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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_78/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_78.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 = 78 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 78 7800
main_MD> Size of nv and nvoiz: 78 7800
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 = 78
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.13992437654705162 3.3036246570116480E-002 -8.1716957438702165E-002 initial drift of cluster / NP1 for coalescence
init> 0.31965561182225966 0.35214701526651099 0.28264919859457677 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6927931846365892E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96949 2.56791 1.10807
force_rgl> df(natom) -1.06199 -0.32470 -0.26557
preparo> THERMALIZATION PROCESS AT 1180.7849816444175
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -171.60587495422152 13.154571898889316 -184.76044685311084 6.7733739948519663E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1158.0000000000000
main_MD> interactions number 1 at Temperature= 1158.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53974 4.62567 -0.43507
force_rgl> df(natom) 2.23561 5.75223 3.01730
5.0000 -183.82007 -170.00005 13.82002 3.21570 -171.39542 1202.64299
10.0000 -182.21266 -170.48419 11.72847 3.34270 -169.07694 1307.35353
15.0000 -184.12732 -172.82468 11.30264 3.20832 -171.53022 1205.51411
20.0000 -180.60413 -169.36595 11.23819 3.21853 -171.34377 1213.20661
25.0000 -183.87031 -172.74497 11.12535 3.22382 -171.24711 1229.22781
30.0000 -186.11243 -173.15788 12.95455 3.12426 -173.06478 1162.28173
35.0000 -186.81672 -175.91404 10.90269 3.00456 -175.24985 1084.16454
40.0000 -185.60158 -174.19431 11.40727 2.98417 -175.62224 1040.64816
45.0000 -186.35145 -176.40651 9.94494 3.00491 -175.24358 1084.42358
50.0000 -186.73200 -175.57277 11.15923 2.99221 -175.47546 1062.66158
55.0000 -181.90532 -168.98488 12.92044 3.14225 -172.73622 1176.23183
60.0000 -185.98267 -172.90459 13.07808 3.22157 -171.28818 1232.05840
65.0000 -184.39830 -172.65276 11.74554 3.15936 -172.42395 1156.80529
70.0000 -184.29260 -171.76555 12.52705 3.19347 -171.80131 1180.87649
75.0000 -185.81859 -174.31832 11.50027 3.16941 -172.24051 1188.46720
80.0000 -184.03620 -173.10125 10.93496 3.07560 -173.95303 1091.99518
85.0000 -182.12213 -170.67549 11.44664 3.11522 -173.22972 1170.80157
90.0000 -185.76288 -172.34241 13.42047 3.14448 -172.69564 1155.60401
95.0000 -183.00110 -172.28457 10.71654 3.11267 -173.27627 1146.75115
100.0000 -185.46390 -172.38393 13.07996 3.16721 -172.28070 1186.18267
105.0000 -185.24037 -172.74140 12.49898 3.13723 -172.82793 1151.72736
110.0000 -184.83506 -172.01116 12.82390 3.22913 -171.15019 1236.05363
115.0000 -185.21176 -172.58000 12.63176 3.17302 -172.17461 1202.50404
120.0000 -184.45141 -172.46271 11.98870 3.19151 -171.83710 1230.73802
125.0000 -184.15705 -172.40713 11.74992 3.12278 -173.09166 1161.19808
130.0000 -185.50612 -175.49777 10.00835 3.07823 -173.90501 1092.30708
135.0000 -184.32785 -174.94669 9.38116 3.04435 -174.52350 1088.82126
140.0000 -184.88047 -172.25004 12.63043 3.13115 -172.93888 1164.85033
145.0000 -184.51309 -171.83841 12.67468 3.14881 -172.61656 1180.91339
150.0000 -185.12413 -172.68807 12.43606 3.15218 -172.55499 1176.90880
155.0000 -186.94473 -174.69008 12.25465 3.05823 -174.27007 1109.67185
160.0000 -184.78922 -172.60019 12.18903 3.07221 -174.01501 1119.28747
165.0000 -184.37519 -173.08518 11.29001 3.13180 -172.92711 1168.50573
170.0000 -186.16654 -174.03237 12.13417 3.08800 -173.72665 1161.97924
175.0000 -185.34497 -174.88514 10.45983 3.05630 -174.30541 1114.01152
180.0000 -186.43000 -175.80089 10.62910 2.93650 -176.49247 1045.86595
185.0000 -187.24041 -175.73514 11.50526 2.89993 -177.15997 1015.25879
190.0000 -186.55106 -176.88729 9.66378 2.95564 -176.14296 1084.20240
195.0000 -186.12239 -174.43685 11.68553 3.02307 -174.91193 1100.58180
200.0000 -183.87898 -173.03241 10.84657 3.09473 -173.60385 1132.50233
205.0000 -183.80529 -172.50659 11.29870 3.15845 -172.44048 1174.39885
210.0000 -182.83058 -171.69341 11.13717 3.19464 -171.77981 1202.75238
215.0000 -183.59702 -171.47324 12.12378 3.19016 -171.86168 1169.93031
220.0000 -185.22967 -172.04189 13.18778 3.17932 -172.05949 1193.47186
225.0000 -184.20120 -172.36862 11.83258 3.17592 -172.12162 1178.53919
230.0000 -184.42050 -171.81297 12.60753 3.15818 -172.44556 1172.46147
235.0000 -184.77336 -171.68739 13.08597 3.18060 -172.03614 1200.55482
240.0000 -181.34998 -169.22373 12.12626 3.30415 -169.78080 1318.36477
245.0000 -183.87920 -170.93720 12.94199 3.28884 -170.06018 1274.44163
250.0000 -186.39653 -175.60239 10.79414 3.02546 -174.86836 1098.71752
FREEZING PROCESS: loop number 2 T-loop= 1133.0000000000000
main_MD> interactions number 2 at Temperature= 1133.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33634 1.58208 2.10000
force_rgl> df(natom) 1.02060 0.51952 -2.51969
255.0000 -184.25278 -173.10831 11.14447 3.04931 -174.43304 1091.84894
260.0000 -183.76272 -173.11920 10.64353 3.14366 -172.71055 1166.72965
265.0000 -186.64923 -175.63429 11.01494 3.03113 -174.76495 1068.74482
270.0000 -185.77352 -173.64833 12.12519 3.00327 -175.27341 1054.77800
275.0000 -184.43585 -173.59860 10.83725 3.09554 -173.58911 1107.05874
280.0000 -183.35945 -171.17894 12.18051 3.16430 -172.33377 1166.21663
285.0000 -186.62652 -173.28345 13.34308 3.19962 -171.68890 1215.01912
290.0000 -182.33536 -170.09583 12.23953 3.15451 -172.51257 1194.02022
295.0000 -184.26412 -174.56593 9.69818 3.16668 -172.29040 1184.58278
300.0000 -184.03054 -172.39827 11.63227 3.12267 -173.09367 1169.28631
305.0000 -185.69336 -174.52546 11.16790 3.07249 -174.00987 1145.25988
310.0000 -186.94952 -176.20122 10.74831 2.99756 -175.37780 1060.83111
315.0000 -186.04011 -172.73330 13.30680 3.02922 -174.79976 1086.79333
320.0000 -182.62292 -168.79311 13.82982 3.24001 -170.95157 1242.68064
325.0000 -185.24006 -172.76591 12.47415 3.24500 -170.86063 1201.98898
330.0000 -184.47650 -174.62310 9.85340 3.05134 -174.39597 1097.28999
335.0000 -185.48428 -174.48853 10.99575 3.03445 -174.70432 1085.54863
340.0000 -187.52230 -175.10059 12.42171 3.00377 -175.26436 1074.78096
345.0000 -186.46660 -174.26044 12.20616 3.04851 -174.44757 1097.60290
350.0000 -186.31732 -173.50527 12.81205 3.07027 -174.05036 1108.92613
355.0000 -185.86063 -173.78466 12.07597 3.05583 -174.31391 1138.61053
360.0000 -184.46154 -171.17044 13.29110 3.15964 -172.41890 1175.74571
365.0000 -184.56828 -172.87547 11.69281 3.19142 -171.83872 1186.84787
