998 4.63301 2.07666 -179.07718 506.07183
6075.0000 -184.62605 -179.60989 5.01616 2.05481 -179.45893 504.26494
6080.0000 -184.30176 -179.02454 5.27721 2.04615 -179.61018 490.71564
6085.0000 -184.51883 -179.60172 4.91711 2.06372 -179.30325 519.73198
6090.0000 -184.16746 -179.38431 4.78315 2.04870 -179.56556 506.77262
6095.0000 -184.95510 -179.81431 5.14079 2.03371 -179.82744 490.43646
6100.0000 -184.21671 -178.91826 5.29844 2.05763 -179.40965 496.28930
6105.0000 -184.34691 -180.02150 4.32541 2.04301 -179.66498 503.61455
6110.0000 -183.87913 -179.68250 4.19663 2.04555 -179.62062 505.71859
6115.0000 -184.24577 -179.63639 4.60938 2.04854 -179.56833 509.55329
6120.0000 -184.19671 -178.92533 5.27138 2.06883 -179.21401 508.23173
6125.0000 -184.47208 -179.33784 5.13425 2.09090 -178.82846 554.34673
6130.0000 -184.87076 -179.76542 5.10534 2.05687 -179.42283 540.67086
6135.0000 -184.37638 -180.48581 3.89056 2.02351 -180.00567 507.75539
6140.0000 -185.30525 -180.97503 4.33023 2.01284 -180.19205 478.17461
6145.0000 -185.55766 -180.72657 4.83109 1.96970 -180.94543 470.74216
6150.0000 -185.05716 -180.25417 4.80299 2.00517 -180.32586 490.31213
6155.0000 -184.57931 -180.51923 4.06008 1.99964 -180.42253 489.27945
6160.0000 -184.74465 -180.23532 4.50933 1.99587 -180.48834 456.92305
6165.0000 -184.48536 -180.23483 4.25054 2.03926 -179.73049 504.80917
6170.0000 -185.06936 -180.45686 4.61251 2.01380 -180.17522 492.18230
6175.0000 -184.30913 -179.84517 4.46397 2.01120 -180.22066 479.79447
6180.0000 -184.63901 -180.34938 4.28963 2.03237 -179.85089 488.77983
6185.0000 -183.75668 -179.40530 4.35139 2.04842 -179.57052 502.34847
6190.0000 -184.12217 -178.74788 5.37429 2.06666 -179.25188 512.52783
6195.0000 -183.98724 -179.35671 4.63053 2.07377 -179.12773 538.97435
6200.0000 -184.47172 -179.53033 4.94139 2.06134 -179.34481 521.71720
6205.0000 -183.42455 -178.86854 4.55601 2.06286 -179.31821 522.40733
6210.0000 -184.37669 -180.49163 3.88506 2.03475 -179.80925 487.52359
6215.0000 -185.24615 -180.40978 4.83636 2.00587 -180.31370 471.60225
6220.0000 -185.00992 -180.65815 4.35176 1.96694 -180.99363 441.94876
6225.0000 -184.49874 -179.80294 4.69580 2.00978 -180.24544 471.44380
6230.0000 -184.74323 -179.97470 4.76853 2.02987 -179.89448 476.86833
6235.0000 -184.03549 -179.88801 4.14748 2.05575 -179.44255 500.61969
6240.0000 -184.56702 -180.59523 3.97179 2.01623 -180.13270 475.21827
6245.0000 -184.60207 -179.71379 4.88828 1.99123 -180.56940 460.53633
6250.0000 -184.08407 -179.40438 4.67969 2.06399 -179.29857 511.44543
FREEZING PROCESS: loop number 26 T-loop= 478.00000000000000
main_MD> interactions number 26 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72497 0.27195 0.46542
force_rgl> df(natom) 0.75097 0.64036 -4.17207
6255.0000 -184.06807 -179.93386 4.13421 2.02844 -179.91945 486.33718
6260.0000 -183.94772 -178.74842 5.19930 2.09030 -178.83897 493.91491
6265.0000 -183.74719 -179.09039 4.65680 2.08788 -178.88124 521.41330
6270.0000 -183.54895 -179.78699 3.76195 2.08552 -178.92244 517.55293
6275.0000 -182.99279 -179.27590 3.71690 2.05580 -179.44158 471.66266
6280.0000 -184.38830 -180.10981 4.27849 2.01597 -180.13727 447.28977
6285.0000 -184.41062 -180.65389 3.75673 1.99557 -180.49365 425.71419
6290.0000 -184.42144 -179.73926 4.68218 2.01473 -180.15890 442.67495
6295.0000 -184.25874 -179.91359 4.34514 2.03080 -179.87827 463.20966
6300.0000 -184.21162 -179.54926 4.66236 2.06403 -179.29780 494.74090
6305.0000 -183.77996 -178.89825 4.88171 2.06641 -179.25622 499.01947
6310.0000 -183.05027 -178.63507 4.41520 2.06757 -179.23608 484.94771
6315.0000 -183.11975 -178.69224 4.42751 2.11591 -178.39163 511.47426
6320.0000 -183.77638 -178.86964 4.90674 2.11931 -178.33233 513.86030
6325.0000 -182.78939 -179.09289 3.69650 2.08712 -178.89446 485.28771
6330.0000 -183.84904 -179.40601 4.44303 2.04593 -179.61395 457.15882
6335.0000 -183.85122 -179.11840 4.73282 2.03012 -179.89007 454.92565
6340.0000 -184.08694 -178.98773 5.09921 2.05697 -179.42116 487.04849