370.0000 -184.48612 -172.04244 12.44368 3.14740 -172.64227 1154.94461
375.0000 -187.14996 -175.88265 11.26730 3.09437 -173.61032 1146.12622
380.0000 -184.44536 -173.12271 11.32266 3.03054 -174.77560 1102.87586
385.0000 -182.75078 -172.02537 10.72540 3.10105 -173.48837 1153.02989
390.0000 -183.30352 -171.36526 11.93827 3.18512 -171.95374 1205.34825
395.0000 -182.10002 -170.15477 11.94525 3.19673 -171.74170 1178.92571
400.0000 -187.03588 -175.20254 11.83333 3.14219 -172.73742 1141.47195
405.0000 -184.97967 -174.24519 10.73447 3.02913 -174.80141 1079.11499
410.0000 -182.80285 -172.30121 10.50164 3.12056 -173.13232 1150.58444
415.0000 -185.09149 -172.74569 12.34579 3.19412 -171.78938 1221.37188
420.0000 -183.43304 -171.65556 11.77748 3.18202 -172.01023 1230.68203
425.0000 -185.46805 -174.88726 10.58079 3.13906 -172.79455 1161.74485
430.0000 -185.63179 -176.14461 9.48718 2.97365 -175.81419 1047.43596
435.0000 -186.28686 -177.35535 8.93152 2.91891 -176.81347 1023.24938
440.0000 -187.03438 -176.05652 10.97786 2.96300 -176.00868 1033.63728
445.0000 -186.79588 -174.37809 12.41779 3.08782 -173.72995 1145.80222
450.0000 -184.34127 -172.26347 12.07780 3.08138 -173.84751 1133.87614
455.0000 -184.57654 -172.44808 12.12846 3.17038 -172.22286 1234.42079
460.0000 -182.60954 -171.05139 11.55816 3.16861 -172.25513 1189.42893
465.0000 -185.91892 -173.57614 12.34278 3.16313 -172.35508 1166.43946
470.0000 -184.00483 -171.33565 12.66918 3.18509 -171.95417 1192.72368
475.0000 -185.77999 -174.69624 11.08375 3.12310 -173.08595 1173.74145
480.0000 -185.52345 -173.50251 12.02094 3.04739 -174.46794 1097.54709
485.0000 -186.63321 -174.10760 12.52560 3.05491 -174.33084 1104.97696
490.0000 -184.12344 -173.67182 10.45161 3.15539 -172.49642 1183.97619
495.0000 -183.83043 -173.46558 10.36485 3.03788 -174.64160 1101.05435
500.0000 -187.19101 -176.30280 10.88821 3.05399 -174.34755 1100.66878
FREEZING PROCESS: loop number 3 T-loop= 1108.0000000000000
main_MD> interactions number 3 at Temperature= 1108.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35403 -0.20058 -0.76540
force_rgl> df(natom) 0.48334 4.55007 2.87236
505.0000 -186.74608 -175.42030 11.32578 2.97919 -175.71307 1049.05274
510.0000 -187.13259 -176.59026 10.54233 2.95592 -176.13792 1040.13845
515.0000 -187.22604 -176.51476 10.71129 2.97365 -175.81413 1095.04058
520.0000 -187.39647 -174.88601 12.51046 2.92341 -176.73139 1036.36727
525.0000 -181.93186 -169.35233 12.57953 3.14898 -172.61339 1214.76231
530.0000 -183.70809 -171.15643 12.55167 3.22091 -171.30024 1252.16607
535.0000 -185.97249 -172.66150 13.31100 3.09732 -173.55647 1134.50104
540.0000 -183.11016 -173.04658 10.06357 3.17320 -172.17125 1186.50794
545.0000 -183.43095 -173.74563 9.68532 3.17434 -172.15054 1139.07176
550.0000 -185.27133 -174.47425 10.79707 3.09048 -173.68136 1130.85041
555.0000 -184.80654 -173.90247 10.90406 3.04335 -174.54178 1080.47375
560.0000 -186.86712 -174.02877 12.83835 3.04344 -174.54021 1077.32955
565.0000 -185.02626 -175.32643 9.69983 2.97725 -175.74848 1061.37936
570.0000 -184.13460 -172.24981 11.88478 3.07848 -173.90048 1100.12320
575.0000 -185.40329 -174.95945 10.44384 3.15086 -172.57912 1155.84735
580.0000 -186.22906 -174.04459 12.18447 3.01846 -174.99620 1077.79759
585.0000 -186.56134 -175.50846 11.05288 3.00616 -175.22078 1074.71432
590.0000 -185.10652 -175.86406 9.24246 2.93309 -176.55458 1008.05898
595.0000 -185.09524 -174.62400 10.47124 3.05081 -174.40554 1091.83774
600.0000 -184.60623 -175.02741 9.57882 3.03466 -174.70040 1097.14598
605.0000 -184.21260 -170.97456 13.23805 3.09652 -173.57117 1139.54161
610.0000 -185.10390 -173.81748 11.28643 3.09431 -173.61147 1126.89015
615.0000 -185.67903 -173.54706 12.13196 3.05084 -174.40509 1101.95502
620.0000 -184.35104 -173.66201 10.68903 3.16291 -172.35916 1172.10201
625.0000 -185.93752 -173.36532 12.57220 3.07151 -174.02762 1115.95903
630.0000 -187.33188 -176.43755 10.89433 3.04374 -174.53470 1110.06097
635.0000 -186.66598 -175.33821 11.32777 2.98779 -175.55602 1058.59857
640.0000 -188.31967 -176.74526 11.57441 2.97170 -175.84980 1071.75623
645.0000 -185.51166 -174.95062 10.56105 2.96426 -175.98558 1049.37270
650.0000 -186.81079 -175.80143 11.00936 3.00395 -175.26099 1084.54921
655.0000 -186.72238 -174.73015 11.99223 3.03672 -174.66274 1089.40924
660.0000 -187.71172 -176.90365 10.80807 2.98306 -175.64239 1056.58987
665.0000 -187.30874 -175.57307 11.73567 3.04362 -174.53686 1125.72273
670.0000 -184.17101 -172.70127 11.46974 3.03985 -174.60569 1074.07652
675.0000 -185.31794 -173.87898 11.43896 3.12893 -172.97956 1185.64397
680.0000 -184.40753 -174.09906 10.30847 3.02509 -174.87512 1075.06593
685.0000 -184.71575 -173.95092 10.76484 3.06128 -174.21442 1107.25585
690.0000 -185.81711 -176.13546 9.68166 2.99709 -175.38628 1032.48425
695.0000 -187.63581 -175.39552 12.24029 3.01099 -175.13252 1065.56743
700.0000 -185.70147 -173.70556 11.99591 3.07828 -173.90411 1117.48075
705.0000 -186.00791 -176.24666 9.76125 3.00838 -175.18012 1103.22696
710.0000 -186.10755 -176.62193 9.48562 2.98923 -175.52982 1078.87943
715.0000 -186.74016 -174.72368 12.01648 3.01229 -175.10887 1083.12625
720.0000 -187.42433 -175.25843 12.16590 3.02917 -174.80056 1083.68299
725.0000 -184.81593 -175.22215 9.59377 3.04249 -174.55754 1106.87135
730.0000 -186.39859 -176.27122 10.12738 3.05381 -174.35077 1103.91659
735.0000 -185.45867 -172.79315 12.66552 3.07036 -174.04867 1080.21550
740.0000 -186.17798 -174.65930 11.51868 3.12729 -173.00942 1159.50932
745.0000 -186.00008 -173.49529 12.50479 3.09080 -173.67561 1141.12954
750.0000 -186.41222 -174.07216 12.34006 3.05448 -174.33854 1114.93872
FREEZING PROCESS: loop number 4 T-loop= 1083.0000000000000
main_MD> interactions number 4 at Temperature= 1083.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94342 -0.49730 0.47168
force_rgl> df(natom) -0.52425 -1.60286 0.19661
755.0000 -186.06610 -174.96169 11.10441 3.02556 -174.86647 1080.64244
760.0000 -187.44269 -176.17111 11.27158 2.95851 -176.09058 1031.66363
765.0000 -186.20974 -175.65061 10.55913 2.98103 -175.67946 1094.08906
770.0000 -185.73395 -175.07765 10.65629 3.03828 -174.63432 1092.63566
775.0000 -185.99716 -175.76115 10.23601 3.00426 -175.25546 1099.23961
780.0000 -188.65387 -179.20618 9.44769 2.92902 -176.62893 1033.24238
785.0000 -184.85680 -173.63514 11.22165 2.94528 -176.33213 1031.65405
790.0000 -187.20815 -175.00047 12.20769 3.11662 -173.20418 1155.68644
795.0000 -186.62675 -174.89509 11.73166 3.00682 -175.20861 1067.49198
800.0000 -182.55332 -171.50337 11.04995 3.14307 -172.72138 1194.51015
805.0000 -187.15719 -175.29163 11.86556 3.06610 -174.12638 1126.38459