6345.0000 -184.92320 -179.78603 5.13717 2.06285 -179.31840 491.38540
6350.0000 -183.20387 -178.73349 4.47038 2.06956 -179.20119 489.45722
6355.0000 -183.84514 -178.78936 5.05578 2.10870 -178.51768 523.50863
6360.0000 -183.35650 -178.87117 4.48533 2.09640 -178.73251 498.71819
6365.0000 -183.68401 -179.26439 4.41962 2.05053 -179.53366 470.92311
6370.0000 -184.72192 -179.64842 5.07350 2.05730 -179.41546 476.48732
6375.0000 -182.90664 -178.78730 4.11934 2.04709 -179.59382 477.55299
6380.0000 -183.97232 -179.31908 4.65323 2.09022 -178.84043 503.40753
6385.0000 -184.31680 -180.01867 4.29813 2.06158 -179.34055 480.73685
6390.0000 -183.78590 -179.38752 4.39838 2.08023 -179.01482 505.16745
6395.0000 -182.77121 -178.43039 4.34081 2.08543 -178.92411 505.33272
6400.0000 -183.76607 -179.04118 4.72489 2.10670 -178.55259 521.53666
6405.0000 -184.41210 -179.16051 5.25159 2.09655 -178.72984 512.00026
6410.0000 -183.90299 -180.26110 3.64188 2.05167 -179.51373 475.71262
6415.0000 -183.49585 -179.49289 4.00296 2.00329 -180.35883 430.60115
6420.0000 -185.32384 -181.19400 4.12984 2.01973 -180.07159 456.93791
6425.0000 -185.13143 -181.33427 3.79716 1.96303 -181.06199 424.82341
6430.0000 -184.28410 -179.08282 5.20128 2.02577 -179.96614 480.92403
6435.0000 -183.78348 -179.45997 4.32351 2.07262 -179.14781 511.10822
6440.0000 -184.44562 -179.88072 4.56490 2.05051 -179.53396 471.74145
6445.0000 -184.74507 -180.42024 4.32483 2.01650 -180.12808 469.44626
6450.0000 -184.68147 -179.41466 5.26681 2.01885 -180.08693 468.04988
6455.0000 -184.34345 -179.29742 5.04603 2.02502 -179.97916 475.02391
6460.0000 -184.00231 -179.10715 4.89516 2.03739 -179.76314 493.41349
6465.0000 -182.73687 -178.55093 4.18594 2.09186 -178.81177 490.22132
6470.0000 -183.51997 -178.89573 4.62424 2.07149 -179.16763 485.38872
6475.0000 -183.75569 -179.49091 4.26478 2.08546 -178.92352 506.89228
6480.0000 -184.08493 -179.47297 4.61195 2.03808 -179.75117 462.66663
6485.0000 -184.57042 -179.84223 4.72820 2.04177 -179.68659 470.78012
6490.0000 -184.69566 -179.84541 4.85025 2.05451 -179.46404 486.38194
6495.0000 -184.76582 -180.41517 4.35064 1.97790 -180.80223 426.84709
6500.0000 -184.12529 -179.93027 4.19502 2.02085 -180.05207 463.05774
FREEZING PROCESS: loop number 27 T-loop= 453.00000000000000
main_MD> interactions number 27 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92332 -0.30852 -1.74095
force_rgl> df(natom) 0.89048 -1.28844 0.44725
6505.0000 -184.27692 -179.87063 4.40629 2.04138 -179.69347 469.96171
6510.0000 -184.95412 -180.70316 4.25096 1.99269 -180.54392 464.54444
6515.0000 -185.75701 -181.84188 3.91513 1.95144 -181.26447 433.38901
6520.0000 -185.30628 -181.42444 3.88184 1.93434 -181.56304 413.92757
6525.0000 -185.33090 -181.38096 3.94994 1.93584 -181.53690 417.74753
6530.0000 -184.51385 -180.72438 3.78947 1.97554 -180.84353 454.04059
6535.0000 -184.99301 -180.84648 4.14653 1.98877 -180.61239 445.55453
6540.0000 -184.75417 -180.67914 4.07503 2.00234 -180.37545 473.30332
6545.0000 -184.34474 -180.46061 3.88413 1.98276 -180.71731 453.33514
6550.0000 -184.50440 -180.73323 3.77117 1.97363 -180.87686 447.04493
6555.0000 -184.57817 -180.99224 3.58593 1.96955 -180.94816 443.42234
6560.0000 -185.11603 -180.81066 4.30537 1.98077 -180.75217 458.53186
6565.0000 -185.10340 -180.98497 4.11843 1.97753 -180.80873 463.51352
6570.0000 -184.26573 -180.35587 3.90987 1.99107 -180.57219 468.94733
6575.0000 -185.30582 -181.06775 4.23807 1.96961 -180.94703 457.49103
6580.0000 -185.53316 -181.89431 3.63885 1.94406 -181.39329 437.60363
6585.0000 -185.09225 -180.93842 4.15382 1.93636 -181.52779 435.33737
6590.0000 -185.54705 -181.19770 4.34935 1.98076 -180.75236 473.93286
6595.0000 -184.25045 -180.15225 4.09820 1.96739 -180.98591 453.08302
6600.0000 -184.55559 -180.06547 4.49012 2.02465 -179.98577 485.87152
6605.0000 -183.99676 -179.03143 4.96534 2.01882 -180.08758 494.65273
6610.0000 -185.20717 -180.87972 4.32746 2.03281 -179.84309 496.38326
6615.0000 -183.70915 -179.56663 4.14252 2.01769 -180.10717 489.18301
6620.0000 -184.54292 -180.17792 4.36500 2.02092 -180.05092 498.16711
6625.0000 -185.49878 -181.36771 4.13107 1.99007 -180.58968 472.24360
6630.0000 -184.85269 -180.59229 4.26040 1.97326 -180.88336 449.44340
6635.0000 -185.21960 -181.21506 4.00455 1.96950 -180.94906 461.50719
6640.0000 -185.63253 -181.09707 4.53546 1.95433 -181.21402 438.34193
6645.0000 -186.34674 -181.96862 4.37813 1.96057 -181.10495 460.55893
6650.0000 -185.90486 -181.49352 4.41135 1.91064 -181.97705 404.18802
6655.0000 -185.28791 -181.26983 4.01809 1.91842 -181.84125 413.24387
6660.0000 -185.19847 -181.27355 3.92492 1.92870 -181.66169 410.90792
6665.0000 -185.11276 -181.20769 3.90507 1.94959 -181.29675 429.23007
6670.0000 -185.16000 -181.06474 4.09525 1.98059 -180.75537 452.94221
6675.0000 -185.20340 -181.09244 4.11097 1.96479 -181.03117 456.49280
6680.0000 -184.46547 -180.69180 3.77367 1.97296 -180.88859 447.43400
6685.0000 -184.16774 -179.93425 4.23350 2.02742 -179.93730 471.96120
6690.0000 -184.27860 -179.96973 4.30887 2.01984 -180.06972 453.68574
6695.0000 -183.67786 -179.79147 3.88639 2.00265 -180.36999 421.21114
6700.0000 -184.68136 -180.41068 4.27068 2.04678 -179.59909 455.98820
6705.0000 -184.41843 -180.33921 4.07921 2.00458 -180.33629 449.98024
6710.0000 -185.04122 -180.35280 4.68842 2.00002 -180.41582 467.99196
6715.0000 -185.31582 -181.19775 4.11806 1.98586 -180.66331 467.74896
6720.0000 -184.66555 -180.53636 4.12919 1.97799 -180.80061 455.75098
6725.0000 -184.89722 -181.31377 3.58344 1.96254 -181.07048 446.58936
6730.0000 -185.14194 -181.44427 3.69767 1.95109 -181.27050 443.92886
6735.0000 -185.87159 -181.24687 4.62472 1.93638 -181.52758 425.84820
6740.0000 -184.92161 -181.05265 3.86896 1.92551 -181.71727 405.98442
6745.0000 -184.92222 -180.76646 4.15576 1.97095 -180.92366 457.68222
6750.0000 -185.88389 -181.71791 4.16598 1.94806 -181.32350 443.84905
FREEZING PROCESS: loop number 28 T-loop= 428.00000000000000
main_MD> interactions number 28 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92105 0.49350 -2.30604
force_rgl> df(natom) 0.52316 -0.49871 0.47138
6755.0000 -186.08556 -181.80239 4.28317 1.91555 -181.89138 426.68035
6760.0000 -184.62193 -180.91191 3.71002 1.94319 -181.40850 433.26852
6765.0000 -185.18075 -181.00635 4.17440 1.95460 -181.20927 431.36410
6770.0000 -185.78994 -181.85351 3.93643 1.94451 -181.38542 422.76828
6775.0000 -185.25375 -181.52184 3.73191 1.92031 -181.80825 406.97821
6780.0000 -185.51040 -181.38038 4.13002 1.94845 -181.31660 437.92570
6785.0000 -185.54787 -181.59366 3.95421 1.96673 -180.99734 445.05169
6790.0000 -185.61222 -181.43965 4.17257 1.93056 -181.62920 416.32355
6795.0000 -185.69248 -181.88859 3.80390 1.94200 -181.42934 422.76499
6800.0000 -185.92473 -182.19769 3.72704 1.93260 -181.59351 410.14553
6805.0000 -185.56889 -181.71791 3.85097 1.91705 -181.86506 403.01961
6810.0000 -185.27360 -181.06796 4.20564 1.93677 -181.52071 417.62796
6815.0000 -184.99525 -181.10592 3.88933 1.93229 -181.59885 414.34818
6820.0000 -185.95433 -181.84565 4.10868 1.95420 -181.21624 429.19957
6825.0000 -185.37133 -181.59712 3.77421 1.93398 -181.56949 419.15321
6830.0000 -185.89303 -181.47587 4.41716 1.93516 -181.54879 419.14786
6835.0000 -185.38978 -181.81453 3.57526 1.92943 -181.64896 419.89306
6840.0000 -185.27099 -181.13192 4.13907 1.92564 -181.71516 410.09672
6845.0000 -185.01301 -181.26305 3.74996 1.97112 -180.92073 447.12738
6850.0000 -186.35691 -182.14195 4.21496 1.92183 -181.78158 407.18349
6855.0000 -185.73315 -181.62727 4.10588 1.91696 -181.86673 401.05754
6860.0000 -185.60232 -181.91472 3.68761 1.92077 -181.80019 407.22163
6865.0000 -185.55134 -181.53139 4.01995 1.91066 -181.97681 387.02290
6870.0000 -184.47954 -181.06442 3.41512 1.94867 -181.31290 415.97130
6875.0000 -185.05908 -181.03968 4.01941 1.98064 -180.75438 455.88708
6880.0000 -185.60883 -181.22491 4.38392 1.96728 -180.98781 448.30160
6885.0000 -185.85430 -181.37144 4.48285 1.94552 -181.36785 431.62286
6890.0000 -185.55210 -181.75001 3.80209 1.93081 -181.62472 414.69722