810.0000 -187.39018 -176.58146 10.80872 2.98876 -175.53828 1075.88744
815.0000 -188.16139 -177.98572 10.17568 2.90614 -177.04664 985.97648
820.0000 -186.33515 -175.03952 11.29563 2.91104 -176.95717 1044.09739
825.0000 -183.29242 -173.72097 9.57145 3.00999 -175.15079 1089.96009
830.0000 -187.10625 -176.54365 10.56260 3.03242 -174.74129 1064.00665
835.0000 -187.13364 -175.07080 12.06284 2.96971 -175.88615 1060.40871
840.0000 -186.56222 -175.73037 10.83185 3.03547 -174.68563 1108.25284
845.0000 -184.72497 -173.63483 11.09014 3.01702 -175.02254 1057.32601
850.0000 -184.86254 -173.59922 11.26332 3.08967 -173.69612 1133.56405
855.0000 -184.77686 -174.52025 10.25661 3.10753 -173.37013 1159.09352
860.0000 -187.89352 -176.54442 11.34910 2.98095 -175.68089 1070.01479
865.0000 -186.12566 -176.23709 9.88858 2.98972 -175.52087 1070.17925
870.0000 -183.52993 -172.92030 10.60963 2.96548 -175.96327 1072.10538
875.0000 -183.79687 -173.00800 10.78888 3.08903 -173.70787 1151.43230
880.0000 -186.12064 -175.15997 10.96067 3.07513 -173.96168 1156.86082
885.0000 -186.89821 -177.80928 9.08894 2.97914 -175.71389 1070.34875
890.0000 -186.75586 -175.42013 11.33573 2.91425 -176.89852 1028.75498
895.0000 -187.76604 -175.26357 12.50248 2.97394 -175.80892 1060.27367
900.0000 -188.19769 -176.05757 12.14012 2.98461 -175.61417 1089.22770
905.0000 -186.87307 -175.03381 11.83926 2.97304 -175.82537 1065.94119
910.0000 -187.57332 -177.19293 10.38039 2.92031 -176.78787 1007.63771
915.0000 -187.13757 -177.38763 9.74994 2.94687 -176.30304 1042.07105
920.0000 -186.18001 -174.85859 11.32141 2.96476 -175.97646 1051.25577
925.0000 -185.83893 -173.95472 11.88421 3.04768 -174.46274 1096.79890
930.0000 -186.22572 -174.65313 11.57259 3.05170 -174.38928 1094.56012
935.0000 -186.37495 -175.17143 11.20352 2.98132 -175.67415 1082.35430
940.0000 -186.94224 -175.24961 11.69263 3.04109 -174.58297 1066.77491
945.0000 -187.83279 -176.76341 11.06938 2.86354 -177.82436 1006.54709
950.0000 -188.24276 -176.83001 11.41276 2.97037 -175.87414 1086.62012
955.0000 -187.63210 -177.03750 10.59460 2.94471 -176.34260 1033.49818
960.0000 -185.67632 -175.68164 9.99468 2.93731 -176.47754 1013.40338
965.0000 -186.90120 -175.54649 11.35471 2.99382 -175.44597 1078.36198
970.0000 -186.62899 -176.92817 9.70082 2.97163 -175.85107 1068.60788
975.0000 -187.58312 -177.62476 9.95836 2.94019 -176.42506 1046.09107
980.0000 -185.62547 -175.20413 10.42134 2.94452 -176.34600 1049.54564
985.0000 -185.90189 -175.53406 10.36783 3.05761 -174.28149 1105.57057
990.0000 -186.78791 -177.17738 9.61053 2.95913 -176.07930 1026.09745
995.0000 -185.95142 -175.67195 10.27948 2.93052 -176.60160 1013.28437
1000.0000 -186.56378 -175.90916 10.65461 3.02476 -174.88110 1095.92271
FREEZING PROCESS: loop number 5 T-loop= 1058.0000000000000
main_MD> interactions number 5 at Temperature= 1058.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08601 3.07382 3.47171
force_rgl> df(natom) 2.06507 0.08257 1.39357
1005.0000 -188.83190 -177.85478 10.97712 2.87500 -177.61516 988.38721
1010.0000 -187.26447 -176.73463 10.52984 2.90601 -177.04897 1018.35985
1015.0000 -188.24973 -177.39065 10.85908 2.89486 -177.25253 1027.93758
1020.0000 -186.85784 -176.66192 10.19592 2.94285 -176.37643 1043.39291
1025.0000 -187.90895 -176.83300 11.07595 2.92155 -176.76531 1025.01898
1030.0000 -185.79319 -173.12143 12.67176 2.97457 -175.79739 1061.34311
1035.0000 -185.18298 -174.56356 10.61941 3.04261 -174.55526 1106.88192
1040.0000 -184.98196 -173.39113 11.59084 3.06798 -174.09212 1126.70992
1045.0000 -184.26067 -174.00175 10.25892 3.11521 -173.22990 1163.85229
1050.0000 -182.83059 -173.54536 9.28523 3.07870 -173.89645 1108.38741
1055.0000 -186.09288 -175.49306 10.59982 3.02496 -174.87747 1098.44311
1060.0000 -186.06260 -176.09846 9.96414 3.00383 -175.26320 1073.84637
1065.0000 -187.77732 -177.13510 10.64222 2.84968 -178.07729 989.40853
1070.0000 -187.74979 -177.66189 10.08790 2.87983 -177.52702 995.20274
1075.0000 -187.90718 -176.99237 10.91481 2.88211 -177.48523 998.22705
1080.0000 -186.27068 -177.18554 9.08514 2.93096 -176.59358 1049.37635
1085.0000 -187.03371 -176.36461 10.66910 2.96972 -175.88595 1072.97762
1090.0000 -185.47157 -174.90796 10.56361 2.94461 -176.34430 1054.17324
1095.0000 -187.58485 -177.51618 10.06867 2.94677 -176.30489 1060.58437
1100.0000 -185.49640 -175.44967 10.04673 2.88686 -177.39866 993.46973
1105.0000 -186.94372 -175.31167 11.63205 2.99535 -175.41808 1062.55690
1110.0000 -184.90172 -175.73389 9.16783 2.95526 -176.14990 1057.90714
1115.0000 -184.96617 -174.69585 10.27033 2.97083 -175.86561 1050.95189
1120.0000 -187.32417 -176.79563 10.52853 2.95604 -176.13572 1050.74781
1125.0000 -187.28902 -177.04787 10.24114 2.95598 -176.13682 1065.10073
1130.0000 -186.92584 -176.66723 10.25861 2.88144 -177.49752 979.60280
1135.0000 -185.07154 -174.20759 10.86395 2.99390 -175.44448 1065.43896
1140.0000 -184.84132 -174.18116 10.66016 3.05218 -174.38067 1096.14864
1145.0000 -184.14931 -174.45867 9.69064 3.04543 -174.50384 1106.95564
1150.0000 -186.11410 -175.24210 10.87201 3.05589 -174.31279 1093.74308
1155.0000 -185.58788 -175.60100 9.98689 2.94969 -176.25167 1042.38902
1160.0000 -186.73818 -176.91688 9.82131 2.96361 -175.99748 1043.09646
1165.0000 -187.61975 -177.94530 9.67445 2.86689 -177.76313 972.93095
1170.0000 -187.02051 -176.24345 10.77706 2.95805 -176.09905 1054.86586
1175.0000 -186.90546 -176.11613 10.78933 2.91593 -176.86785 1034.49988
1180.0000 -187.73544 -175.55821 12.17723 2.96777 -175.92154 1066.52563
1185.0000 -185.10355 -176.47101 8.63254 2.94059 -176.41771 1063.71453
1190.0000 -186.89708 -177.43485 9.46223 2.89482 -177.25325 1027.57225
1195.0000 -188.85626 -178.39048 10.46579 2.89601 -177.23156 1001.90204
1200.0000 -186.00166 -176.04311 9.95855 2.86002 -177.88856 980.64094
1205.0000 -187.19490 -176.80963 10.38528 2.91740 -176.84115 1028.19647
1210.0000 -186.65758 -176.95829 9.69929 2.87227 -177.66492 987.46692
1215.0000 -186.59368 -175.23263 11.36105 2.97160 -175.85163 1066.26116
1220.0000 -187.77427 -177.74867 10.02561 2.90418 -177.08250 1000.45795
1225.0000 -185.38763 -175.36619 10.02144 3.05644 -174.30284 1101.92488
1230.0000 -187.33915 -175.78255 11.55660 2.94604 -176.31815 1013.23572
1235.0000 -186.70231 -175.71188 10.99044 3.00708 -175.20398 1091.62200
1240.0000 -185.75285 -175.62022 10.13263 2.94482 -176.34051 1034.76914
1245.0000 -186.81127 -174.54779 12.26348 3.06972 -174.06045 1171.11285
1250.0000 -184.99824 -171.74959 13.24865 3.10431 -173.42896 1140.84960
FREEZING PROCESS: loop number 6 T-loop= 1033.0000000000000