6895.0000 -184.91385 -180.76595 4.14790 1.95098 -181.27247 440.24409
6900.0000 -184.15044 -179.93193 4.21851 2.00802 -180.27624 477.83914
6905.0000 -184.77307 -179.24233 5.53074 2.03839 -179.74577 502.91720
6910.0000 -184.17497 -179.21938 4.95559 2.08833 -178.87337 537.92654
6915.0000 -184.43899 -180.39772 4.04127 2.05563 -179.44464 503.33260
6920.0000 -185.27434 -180.93211 4.34223 1.97615 -180.83285 451.31472
6925.0000 -185.30659 -180.19381 5.11278 1.96555 -181.01794 445.39606
6930.0000 -184.42712 -180.50177 3.92535 1.98987 -180.59322 460.18868
6935.0000 -185.04612 -181.25229 3.79382 1.99366 -180.52701 454.38503
6940.0000 -186.05131 -182.34230 3.70901 1.93031 -181.63351 405.80705
6945.0000 -185.65899 -181.64875 4.01024 1.88314 -182.45740 367.36831
6950.0000 -185.50133 -181.74355 3.75779 1.92796 -181.67458 411.39646
6955.0000 -186.19947 -182.04298 4.15649 1.90985 -181.99090 409.12691
6960.0000 -185.31875 -181.78431 3.53444 1.92587 -181.71107 417.97359
6965.0000 -185.56894 -181.72055 3.84839 1.90864 -182.01209 400.82154
6970.0000 -185.46540 -181.22047 4.24493 1.92410 -181.74194 410.91640
6975.0000 -185.24830 -181.40699 3.84132 1.94529 -181.37188 419.58028
6980.0000 -184.47027 -180.55362 3.91665 1.95592 -181.18622 431.31907
6985.0000 -184.78166 -180.92191 3.85975 1.97241 -180.89809 445.73006
6990.0000 -185.58457 -181.26242 4.32216 1.98220 -180.72722 460.93308
6995.0000 -185.78183 -181.24088 4.54095 1.96608 -181.00873 451.49015
7000.0000 -185.92679 -181.35794 4.56885 1.95501 -181.20217 435.30356
FREEZING PROCESS: loop number 29 T-loop= 403.00000000000000
main_MD> interactions number 29 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21275 -1.05909 -1.98667
force_rgl> df(natom) 1.92671 0.35007 -4.52959
7005.0000 -186.38763 -182.02623 4.36140 1.92714 -181.68896 420.79885
7010.0000 -185.82771 -182.11221 3.71550 1.89965 -182.16912 393.96567
7015.0000 -185.97664 -181.32621 4.65043 1.92926 -181.65183 427.22652
7020.0000 -185.45176 -181.44339 4.00838 1.95518 -181.19903 436.97169
7025.0000 -185.54507 -181.65473 3.89034 1.94198 -181.42964 417.56396
7030.0000 -186.18016 -182.10167 4.07850 1.90871 -182.01075 405.11700
7035.0000 -186.15696 -182.62492 3.53204 1.88230 -182.47214 385.54495
7040.0000 -185.17959 -180.72597 4.45362 1.93004 -181.63818 422.46835
7045.0000 -185.78867 -181.65951 4.12916 1.93159 -181.61124 423.95644
7050.0000 -185.76483 -182.44986 3.31497 1.89531 -182.24491 401.86601
7055.0000 -186.15601 -182.73435 3.42166 1.87900 -182.52973 373.28006
7060.0000 -186.00668 -182.33838 3.66830 1.88155 -182.48517 380.88230
7065.0000 -185.27637 -181.72867 3.54770 1.89516 -182.24749 394.99662
7070.0000 -185.95304 -182.17149 3.78155 1.89929 -182.17534 391.06542
7075.0000 -185.29106 -181.34469 3.94637 1.93083 -181.62439 421.01392
7080.0000 -186.21114 -182.52514 3.68600 1.90087 -182.14778 398.40293
7085.0000 -185.99762 -182.14482 3.85280 1.89052 -182.32847 391.68290
7090.0000 -185.71046 -181.53276 4.17771 1.91090 -181.97257 407.90512
7095.0000 -185.90126 -181.88223 4.01903 1.93071 -181.62661 415.78686
7100.0000 -186.46953 -182.72041 3.74913 1.90521 -182.07200 392.28161
7105.0000 -185.85409 -181.76960 4.08449 1.89100 -182.32011 376.93070
7110.0000 -185.81262 -182.14292 3.66970 1.93758 -181.50656 419.23867
7115.0000 -185.95587 -182.40175 3.55412 1.91299 -181.93605 406.15864
7120.0000 -187.08494 -183.51577 3.56917 1.86638 -182.75025 385.69290
7125.0000 -186.42666 -183.03107 3.39560 1.85934 -182.87312 382.62763
7130.0000 -186.25566 -182.17314 4.08252 1.85320 -182.98044 380.51914
7135.0000 -186.30752 -182.10368 4.20384 1.89355 -182.27561 412.27595
7140.0000 -186.62392 -182.14145 4.48247 1.90553 -182.06627 424.70441
7145.0000 -186.25767 -182.40900 3.84867 1.88174 -182.48187 403.53355
7150.0000 -185.72699 -181.64059 4.08640 1.93743 -181.50924 438.88040
7155.0000 -186.53756 -182.66105 3.87651 1.91420 -181.91486 420.77123
7160.0000 -186.69217 -182.56416 4.12802 1.88187 -182.47955 408.68350
7165.0000 -187.06936 -183.38138 3.68798 1.85604 -182.93070 386.21946