main_MD> interactions number 6 at Temperature= 1033.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16467 -0.46209 2.75612
force_rgl> df(natom) -2.18735 -4.19300 -0.49960
1255.0000 -186.89990 -177.38232 9.51758 3.04495 -174.51254 1087.95754
1260.0000 -185.87917 -176.38923 9.48994 2.89311 -177.28459 1006.05333
1265.0000 -186.03983 -177.16485 8.87498 3.00978 -175.15463 1088.14556
1270.0000 -187.40944 -177.48123 9.92821 2.90809 -177.01109 982.98075
1275.0000 -187.53039 -176.81600 10.71439 2.94650 -176.30985 1033.97121
1280.0000 -183.80855 -173.99042 9.81813 2.96838 -175.91033 1040.23149
1285.0000 -186.32236 -176.23199 10.09038 3.00793 -175.18845 1054.05650
1290.0000 -186.93520 -175.61667 11.31853 3.01468 -175.06509 1073.90045
1295.0000 -188.49949 -177.01388 11.48561 2.88130 -177.50002 996.50550
1300.0000 -185.71575 -173.18892 12.52683 3.06029 -174.23254 1110.45738
1305.0000 -189.15118 -176.71452 12.43666 3.00665 -175.21169 1105.47590
1310.0000 -187.45395 -175.58680 11.86714 2.93375 -176.54254 1043.21040
1315.0000 -186.39106 -176.50366 9.88739 2.99598 -175.40649 1079.02983
1320.0000 -186.40851 -178.06931 8.33919 2.92762 -176.65459 1021.15478
1325.0000 -185.47880 -175.86828 9.61052 2.86667 -177.76718 979.79097
1330.0000 -186.26451 -176.65817 9.60634 2.93461 -176.52692 1029.44207
1335.0000 -187.33050 -177.63753 9.69297 2.87995 -177.52470 1028.11975
1340.0000 -189.93732 -180.82824 9.10908 2.79658 -179.04666 959.44435
1345.0000 -187.87577 -178.48613 9.38964 2.76968 -179.53782 921.42537
1350.0000 -188.25528 -178.50259 9.75269 2.82523 -178.52379 976.44302
1355.0000 -186.39393 -176.01685 10.37707 2.87964 -177.53044 979.14848
1360.0000 -187.84350 -176.20867 11.63483 2.92392 -176.72201 1032.66182
1365.0000 -188.40006 -177.92393 10.47613 2.94937 -176.25744 1049.56857
1370.0000 -187.20362 -177.52737 9.67625 2.90770 -177.01812 1034.77469
1375.0000 -185.63985 -175.84511 9.79474 2.90904 -176.99369 1003.64351
1380.0000 -185.62668 -173.88755 11.73912 3.04637 -174.48673 1100.46501
1385.0000 -185.98685 -175.69090 10.29595 3.10201 -173.47091 1142.64714
1390.0000 -186.89231 -175.57482 11.31750 2.98837 -175.54549 1058.46370
1395.0000 -187.27652 -177.49018 9.78634 2.97823 -175.73062 1062.20913
1400.0000 -186.35584 -174.75497 11.60087 2.99751 -175.37864 1066.63538
1405.0000 -185.96482 -175.35624 10.60858 3.03423 -174.70832 1110.60197
1410.0000 -186.49759 -174.53424 11.96335 3.00373 -175.26499 1094.27957
1415.0000 -186.93647 -176.67276 10.26370 3.00942 -175.16113 1092.41023
1420.0000 -188.25671 -178.34265 9.91406 2.87642 -177.58919 988.11082
1425.0000 -188.81859 -179.57350 9.24509 2.80004 -178.98363 951.37055
1430.0000 -187.26348 -177.13756 10.12592 2.90753 -177.02129 1016.94127
1435.0000 -186.39013 -176.18228 10.20785 2.92892 -176.63085 1028.68500
1440.0000 -186.50975 -175.38449 11.12526 2.97472 -175.79474 1049.79554
1445.0000 -188.02640 -176.07987 11.94653 2.94653 -176.30928 997.21471
1450.0000 -186.29855 -175.71364 10.58491 2.91585 -176.86944 984.11240
1455.0000 -187.58274 -177.54107 10.04167 2.95576 -176.14070 1031.11805
1460.0000 -187.99598 -177.25170 10.74428 2.88102 -177.50513 1008.47548
1465.0000 -187.41474 -176.85604 10.55869 2.87186 -177.67237 1022.33640
1470.0000 -185.03624 -174.78519 10.25106 2.97896 -175.71724 1053.25070
1475.0000 -186.80522 -176.56223 10.24299 2.95580 -176.14004 1049.56865
1480.0000 -189.28788 -176.38442 12.90346 2.93061 -176.59989 1021.22136
1485.0000 -187.16474 -175.81301 11.35173 2.96732 -175.92968 1084.06091
1490.0000 -186.13478 -177.22398 8.91080 2.95399 -176.17313 1051.38721
1495.0000 -187.91800 -178.68422 9.23378 2.91772 -176.83529 984.21394
1500.0000 -188.34221 -177.79965 10.54256 2.81907 -178.63620 938.52600
FREEZING PROCESS: loop number 7 T-loop= 1008.0000000000000
main_MD> interactions number 7 at Temperature= 1008.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66898 -2.44243 1.47435
force_rgl> df(natom) -0.12343 -0.21943 -0.91400
1505.0000 -187.31010 -177.48500 9.82510 2.85282 -178.02011 973.96738
1510.0000 -187.89684 -176.94714 10.94970 2.92338 -176.73199 1022.81880
1515.0000 -187.99961 -178.28572 9.71389 2.84240 -178.21025 958.25716
1520.0000 -187.34672 -178.68922 8.65750 2.88452 -177.44140 997.59300
1525.0000 -186.15215 -176.73934 9.41281 2.84213 -178.21511 970.69727
1530.0000 -187.24903 -176.02412 11.22491 2.86904 -177.72391 983.22275
1535.0000 -188.37822 -175.84363 12.53459 3.00132 -175.30898 1072.95373
1540.0000 -188.58688 -178.95644 9.63045 2.82912 -178.45262 970.15635
1545.0000 -187.18993 -177.46061 9.72933 2.87118 -177.68477 968.61133
1550.0000 -185.55755 -175.86897 9.68858 2.92675 -176.67047 1012.10093
1555.0000 -187.16319 -176.72764 10.43555 2.93561 -176.50862 1034.26504
1560.0000 -187.09235 -176.05556 11.03679 2.89510 -177.24812 996.08805
1565.0000 -184.75860 -176.83576 7.92284 2.95034 -176.23981 1019.31130
1570.0000 -188.61070 -177.47141 11.13929 2.85763 -177.93229 975.84498
1575.0000 -188.56534 -178.34600 10.21934 2.84816 -178.10506 982.80872
1580.0000 -187.30966 -176.79449 10.51518 2.86894 -177.72581 1005.37422
1585.0000 -187.79323 -177.66784 10.12540 2.92266 -176.74500 1041.70091
1590.0000 -187.87230 -176.63402 11.23828 2.90809 -177.01103 1047.04078
1595.0000 -187.27712 -177.13632 10.14080 2.84226 -178.21287 978.40897
1600.0000 -188.14742 -177.82982 10.31759 2.90501 -177.06729 995.04096
1605.0000 -188.95205 -179.54925 9.40279 2.80217 -178.94474 966.62456
1610.0000 -188.16926 -177.12638 11.04289 2.77025 -179.52733 934.44558
1615.0000 -188.83148 -178.16866 10.66282 2.86244 -177.84448 1002.73891
1620.0000 -186.21311 -175.67584 10.53727 2.83347 -178.37321 979.94859
1625.0000 -186.71726 -176.56177 10.15549 2.95162 -176.21639 1064.08047
1630.0000 -187.89009 -176.60709 11.28300 2.89560 -177.23908 1021.95834
1635.0000 -187.71645 -178.20390 9.51255 2.88222 -177.48329 999.35480
1640.0000 -186.79840 -177.02800 9.77040 2.87826 -177.55566 985.92583
1645.0000 -186.43589 -177.21590 9.21999 2.89592 -177.23315 1002.75829
1650.0000 -185.60490 -176.49963 9.10527 2.88130 -177.50008 996.58253
1655.0000 -187.66955 -177.04606 10.62348 2.88683 -177.39911 1012.85668
1660.0000 -189.24331 -177.13252 12.11078 2.85680 -177.94745 976.44219
1665.0000 -186.59685 -175.85007 10.74678 2.93946 -176.43844 1017.50522
1670.0000 -190.90193 -180.58038 10.32156 2.90371 -177.09092 1004.61915
1675.0000 -187.64150 -177.95826 9.68324 2.82069 -178.60664 953.71701
1680.0000 -188.39229 -179.30540 9.08689 2.82411 -178.54410 968.28054
1685.0000 -188.03590 -179.04948 8.98643 2.72087 -180.42877 891.72944
1690.0000 -187.80029 -177.15201 10.64828 2.85665 -177.95003 976.39933
1695.0000 -184.95109 -174.84655 10.10454 2.92903 -176.62877 1018.14107