7170.0000 -187.23789 -184.17321 3.06468 1.84187 -183.17835 374.77670
7175.0000 -187.16611 -183.22087 3.94523 1.84890 -183.05552 379.43376
7180.0000 -186.43158 -182.92915 3.50243 1.85281 -182.98724 381.20352
7185.0000 -185.74831 -181.92435 3.82396 1.88243 -182.46989 405.00149
7190.0000 -185.31952 -181.41941 3.90011 1.92388 -181.74578 436.39173
7195.0000 -186.40031 -182.28777 4.11254 1.92916 -181.65360 429.44956
7200.0000 -185.63382 -181.61933 4.01449 1.92898 -181.65667 425.24414
7205.0000 -186.33418 -182.03959 4.29460 1.91187 -181.95558 406.52128
7210.0000 -186.44935 -182.86120 3.58815 1.89522 -182.24651 395.25938
7215.0000 -186.66146 -183.09040 3.57106 1.84425 -183.13672 360.06233
7220.0000 -186.47362 -182.48118 3.99244 1.85390 -182.96808 375.90846
7225.0000 -185.49004 -182.05179 3.43824 1.91283 -181.93876 424.41577
7230.0000 -185.99223 -182.06571 3.92652 1.91086 -181.97326 427.24799
7235.0000 -185.62127 -182.47834 3.14293 1.89721 -182.21164 404.03263
7240.0000 -186.25690 -182.32589 3.93101 1.88426 -182.43779 406.99925
7245.0000 -186.08595 -181.92179 4.16415 1.91203 -181.95285 434.33468
7250.0000 -185.24183 -181.55931 3.68252 1.93035 -181.63278 453.73866
FREEZING PROCESS: loop number 30 T-loop= 378.00000000000000
main_MD> interactions number 30 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54065 3.30538 -4.52098
force_rgl> df(natom) -0.47387 -2.85626 0.15584
7255.0000 -185.99498 -182.09240 3.90258 1.91650 -181.87478 431.52349
7260.0000 -186.75199 -183.21750 3.53449 1.85824 -182.89227 380.29936
7265.0000 -187.21948 -184.12010 3.09937 1.78762 -184.12595 330.94267
7270.0000 -187.00674 -183.35992 3.64682 1.80788 -183.77198 347.74185
7275.0000 -186.18411 -182.86448 3.31963 1.84281 -183.16182 377.18991
7280.0000 -185.89939 -182.60095 3.29843 1.86535 -182.76810 401.80570
7285.0000 -185.91434 -182.73653 3.17781 1.87756 -182.55487 395.99770
7290.0000 -186.26480 -182.47841 3.78638 1.85785 -182.89916 375.55912
7295.0000 -186.19017 -182.46331 3.72687 1.87131 -182.66403 387.61014
7300.0000 -186.63612 -183.31254 3.32358 1.84458 -183.13094 364.72241
7305.0000 -186.48726 -182.67853 3.80873 1.85294 -182.98497 371.79109
7310.0000 -187.14407 -183.04079 4.10328 1.86329 -182.80416 381.73324
7315.0000 -186.37248 -183.09983 3.27266 1.85648 -182.92314 382.36222
7320.0000 -186.84121 -183.63888 3.20233 1.86146 -182.83610 383.36237
7325.0000 -187.01684 -183.25515 3.76169 1.82275 -183.51231 354.54196
7330.0000 -186.52832 -182.50336 4.02496 1.86333 -182.80341 387.64222
7335.0000 -186.04950 -182.15869 3.89081 1.88260 -182.46684 398.37277
7340.0000 -185.49980 -182.26133 3.23847 1.88406 -182.44136 399.92130
7345.0000 -186.71202 -182.93367 3.77835 1.88779 -182.37621 410.28170
7350.0000 -186.46325 -182.55148 3.91177 1.86347 -182.80101 375.18228
7355.0000 -187.04440 -183.53797 3.50643 1.83784 -183.24862 360.68839
7360.0000 -186.53539 -182.14587 4.38952 1.87743 -182.55715 391.36007
7365.0000 -186.57629 -182.80460 3.77169 1.88596 -182.40822 407.69969
7370.0000 -186.51916 -182.07955 4.43962 1.88447 -182.43418 392.56094
7375.0000 -186.45337 -183.48643 2.96694 1.84103 -183.19287 355.73321
7380.0000 -187.11920 -183.54715 3.57206 1.83078 -183.37194 349.15895
7385.0000 -186.87676 -183.51438 3.36238 1.83293 -183.33453 355.17625
7390.0000 -186.54584 -182.65920 3.88665 1.85007 -183.03504 367.51385
7395.0000 -186.63977 -183.72332 2.91646 1.84752 -183.07964 365.57591
7400.0000 -186.40882 -182.62018 3.78864 1.84617 -183.10324 362.96623
7405.0000 -186.92491 -182.96452 3.96040 1.86265 -182.81526 383.75104
7410.0000 -186.32173 -182.67374 3.64798 1.85222 -182.99757 373.25893
7415.0000 -186.70198 -183.21934 3.48263 1.86723 -182.73530 380.24455
7420.0000 -186.55582 -183.46856 3.08727 1.85028 -183.03134 368.73121
7425.0000 -186.30886 -183.09669 3.21217 1.84156 -183.18374 361.47013
7430.0000 -186.00885 -182.68734 3.32152 1.87580 -182.58559 390.76869
7435.0000 -186.03651 -182.14196 3.89455 1.90552 -182.06660 415.01978
7440.0000 -186.19778 -182.53680 3.66098 1.89633 -182.22711 404.20741
7445.0000 -186.60009 -182.91175 3.68834 1.86584 -182.75964 384.04865
7450.0000 -185.71856 -182.38466 3.33390 1.87418 -182.61388 386.07742
7455.0000 -186.36397 -183.12004 3.24393 1.86925 -182.70003 377.05284
7460.0000 -186.48583 -182.71320 3.77263 1.87309 -182.63299 387.03917
7465.0000 -186.63623 -182.72581 3.91042 1.88221 -182.47373 387.47836
7470.0000 -186.87224 -182.96305 3.90920 1.86769 -182.72726 394.94013
7475.0000 -186.93435 -183.37704 3.55731 1.84513 -183.12136 369.80588
7480.0000 -186.78784 -183.39184 3.39600 1.84197 -183.17657 370.76352
7485.0000 -186.92105 -183.54205 3.37900 1.81410 -183.66330 347.83379
7490.0000 -187.04714 -183.71048 3.33666 1.83878 -183.23231 369.42529
7495.0000 -186.59942 -182.36705 4.23237 1.85553 -182.93964 383.61411
7500.0000 -186.87531 -183.50863 3.36668 1.82779 -183.42423 357.39299
FREEZING PROCESS: loop number 31 T-loop= 353.00000000000000
main_MD> interactions number 31 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84233 -1.56565 1.89713
force_rgl> df(natom) -2.42046 -0.20770 0.77886
7505.0000 -186.66662 -183.27211 3.39451 1.83072 -183.37306 362.65359
7510.0000 -187.20878 -183.74826 3.46052 1.82210 -183.52361 361.03963
7515.0000 -187.02487 -183.62393 3.40093 1.81765 -183.60140 350.84881
7520.0000 -186.29733 -182.84678 3.45056 1.83087 -183.37037 358.94017
7525.0000 -186.44713 -182.26906 4.17807 1.86330 -182.80401 388.41600
7530.0000 -187.28069 -184.26254 3.01816 1.83211 -183.34875 361.39761
7535.0000 -187.31437 -184.33931 2.97506 1.77170 -184.40395 311.62874
7540.0000 -186.84895 -183.43801 3.41094 1.81163 -183.70649 345.54784
7545.0000 -186.63600 -183.21012 3.42588 1.82324 -183.50367 357.26195
7550.0000 -187.14895 -183.15803 3.99092 1.84709 -183.08709 376.54554
7555.0000 -186.30204 -182.99183 3.31021 1.83384 -183.31846 363.68586
7560.0000 -186.68148 -182.79402 3.88746 1.86549 -182.76572 393.87130
7565.0000 -186.78408 -183.79270 2.99138 1.84135 -183.18732 371.64751
7570.0000 -187.24705 -184.31050 2.93655 1.78349 -184.19804 320.42039
7575.0000 -187.44005 -184.93242 2.50763 1.76179 -184.57703 302.19151
7580.0000 -186.93917 -183.82321 3.11596 1.76304 -184.55514 299.95557
7585.0000 -187.33915 -183.59749 3.74166 1.82947 -183.39488 360.19141
7590.0000 -187.52419 -184.08347 3.44073 1.80276 -183.86144 341.66151
7595.0000 -187.09187 -183.79703 3.29485 1.80765 -183.77598 347.29049
7600.0000 -186.58507 -183.00511 3.57996 1.84143 -183.18605 369.22781
7605.0000 -186.23501 -182.99427 3.24074 1.85344 -182.97613 375.97708
7610.0000 -187.04373 -183.88481 3.15892 1.82210 -183.52363 353.62631
7615.0000 -186.50386 -183.08717 3.41669 1.80551 -183.81337 338.56822
7620.0000 -186.83177 -183.24385 3.58792 1.82717 -183.43504 362.91233
7625.0000 -186.51162 -183.27591 3.23571 1.83304 -183.33251 360.34959
7630.0000 -187.24256 -183.60961 3.63295 1.84390 -183.14280 375.93346
7635.0000 -186.02702 -183.12628 2.90074 1.80854 -183.76042 341.91023
7640.0000 -186.95368 -183.14961 3.80407 1.87022 -182.68317 396.24500
7645.0000 -186.90573 -183.33137 3.57436 1.82961 -183.39236 360.51789
7650.0000 -187.01688 -183.79764 3.21925 1.80520 -183.81881 340.89349
7655.0000 -186.93314 -183.55718 3.37595 1.81172 -183.70488 346.04559
7660.0000 -186.65328 -183.19381 3.45947 1.81065 -183.72368 345.57586
7665.0000 -186.70225 -183.40362 3.29863 1.83585 -183.28347 368.30614
7670.0000 -187.46615 -184.21173 3.25442 1.81954 -183.56824 353.71592
7675.0000 -186.95617 -183.74529 3.21087 1.79004 -184.08351 324.78970
7680.0000 -187.32000 -183.53772 3.78227 1.81635 -183.62396 352.21082
7685.0000 -187.24004 -183.80740 3.43264 1.81300 -183.68252 347.01343
7690.0000 -187.24410 -184.04238 3.20171 1.81046 -183.72694 346.60959
7695.0000 -187.44432 -184.20385 3.24047 1.77546 -184.33824 316.16228
7700.0000 -187.09189 -183.42604 3.66585 1.80736 -183.78108 344.58037
7705.0000 -186.91333 -183.64240 3.27094 1.81556 -183.63778 351.04259
7710.0000 -187.37715 -183.25193 4.12522 1.80526 -183.81782 343.94030
7715.0000 -186.49265 -182.62089 3.87176 1.86493 -182.77554 391.45676