1700.0000 -186.95242 -176.53352 10.41890 2.96748 -175.92689 1025.57490
1705.0000 -188.20184 -178.39501 9.80683 2.80478 -178.89699 939.57177
1710.0000 -189.16975 -179.64338 9.52637 2.82647 -178.50112 979.42037
1715.0000 -187.56755 -177.78248 9.78507 2.82491 -178.52955 937.51575
1720.0000 -186.97856 -175.82217 11.15640 2.91871 -176.81716 1047.36851
1725.0000 -186.74696 -175.90896 10.83800 2.97238 -175.83738 1085.17180
1730.0000 -184.54476 -175.45357 9.09119 2.96533 -175.96618 1071.51603
1735.0000 -185.85585 -175.19884 10.65701 3.01571 -175.04643 1072.16207
1740.0000 -187.36914 -176.89486 10.47429 2.97137 -175.85584 1056.28808
1745.0000 -187.14943 -175.44474 11.70469 2.90858 -177.00204 1046.93914
1750.0000 -187.59696 -178.18338 9.41358 2.85675 -177.94825 963.77653
FREEZING PROCESS: loop number 8 T-loop= 983.00000000000000
main_MD> interactions number 8 at Temperature= 983.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51702 -3.40383 -0.82847
force_rgl> df(natom) 0.18770 0.01309 -1.25219
1755.0000 -185.56247 -176.07599 9.48648 2.95806 -176.09877 1041.40493
1760.0000 -186.72587 -178.31884 8.40702 2.85322 -178.01271 974.29876
1765.0000 -189.72265 -179.65652 10.06613 2.78341 -179.28711 919.44995
1770.0000 -188.30005 -176.53206 11.76799 2.85269 -178.02237 989.43848
1775.0000 -187.57369 -178.97357 8.60012 2.85045 -178.06333 979.08734
1780.0000 -188.89274 -180.13737 8.75538 2.76947 -179.54162 903.07933
1785.0000 -188.80665 -178.86536 9.94130 2.80043 -178.97639 949.87165
1790.0000 -189.34248 -178.95309 10.38939 2.80159 -178.95532 938.89990
1795.0000 -187.37963 -175.89800 11.48163 2.87595 -177.59784 1020.04373
1800.0000 -187.56212 -177.61314 9.94898 2.93892 -176.44824 1028.80243
1805.0000 -187.38606 -177.39540 9.99066 2.88724 -177.39172 991.26978
1810.0000 -189.59784 -180.45559 9.14224 2.77886 -179.37020 937.86976
1815.0000 -189.73177 -181.46050 8.27127 2.68412 -181.09968 872.74844
1820.0000 -187.62601 -178.53309 9.09292 2.81484 -178.71333 958.61856
1825.0000 -189.24534 -179.45777 9.78757 2.79605 -179.05645 966.55056
1830.0000 -187.14770 -177.44333 9.70437 2.88000 -177.52391 986.77065
1835.0000 -189.20259 -177.22327 11.97932 2.87404 -177.63257 992.37770
1840.0000 -188.77358 -180.04491 8.72867 2.84693 -178.12747 991.51914
1845.0000 -187.78026 -175.72687 12.05339 2.86276 -177.83848 962.43353
1850.0000 -188.53815 -178.36665 10.17151 2.91851 -176.82090 1025.47349
1855.0000 -188.91512 -179.57634 9.33879 2.74663 -179.95854 878.98370
1860.0000 -188.71107 -179.13147 9.57960 2.76213 -179.67559 926.90339
1865.0000 -188.47093 -180.01589 8.45504 2.75125 -179.87432 904.01756
1870.0000 -188.25819 -180.17217 8.08602 2.68971 -180.99765 877.14787
1875.0000 -188.80080 -178.20085 10.59995 2.83173 -178.40508 966.02172
1880.0000 -188.15246 -176.55214 11.60032 2.89354 -177.27665 1018.42933
1885.0000 -187.07406 -175.10826 11.96580 2.97647 -175.76277 1066.92230
1890.0000 -187.45296 -176.04275 11.41021 3.00913 -175.16651 1089.83200
1895.0000 -187.05616 -176.18485 10.87131 2.93579 -176.50538 1045.80196
1900.0000 -189.70699 -180.12382 9.58317 2.84529 -178.15752 962.60463
1905.0000 -188.49477 -179.59654 8.89822 2.75501 -179.80564 879.35336
1910.0000 -187.52224 -179.19727 8.32497 2.77586 -179.42496 924.06873
1915.0000 -188.86973 -178.45939 10.41033 2.78279 -179.29850 920.23862
1920.0000 -187.57779 -177.59142 9.98637 2.85974 -177.89362 995.40334
1925.0000 -190.76662 -182.33972 8.42690 2.74582 -179.97344 942.66351
1930.0000 -189.14638 -179.00779 10.13859 2.72817 -180.29553 917.09947
1935.0000 -186.57261 -177.41962 9.15300 2.84791 -178.10964 965.67141
1940.0000 -186.94969 -176.57176 10.37793 2.87345 -177.64349 948.54647
1945.0000 -185.76146 -174.42146 11.34000 2.99469 -175.43003 1054.38963
1950.0000 -185.10818 -175.00784 10.10035 3.03587 -174.67825 1099.49328
1955.0000 -186.98656 -177.27300 9.71357 2.97033 -175.87480 1033.29104
1960.0000 -188.01182 -177.82101 10.19081 3.00178 -175.30073 1073.10395
1965.0000 -188.76424 -180.38274 8.38150 2.75223 -179.85630 944.65176
1970.0000 -188.20522 -179.50120 8.70402 2.71307 -180.57127 862.52795
1975.0000 -188.85520 -180.63436 8.22084 2.75451 -179.81474 908.91402
1980.0000 -188.10261 -179.42544 8.67718 2.72816 -180.29575 900.01592
1985.0000 -187.65154 -179.02359 8.62794 2.76044 -179.70653 925.79568
1990.0000 -188.93985 -180.02764 8.91221 2.78241 -179.30533 910.40815
1995.0000 -187.19048 -177.90645 9.28404 2.84739 -178.11908 991.90326
2000.0000 -187.81570 -179.33946 8.47624 2.82196 -178.58337 964.18494
FREEZING PROCESS: loop number 9 T-loop= 958.00000000000000
main_MD> interactions number 9 at Temperature= 958.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.14240 0.26791 3.30634
force_rgl> df(natom) -1.07449 -1.05881 -1.47695
2005.0000 -187.76044 -178.42280 9.33764 2.80962 -178.80867 932.16690
2010.0000 -187.44070 -178.30197 9.13873 2.81749 -178.66492 972.67316
2015.0000 -189.25886 -180.26872 8.99014 2.80299 -178.92973 916.54378
2020.0000 -188.15594 -178.62708 9.52886 2.76626 -179.60032 931.28840
2025.0000 -187.88250 -178.08814 9.79436 2.80964 -178.80838 969.17269
2030.0000 -186.91011 -176.77046 10.13965 2.85209 -178.03340 981.89072
2035.0000 -187.81640 -179.34995 8.46645 2.86259 -177.84163 980.38171
2040.0000 -188.24390 -176.84624 11.39767 2.87910 -177.54032 992.83173
2045.0000 -188.91960 -179.10523 9.81437 2.85165 -178.04144 981.24411
2050.0000 -190.07707 -181.10035 8.97672 2.69206 -180.95478 871.31636
2055.0000 -190.27871 -180.40735 9.87137 2.72423 -180.36744 903.27458
2060.0000 -188.54145 -179.33734 9.20411 2.78542 -179.25040 959.01631
2065.0000 -189.72831 -179.77477 9.95353 2.76436 -179.63493 916.22219
2070.0000 -189.64135 -180.98267 8.65868 2.77523 -179.43653 936.29677
2075.0000 -190.68382 -181.39551 9.28831 2.68364 -181.10844 883.48719
2080.0000 -188.47440 -178.76514 9.70926 2.77109 -179.51210 942.74044
2085.0000 -188.99582 -179.67880 9.31701 2.81542 -178.70275 954.35940
2090.0000 -188.51383 -179.29391 9.21992 2.79997 -178.98477 955.41782
2095.0000 -188.78641 -178.32923 10.45717 2.80542 -178.88534 963.80937
2100.0000 -189.65191 -180.21938 9.43253 2.78969 -179.17247 940.68690
2105.0000 -188.90256 -180.52299 8.37956 2.67579 -181.25179 872.17291
2110.0000 -189.47655 -179.73450 9.74204 2.74209 -180.04152 920.45021
2115.0000 -188.99925 -179.35380 9.64545 2.78239 -179.30580 937.40747
2120.0000 -189.90493 -180.20480 9.70012 2.74292 -180.02639 906.63841
2125.0000 -189.39049 -178.87144 10.51905 2.73926 -180.09318 903.71734
2130.0000 -188.05442 -179.87349 8.18093 2.81834 -178.64947 977.98909
2135.0000 -189.12606 -180.15862 8.96744 2.76205 -179.67710 924.72048
2140.0000 -188.34812 -178.86130 9.48682 2.79073 -179.15357 949.28821
2145.0000 -190.04781 -180.33543 9.71238 2.78676 -179.22603 932.39618
2150.0000 -186.91181 -177.42931 9.48250 2.81228 -178.76013 929.51107
2155.0000 -187.27140 -177.18160 10.08981 2.93768 -176.47084 1011.84625
2160.0000 -189.48469 -179.29821 10.18648 2.84046 -178.24574 981.52230
2165.0000 -188.09172 -179.89191 8.19981 2.78622 -179.23592 944.39981
2170.0000 -187.09336 -178.09206 9.00130 2.76343 -179.65196 921.27161
2175.0000 -188.44580 -177.12318 11.32262 2.88369 -177.45653 1009.06403
2180.0000 -187.76725 -177.77062 9.99663 2.90552 -177.05786 992.79684
2185.0000 -187.71616 -177.18564 10.53052 2.91183 -176.94275 1038.79678
2190.0000 -188.06566 -178.72979 9.33587 2.91236 -176.93308 1036.86699
2195.0000 -189.91684 -179.43788 10.47896 2.74816 -179.93059 914.11162
2200.0000 -189.36582 -179.64424 9.72158 2.75171 -179.86581 920.15599
2205.0000 -189.27766 -178.33772 10.93994 2.77771 -179.39122 932.72225
2210.0000 -188.24961 -177.26551 10.98411 2.84225 -178.21300 984.31710
2215.0000 -189.67287 -179.54694 10.12592 2.81415 -178.72604 964.06274
2220.0000 -189.40105 -181.30185 8.09919 2.74024 -180.07517 924.73080
2225.0000 -188.27261 -178.41961 9.85300 2.73235 -180.21935 909.97348
2230.0000 -189.48897 -180.39255 9.09642 2.75421 -179.82023 910.75138
2235.0000 -189.04020 -179.33339 9.70681 2.74217 -180.03997 893.26011
2240.0000 -188.35070 -179.25666 9.09404 2.77842 -179.37823 916.93648
2245.0000 -189.17969 -178.89907 10.28062 2.75895 -179.73372 883.22470
2250.0000 -187.64289 -177.98098 9.66191 2.80391 -178.91291 943.10878
FREEZING PROCESS: loop number 10 T-loop= 933.00000000000000
main_MD> interactions number 10 at Temperature= 933.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.74245 -0.53612 -2.26079
force_rgl> df(natom) -2.13289 -0.80417 2.95320
2255.0000 -187.73131 -177.69761 10.03370 2.89081 -177.32656 996.24696
2260.0000 -188.03580 -177.86879 10.16701 2.79075 -179.15320 943.12502
2265.0000 -188.03955 -178.93181 9.10774 2.83559 -178.33457 983.58557
2270.0000 -189.31006 -180.09729 9.21277 2.73752 -180.12494 899.49199
2275.0000 -190.73783 -181.09821 9.63962 2.73565 -180.15905 912.07135
2280.0000 -188.86014 -179.48271 9.37743 2.70244 -180.76526 864.26666
2285.0000 -188.03468 -178.86349 9.17119 2.82010 -178.61741 945.28545
2290.0000 -189.48198 -180.46884 9.01314 2.73084 -180.24687 904.84303
2295.0000 -188.70183 -179.31853 9.38330 2.77640 -179.41511 946.33816
2300.0000 -189.73933 -178.17918 11.56015 2.81021 -178.79795 962.60128
2305.0000 -190.03389 -179.81722 10.21667 2.82921 -178.45101 953.12723
2310.0000 -189.11251 -179.60742 9.50509 2.74271 -180.03022 902.19036
2315.0000 -190.82176 -181.69697 9.12479 2.67510 -181.26444 873.61329
2320.0000 -191.41256 -182.18932 9.22323 2.61836 -182.30022 855.42712
2325.0000 -191.62114 -183.61087 8.01027 2.55183 -183.51472 798.39306
2330.0000 -189.67554 -181.55365 8.12189 2.60460 -182.55148 828.17196
2335.0000 -188.20113 -178.76753 9.43360 2.71486 -180.53861 899.83885
2340.0000 -187.55330 -178.49325 9.06004 2.79566 -179.06344 922.56448
2345.0000 -189.22065 -179.68578 9.53488 2.80951 -178.81060 940.63547
2350.0000 -189.42556 -180.57366 8.85190 2.71969 -180.45031 908.44046
2355.0000 -190.47892 -181.62643 8.85249 2.64923 -181.73668 832.24892
2360.0000 -188.75563 -179.33822 9.41740 2.68525 -181.07919 887.23775
2365.0000 -189.47494 -179.20887 10.26606 2.78430 -179.27089 915.42509
2370.0000 -189.57427 -180.12354 9.45073 2.77236 -179.48880 947.49058
2375.0000 -189.28793 -180.69036 8.59757 2.68129 -181.15137 880.77183
2380.0000 -190.02205 -181.98753 8.03453 2.69627 -180.87790 851.24404
2385.0000 -190.42019 -181.03242 9.38778 2.64925 -181.73629 836.97319
2390.0000 -190.12256 -179.45917 10.66339 2.77654 -179.41263 954.32620
2395.0000 -190.67673 -182.26715 8.40958 2.73847 -180.10758 921.86140
2400.0000 -190.47963 -181.01294 9.46669 2.67212 -181.31880 864.34347
2405.0000 -189.90571 -178.16773 11.73798 2.75122 -179.87479 904.76199
2410.0000 -187.62116 -178.26447 9.35669 2.89157 -177.31254 1029.85993
2415.0000 -189.10281 -178.56803 10.53478 2.84409 -178.17933 1000.39102
2420.0000 -186.66259 -177.09974 9.56285 2.86957 -177.71429 1012.31591
2425.0000 -187.63600 -178.55563 9.08037 2.88840 -177.37056 971.92547
2430.0000 -189.73460 -180.26825 9.46635 2.74538 -179.98136 899.20812
2435.0000 -190.00297 -181.42436 8.57861 2.70479 -180.72248 866.04886
2440.0000 -189.03442 -180.20987 8.82455 2.71309 -180.57086 901.02694
2445.0000 -188.21092 -177.87114 10.33978 2.80181 -178.95122 967.74499
2450.0000 -188.32148 -178.97487 9.34661 2.80295 -178.93043 950.89294
2455.0000 -190.45877 -181.07410 9.38467 2.78544 -179.25010 949.39347
2460.0000 -188.93228 -179.21955 9.71273 2.78179 -179.31664 936.07653
2465.0000 -189.09853 -181.27017 7.82836 2.77268 -179.48312 946.19788
2470.0000 -190.67953 -181.06319 9.61635 2.70701 -180.68184 888.21973
2475.0000 -188.79531 -180.44266 8.35265 2.77244 -179.48738 955.90946
2480.0000 -189.27508 -179.71953 9.55555 2.77938 -179.36064 936.91303
2485.0000 -187.95158 -178.68343 9.26815 2.80443 -178.90349 949.24021
2490.0000 -188.63906 -179.15778 9.48128 2.80019 -178.98087 940.45678
2495.0000 -187.77666 -177.89741 9.87925 2.81227 -178.76037 947.08050
2500.0000 -187.73071 -177.81012 9.92059 2.85744 -177.93572 986.50191
FREEZING PROCESS: loop number 11 T-loop= 908.00000000000000
main_MD> interactions number 11 at Temperature= 908.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01786 0.00289 3.79678
force_rgl> df(natom) -6.02425 0.22953 -3.05852
2505.0000 -188.53865 -180.22995 8.30870 2.75888 -179.73496 905.03661
2510.0000 -188.55411 -178.46710 10.08701 2.76779 -179.57224 926.49972
2515.0000 -189.48453 -180.13743 9.34709 2.75562 -179.79446 948.37728
2520.0000 -188.88044 -178.93846 9.94198 2.73393 -180.19047 911.23319
2525.0000 -188.52023 -178.87119 9.64904 2.78189 -179.31488 912.11520
2530.0000 -190.93759 -181.43642 9.50117 2.72422 -180.36763 894.89437
2535.0000 -189.41923 -181.63850 7.78073 2.68689 -181.04914 884.68432
2540.0000 -188.90529 -179.37537 9.52992 2.74194 -180.04419 906.23709
2545.0000 -188.13608 -178.39553 9.74055 2.79802 -179.02043 941.50279
2550.0000 -188.44100 -179.06689 9.37411 2.87055 -177.69638 986.89574
2555.0000 -192.46168 -182.69702 9.76466 2.64004 -181.90439 859.71276
2560.0000 -187.54257 -179.12824 8.41433 2.69618 -180.87952 887.78699
2565.0000 -191.23682 -182.47375 8.76307 2.66837 -181.38723 880.87635
2570.0000 -190.84564 -182.69281 8.15283 2.62450 -182.18817 841.30093
2575.0000 -188.49467 -179.37302 9.12165 2.64685 -181.78008 851.20170