7720.0000 -187.13684 -183.65832 3.47852 1.84242 -183.16862 373.19710
7725.0000 -187.04790 -183.70787 3.34003 1.81558 -183.63747 348.67918
7730.0000 -186.25031 -182.82666 3.42365 1.85512 -182.94683 384.34733
7735.0000 -186.30287 -182.62144 3.68144 1.88237 -182.47093 413.20516
7740.0000 -186.56317 -183.11087 3.45231 1.86236 -182.82047 387.29671
7745.0000 -186.79350 -183.04449 3.74901 1.84363 -183.14761 370.54982
7750.0000 -186.76759 -183.87721 2.89038 1.80389 -183.84165 340.32754
FREEZING PROCESS: loop number 32 T-loop= 328.00000000000000
main_MD> interactions number 32 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84552 1.07071 -0.75641
force_rgl> df(natom) -1.76471 -0.04390 -1.25840
7755.0000 -187.47495 -184.17748 3.29747 1.79270 -184.03716 331.33076
7760.0000 -187.21462 -184.26412 2.95050 1.77798 -184.29422 320.52084
7765.0000 -187.20859 -184.14941 3.05918 1.79109 -184.06517 328.04196
7770.0000 -187.39434 -184.25037 3.14397 1.78669 -184.14205 324.92078
7775.0000 -187.30299 -184.23567 3.06732 1.78883 -184.10475 324.74325
7780.0000 -187.07525 -184.00188 3.07337 1.79336 -184.02563 331.22659
7785.0000 -186.85409 -183.26283 3.59126 1.80726 -183.78279 344.48164
7790.0000 -186.69267 -183.32263 3.37004 1.79696 -183.96264 331.76511
7795.0000 -187.10138 -183.06611 4.03527 1.82422 -183.48665 354.81269
7800.0000 -187.07119 -183.98706 3.08413 1.80402 -183.83944 339.43281
7805.0000 -186.94141 -183.95804 2.98337 1.80015 -183.90702 340.77008
7810.0000 -186.81979 -184.20001 2.61979 1.76766 -184.47450 309.46970
7815.0000 -187.36002 -184.19349 3.16653 1.79228 -184.04443 328.86458
7820.0000 -186.68687 -183.51436 3.17251 1.79585 -183.98203 331.43340
7825.0000 -187.22780 -183.94325 3.28455 1.80862 -183.75906 346.80594
7830.0000 -187.20049 -184.61486 2.58564 1.77214 -184.39633 312.51461
7835.0000 -187.53946 -185.20536 2.33411 1.72982 -185.13553 277.88482
7840.0000 -187.59911 -184.95709 2.64202 1.74425 -184.88342 289.05430
7845.0000 -187.38150 -184.40500 2.97650 1.74867 -184.80628 296.31202
7850.0000 -187.75103 -184.79703 2.95400 1.75459 -184.70273 299.58297
7855.0000 -187.13120 -184.10716 3.02404 1.77050 -184.42489 311.86947
7860.0000 -187.66503 -184.81936 2.84567 1.75816 -184.64046 299.24247
7865.0000 -187.44568 -184.56189 2.88379 1.77195 -184.39960 313.68994
7870.0000 -187.49448 -184.87208 2.62240 1.75839 -184.63638 303.93555
7875.0000 -187.61699 -184.46581 3.15118 1.75837 -184.63678 300.92515
7880.0000 -186.51287 -183.68898 2.82389 1.79661 -183.96884 328.93637
7885.0000 -186.93134 -184.13925 2.79209 1.78222 -184.22019 321.23998
7890.0000 -187.36745 -184.81883 2.54862 1.77240 -184.39168 312.74952
7895.0000 -187.26582 -184.34669 2.91913 1.77944 -184.26874 316.24519
7900.0000 -187.58618 -184.54374 3.04244 1.77014 -184.43114 309.76778
7905.0000 -186.44821 -183.08281 3.36540 1.80127 -183.88743 335.69656
7910.0000 -186.41526 -183.28860 3.12666 1.83621 -183.27708 364.52452
7915.0000 -187.28677 -184.63926 2.64750 1.79746 -183.95407 334.00362
7920.0000 -187.05502 -184.28327 2.77175 1.76351 -184.54695 304.46848
7925.0000 -187.53029 -184.05709 3.47321 1.79098 -184.06713 331.16614
7930.0000 -187.12687 -183.91223 3.21464 1.81318 -183.67940 349.74155
7935.0000 -186.88009 -183.98656 2.89353 1.80226 -183.87020 336.59407
7940.0000 -187.10618 -183.95104 3.15513 1.81425 -183.66069 347.78517
7945.0000 -186.78722 -183.70087 3.08635 1.79386 -184.01687 330.38220
7950.0000 -186.95757 -184.07787 2.87969 1.79531 -183.99156 330.25041
7955.0000 -186.83834 -184.24227 2.59606 1.77901 -184.27622 316.40307
7960.0000 -187.38076 -184.56151 2.81924 1.77399 -184.36389 316.49240
7965.0000 -187.25395 -184.29496 2.95898 1.77171 -184.40369 310.13213
7970.0000 -187.84095 -183.75463 4.08632 1.79847 -183.93627 335.63097
7975.0000 -187.14713 -183.72582 3.42131 1.81916 -183.57487 354.40297
7980.0000 -186.78155 -183.31652 3.46503 1.81256 -183.69030 350.39288
7985.0000 -186.99344 -183.85005 3.14339 1.82500 -183.47293 358.21243