2580.0000 -189.66126 -180.66547 8.99579 2.71776 -180.48561 889.71029
2585.0000 -188.92619 -180.11785 8.80834 2.73071 -180.24916 895.00452
2590.0000 -189.71030 -179.54711 10.16319 2.78474 -179.26285 941.99448
2595.0000 -190.28894 -180.43207 9.85687 2.77041 -179.52453 905.76754
2600.0000 -190.09488 -181.98064 8.11424 2.70222 -180.76923 852.39255
2605.0000 -189.96753 -180.67054 9.29698 2.70588 -180.70257 860.29213
2610.0000 -189.43445 -178.59011 10.84434 2.72760 -180.30603 901.27668
2615.0000 -189.36305 -180.77094 8.59211 2.79080 -179.15229 958.20442
2620.0000 -189.77279 -179.21442 10.55836 2.73987 -180.08199 914.04546
2625.0000 -188.45359 -179.75654 8.69705 2.79681 -179.04255 911.83521
2630.0000 -188.66737 -178.76115 9.90622 2.77950 -179.35849 936.34562
2635.0000 -187.81193 -179.30803 8.50390 2.79527 -179.07069 973.63791
2640.0000 -187.94300 -178.29439 9.64861 2.82060 -178.60830 958.44958
2645.0000 -187.12452 -176.29454 10.82998 2.87001 -177.70614 948.54358
2650.0000 -184.87424 -175.33240 9.54185 2.99655 -175.39608 1024.43454
2655.0000 -186.85779 -175.09026 11.76753 2.97534 -175.78327 1052.18342
2660.0000 -187.40344 -175.63098 11.77246 2.97406 -175.80667 1037.86105
2665.0000 -188.49876 -180.38809 8.11067 2.86275 -177.83876 970.83357
2670.0000 -189.88294 -179.58241 10.30053 2.71120 -180.60542 887.04471
2675.0000 -186.90900 -178.28134 8.62765 2.82352 -178.55483 955.02150
2680.0000 -187.21275 -178.22578 8.98697 2.79348 -179.10336 943.52133
2685.0000 -188.95915 -180.46508 8.49407 2.75528 -179.80059 915.82099
2690.0000 -188.92011 -179.57623 9.34388 2.77067 -179.51967 921.02117
2695.0000 -189.75894 -180.87864 8.88030 2.68912 -181.00843 871.80381
2700.0000 -188.96613 -180.55741 8.40871 2.68875 -181.01526 842.33723
2705.0000 -189.83214 -178.85255 10.97959 2.66613 -181.42808 850.48837
2710.0000 -186.77256 -177.83393 8.93863 2.82046 -178.61084 959.22000
2715.0000 -187.49105 -178.26837 9.22268 2.86890 -177.72657 985.93744
2720.0000 -185.52772 -176.24476 9.28296 2.90252 -177.11275 1023.86129
2725.0000 -188.67021 -180.34198 8.32823 2.79854 -179.01088 922.83543
2730.0000 -189.73539 -180.09351 9.64188 2.65377 -181.65387 847.22119
2735.0000 -189.93787 -180.78773 9.15015 2.67984 -181.17792 879.76877
2740.0000 -190.79366 -181.00709 9.78657 2.73527 -180.16596 918.80881
2745.0000 -189.16210 -180.15544 9.00666 2.75010 -179.89522 908.30165
2750.0000 -189.03930 -181.07116 7.96814 2.68566 -181.07165 875.85616
FREEZING PROCESS: loop number 12 T-loop= 883.00000000000000
main_MD> interactions number 12 at Temperature= 883.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48144 1.08622 0.87911
force_rgl> df(natom) -2.68848 1.47627 -0.85756
2755.0000 -190.01384 -181.95487 8.05897 2.68133 -181.15072 849.79665
2760.0000 -189.68921 -181.52454 8.16468 2.66124 -181.51742 857.79997
2765.0000 -189.27389 -180.56008 8.71381 2.64205 -181.86784 836.00091
2770.0000 -189.18537 -178.97690 10.20847 2.75776 -179.75539 928.38297
2775.0000 -189.94537 -181.52362 8.42175 2.69870 -180.83352 866.75136
2780.0000 -190.67296 -182.61210 8.06086 2.61897 -182.28905 847.45194
2785.0000 -190.59685 -181.78312 8.81373 2.61421 -182.37602 859.92072
2790.0000 -189.42811 -180.69472 8.73340 2.66716 -181.40937 888.65950
2795.0000 -189.09476 -181.21467 7.88009 2.66222 -181.49962 851.74001
2800.0000 -190.52825 -181.45485 9.07341 2.70230 -180.76791 885.02055
2805.0000 -190.23817 -181.41409 8.82408 2.63612 -181.97601 851.71205
2810.0000 -189.49207 -180.03332 9.45876 2.69760 -180.85363 871.63952
2815.0000 -189.49540 -179.36660 10.12881 2.74125 -180.05686 903.55345
2820.0000 -189.55791 -180.95715 8.60076 2.67521 -181.26236 877.17020
2825.0000 -189.30420 -181.90698 7.39722 2.67024 -181.35313 850.35968
2830.0000 -188.76097 -180.69252 8.06845 2.65251 -181.67677 861.60808
2835.0000 -187.50066 -178.16208 9.33858 2.73081 -180.24736 913.05689
2840.0000 -188.53027 -178.21461 10.31566 2.85594 -177.96310 986.96165
2845.0000 -188.85450 -181.43244 7.42206 2.75077 -179.88307 918.27681
2850.0000 -192.05564 -183.77173 8.28392 2.59113 -182.79730 805.00738
2855.0000 -190.39808 -182.51381 7.88426 2.59359 -182.75245 788.71098
2860.0000 -191.77132 -183.31791 8.45341 2.63613 -181.97577 855.47692
2865.0000 -190.79189 -181.96365 8.82823 2.58601 -182.89077 804.36533
2870.0000 -192.21033 -183.10055 9.10978 2.60331 -182.57500 815.54612
2875.0000 -190.67750 -182.54893 8.12857 2.61810 -182.30507 830.56240
2880.0000 -191.04009 -183.11178 7.92831 2.62639 -182.15364 800.71871
2885.0000 -190.39996 -181.50766 8.89230 2.59355 -182.75316 793.35997
2890.0000 -190.09451 -181.09182 9.00270 2.65541 -181.62382 871.19100
2895.0000 -191.05427 -181.93872 9.11555 2.66329 -181.47993 869.33724
2900.0000 -189.96976 -180.90498 9.06478 2.66624 -181.42615 870.66866
2905.0000 -189.02684 -178.71177 10.31508 2.72039 -180.43756 895.98079
2910.0000 -188.94143 -180.88136 8.06007 2.72228 -180.40318 902.16714
2915.0000 -188.01309 -178.23150 9.78159 2.78268 -179.30046 927.19742
2920.0000 -187.67389 -177.66175 10.01214 2.86200 -177.85247 942.63925
2925.0000 -190.20657 -182.21687 7.98969 2.74926 -179.91050 905.83983
2930.0000 -190.28354 -182.98115 7.30238 2.59411 -182.74294 803.20215
2935.0000 -190.66621 -181.36749 9.29873 2.59671 -182.69556 802.17292
2940.0000 -191.42286 -181.74857 9.67429 2.65880 -181.56200 834.51691
2945.0000 -189.15603 -180.85472 8.30131 2.64771 -181.76435 840.96094
2950.0000 -190.38904 -181.59487 8.79416 2.65960 -181.54746 841.82487
2955.0000 -190.90526 -182.45176 8.45350 2.63076 -182.07384 828.90772
2960.0000 -189.61113 -179.73356 9.87757 2.67465 -181.27270 883.43962
2965.0000 -188.81093 -179.89417 8.91676 2.76039 -179.70733 910.18978
2970.0000 -188.43989 -179.72102 8.71887 2.73976 -180.08408 934.29621
2975.0000 -189.69298 -181.42346 8.26952 2.73626 -180.14798 895.68164
2980.0000 -191.19802 -182.55690 8.64112 2.66282 -181.48854 861.58070
2985.0000 -188.85349 -180.47778 8.37571 2.66379 -181.47086 873.41992
2990.0000 -190.77796 -181.20963 9.56832 2.67543 -181.25842 838.31540
2995.0000 -190.45752 -180.83979 9.61773 2.66875 -181.38027 841.56015
3000.0000 -190.77941 -181.29888 9.48053 2.68668 -181.05300 890.28266
FREEZING PROCESS: loop number 13 T-loop= 858.00000000000000
main_MD> interactions number 13 at Temperature= 858.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.59314 -1.27902 0.08557
force_rgl> df(natom) 1.91794 1.10817 1.42143
3005.0000 -189.24168 -180.96124 8.28044 2.67088 -181.34150 829.25790
3010.0000 -190.90711 -182.01706 8.89005 2.63000 -182.08778 819.20233
3015.0000 -188.77189 -181.63586 7.13602 2.61150 -182.42556 826.33740
3020.0000 -190.26608 -181.83554 8.43055 2.60243 -182.59101 800.95639