7990.0000 -186.94543 -184.21598 2.72945 1.79731 -183.95661 334.13611
7995.0000 -186.77442 -183.88596 2.88846 1.79470 -184.00220 332.57802
8000.0000 -186.82689 -184.45821 2.36868 1.78882 -184.10482 325.75416
FREEZING PROCESS: loop number 33 T-loop= 303.00000000000000
main_MD> interactions number 33 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50169 -2.16974 -0.85296
force_rgl> df(natom) 1.56981 0.42950 -0.64250
8005.0000 -187.77886 -184.98973 2.78912 1.75791 -184.64480 302.28788
8010.0000 -187.44607 -184.60405 2.84202 1.74325 -184.90080 288.02293
8015.0000 -187.93453 -185.13704 2.79749 1.74484 -184.87312 289.32906
8020.0000 -187.25575 -184.40255 2.85320 1.73773 -184.99724 286.19095
8025.0000 -187.89930 -185.28391 2.61539 1.75062 -184.77206 292.11358
8030.0000 -187.66537 -185.27225 2.39312 1.73252 -185.08821 277.75151
8035.0000 -187.49633 -184.83952 2.65681 1.73361 -185.06930 277.52924
8040.0000 -187.62101 -184.62037 3.00064 1.74767 -184.82363 291.76737
8045.0000 -187.07799 -184.37895 2.69904 1.74805 -184.81704 291.06080
8050.0000 -187.53719 -184.61233 2.92486 1.76241 -184.56618 307.67868
8055.0000 -187.72470 -184.95081 2.77390 1.76070 -184.59599 300.38109
8060.0000 -187.95908 -185.30163 2.65745 1.73455 -185.05286 280.03467
8065.0000 -187.91999 -184.95025 2.96974 1.72289 -185.25642 272.20263
8070.0000 -187.59051 -184.64028 2.95023 1.75963 -184.61468 303.20023
8075.0000 -187.08322 -184.68508 2.39813 1.74806 -184.81687 289.89126
8080.0000 -187.59321 -184.97833 2.61488 1.76293 -184.55714 305.27794
8085.0000 -187.14618 -184.04455 3.10164 1.75469 -184.70097 295.77035
8090.0000 -187.30269 -184.15175 3.15094 1.78870 -184.10696 325.89406
8095.0000 -187.33824 -184.89869 2.43955 1.77230 -184.39350 310.51799
8100.0000 -187.25654 -184.74210 2.51444 1.76937 -184.44458 308.57824
8105.0000 -187.10106 -184.37108 2.72998 1.75430 -184.70790 298.47922
8110.0000 -187.08567 -184.10723 2.97844 1.79120 -184.06340 327.91969
8115.0000 -187.53860 -184.76994 2.76866 1.75464 -184.70193 295.36751
8120.0000 -186.94336 -184.63587 2.30749 1.75927 -184.62113 300.68074
8125.0000 -187.34228 -184.39386 2.94841 1.76573 -184.50821 307.61861
8130.0000 -187.13113 -183.90064 3.23049 1.79610 -183.97770 336.53931
8135.0000 -187.25321 -184.11642 3.13679 1.79239 -184.04248 331.80872
8140.0000 -186.80254 -184.01214 2.79040 1.80157 -183.88215 337.68683
8145.0000 -187.17386 -184.39687 2.77699 1.78252 -184.21500 322.01120
8150.0000 -187.09267 -184.32055 2.77212 1.77989 -184.26094 319.76942
8155.0000 -187.05064 -183.99149 3.05915 1.80409 -183.83813 340.86165
8160.0000 -187.77646 -184.82815 2.94832 1.78217 -184.22098 321.77226
8165.0000 -187.68516 -184.86275 2.82240 1.74083 -184.94320 290.13760
8170.0000 -187.56863 -184.46546 3.10317 1.76337 -184.54943 305.88168
8175.0000 -187.07255 -184.01001 3.06254 1.77819 -184.29053 318.42654
8180.0000 -187.51438 -184.51408 3.00030 1.78220 -184.22052 318.98515
8185.0000 -187.18197 -184.00185 3.18012 1.77471 -184.35128 314.15072
8190.0000 -187.39050 -184.89466 2.49584 1.77988 -184.26099 316.25511
8195.0000 -187.61113 -184.83729 2.77385 1.74714 -184.83300 290.24737
8200.0000 -187.52695 -184.78535 2.74159 1.75297 -184.73108 294.97375
8205.0000 -187.43573 -184.83631 2.59942 1.75028 -184.77814 293.34383
8210.0000 -187.40120 -184.55757 2.84363 1.75967 -184.61403 303.81242
8215.0000 -187.66586 -184.74918 2.91667 1.73777 -184.99652 283.42298
8220.0000 -187.52838 -184.80195 2.72643 1.74488 -184.87233 289.36913
8225.0000 -187.12352 -184.58135 2.54217 1.75029 -184.77798 293.95262
8230.0000 -187.26519 -184.46004 2.80516 1.76856 -184.45872 309.81948
8235.0000 -187.12596 -183.89495 3.23100 1.78643 -184.14668 325.68558
8240.0000 -187.57586 -184.98847 2.58739 1.75984 -184.61112 301.76811
8245.0000 -187.51548 -184.72539 2.79009 1.73812 -184.99050 281.48178
8250.0000 -187.66254 -184.94264 2.71990 1.75870 -184.63092 298.58346
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 29.1764552 [s].
main_MD> Deallocating global variables
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