3025.0000 -187.47895 -178.37312 9.10583 2.71405 -180.55342 892.36938
3030.0000 -189.93812 -180.88210 9.05602 2.79153 -179.13882 901.78833
3035.0000 -190.32201 -181.75490 8.56711 2.68098 -181.15705 858.78233
3040.0000 -189.57909 -180.89158 8.68752 2.68606 -181.06436 886.45650
3045.0000 -188.72946 -181.50172 7.22774 2.66021 -181.53615 863.76918
3050.0000 -190.19498 -181.55736 8.63762 2.64308 -181.84891 817.89140
3055.0000 -187.67254 -180.71605 6.95649 2.72726 -180.31212 875.34969
3060.0000 -189.52683 -181.28192 8.24491 2.68418 -181.09865 833.60701
3065.0000 -189.85969 -181.95813 7.90156 2.63264 -182.03955 828.69854
3070.0000 -189.95155 -182.28138 7.67017 2.62795 -182.12522 843.96350
3075.0000 -191.49094 -183.31276 8.17818 2.56032 -183.35980 774.32422
3080.0000 -191.94774 -183.55738 8.39036 2.58549 -182.90025 811.45102
3085.0000 -190.36207 -182.07930 8.28277 2.63215 -182.04842 845.71010
3090.0000 -190.69409 -181.77546 8.91863 2.66542 -181.44119 854.41994
3095.0000 -189.94640 -182.27646 7.66994 2.60315 -182.57791 815.29947
3100.0000 -189.06057 -180.62031 8.44026 2.62833 -182.11816 840.91415
3105.0000 -189.18661 -179.47993 9.70668 2.72199 -180.40836 899.71142
3110.0000 -189.10591 -180.44726 8.65865 2.71598 -180.51814 897.18863
3115.0000 -191.28107 -181.08291 10.19816 2.69333 -180.93156 884.77252
3120.0000 -190.83896 -183.15157 7.68739 2.62017 -182.26724 829.11371
3125.0000 -191.72702 -182.58632 9.14070 2.58327 -182.94091 817.53351
3130.0000 -190.38634 -180.16172 10.22462 2.65736 -181.58831 870.76920
3135.0000 -190.67901 -182.10361 8.57540 2.66851 -181.38474 860.87290
3140.0000 -190.26772 -182.75583 7.51189 2.59755 -182.68010 817.68644
3145.0000 -188.88047 -181.58092 7.29956 2.69101 -180.97397 889.23518
3150.0000 -191.77685 -183.40847 8.36838 2.63042 -182.08007 824.71303
3155.0000 -190.08524 -181.85259 8.23265 2.64557 -181.80357 858.83214
3160.0000 -189.36463 -179.40638 9.95825 2.72850 -180.28964 893.79569
3165.0000 -189.61857 -181.15000 8.46857 2.68182 -181.14175 863.74870
3170.0000 -190.99676 -182.90141 8.09535 2.62972 -182.09286 836.06911
3175.0000 -191.29602 -183.18676 8.10926 2.59758 -182.67950 815.38653
3180.0000 -191.70647 -183.90956 7.79691 2.55489 -183.45885 774.52425
3185.0000 -191.94576 -183.33527 8.61049 2.58501 -182.90914 820.64953
3190.0000 -190.13053 -183.21414 6.91639 2.52733 -183.96210 769.24518
3195.0000 -190.33507 -180.36264 9.97242 2.64281 -181.85396 845.70387
3200.0000 -190.42137 -180.65039 9.77098 2.76610 -179.60313 919.43084
3205.0000 -189.79765 -183.25249 6.54516 2.64915 -181.73810 855.78398
3210.0000 -189.57855 -181.96247 7.61608 2.62323 -182.21127 811.37136
3215.0000 -190.92821 -181.48252 9.44569 2.63106 -182.06843 829.51353
3220.0000 -190.68516 -181.55932 9.12584 2.67728 -181.22460 864.57140
3225.0000 -191.53687 -183.11649 8.42038 2.62184 -182.23671 826.04181
3230.0000 -190.07806 -182.89640 7.18166 2.55965 -183.37196 799.41999
3235.0000 -191.83457 -184.36188 7.47270 2.59077 -182.80388 810.11741
3240.0000 -191.77107 -184.03281 7.73826 2.51569 -184.17459 776.28140
3245.0000 -191.07971 -182.70578 8.37393 2.54166 -183.70052 794.46603
3250.0000 -192.22342 -185.18312 7.04031 2.56002 -183.36533 790.63196
FREEZING PROCESS: loop number 14 T-loop= 833.00000000000000
main_MD> interactions number 14 at Temperature= 833.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43633 0.96426 -5.37252
force_rgl> df(natom) 2.69347 -3.25277 -0.93568
3255.0000 -191.81117 -184.39849 7.41267 2.48414 -184.75054 734.97833
3260.0000 -192.48699 -184.05455 8.43244 2.52601 -183.98623 772.38281
3265.0000 -190.93598 -183.38448 7.55150 2.55680 -183.42398 755.97214
3270.0000 -189.98560 -181.84904 8.13656 2.58395 -182.92846 818.54382
3275.0000 -190.30755 -180.98976 9.31779 2.70836 -180.65726 905.15241
3280.0000 -190.46149 -181.64011 8.82138 2.65091 -181.70593 843.58973
3285.0000 -190.68331 -181.84595 8.83736 2.60162 -182.60589 805.69024
3290.0000 -190.02287 -181.64496 8.37791 2.62630 -182.15533 850.95976
3295.0000 -191.24065 -183.05876 8.18190 2.60406 -182.56121 811.29382
3300.0000 -190.37440 -182.33381 8.04059 2.58213 -182.96156 796.33779
3305.0000 -189.21114 -180.49317 8.71797 2.66257 -181.49323 871.43569
3310.0000 -188.50423 -181.01329 7.49094 2.72780 -180.30234 915.62917
3315.0000 -187.84213 -178.86547 8.97666 2.74641 -179.96269 891.31650
3320.0000 -189.48399 -180.21527 9.26871 2.75518 -179.80243 894.73476
3325.0000 -191.22746 -182.50029 8.72717 2.63458 -182.00416 864.32409
3330.0000 -192.10853 -184.80111 7.30743 2.53655 -183.79381 775.88152
3335.0000 -192.79684 -183.81506 8.98178 2.54320 -183.67238 780.46562
3340.0000 -191.99189 -184.53706 7.45483 2.51242 -184.23420 776.73655
3345.0000 -190.24648 -180.39642 9.85006 2.58156 -182.97206 830.61055
3350.0000 -189.43026 -179.89842 9.53183 2.73720 -180.13080 919.45666
3355.0000 -189.02853 -179.97190 9.05663 2.73721 -180.13058 886.40110
3360.0000 -188.80876 -180.56346 8.24529 2.67990 -181.17673 872.76895
3365.0000 -188.60493 -181.40875 7.19618 2.71007 -180.62600 880.33333
3370.0000 -190.74802 -181.04337 9.70465 2.67987 -181.17725 867.00728
3375.0000 -190.46727 -181.08809 9.37917 2.72492 -180.35491 897.02791
3380.0000 -189.36532 -181.06729 8.29803 2.66679 -181.41606 878.19815
3385.0000 -189.39012 -183.14987 6.24025 2.63402 -182.01427 830.30952
3390.0000 -190.41557 -181.37859 9.03698 2.60752 -182.49804 791.71141
3395.0000 -190.42971 -180.58084 9.84888 2.63139 -182.06239 829.41893
3400.0000 -190.64135 -181.52382 9.11753 2.73336 -180.20091 900.70169
3405.0000 -190.36084 -182.37298 7.98786 2.60496 -182.54486 847.49891
3410.0000 -189.99289 -182.46516 7.52774 2.65272 -181.67294 866.17344
3415.0000 -191.31760 -184.17291 7.14469 2.58682 -182.87611 824.59458
3420.0000 -191.01950 -182.64241 8.37709 2.59802 -182.67160 820.11265
3425.0000 -191.43035 -182.60280 8.82755 2.59256 -182.77120 829.04035
3430.0000 -191.04276 -182.31720 8.72556 2.63032 -182.08186 851.04796
3435.0000 -191.11035 -183.10681 8.00355 2.59573 -182.71328 802.21821
3440.0000 -191.35911 -183.06002 8.29910 2.56177 -183.33324 812.05180
3445.0000 -190.94496 -182.68694 8.25802 2.58887 -182.83858 814.31372
3450.0000 -190.91410 -181.20544 9.70866 2.62075 -182.25667 828.59144
3455.0000 -190.66999 -182.26619 8.40380 2.64295 -181.85140 826.25028
3460.0000 -189.18185 -181.67170 7.51015 2.65155 -181.69434 835.89338
3465.0000 -189.86890 -182.07375 7.79515 2.65490 -181.63315 852.92165
3470.0000 -188.52151 -180.34706 8.17445 2.69543 -180.89324 899.38867
3475.0000 -190.35427 -180.76156 9.59272 2.68364 -181.10854 881.27234
3480.0000 -188.39066 -179.81630 8.57436 2.76773 -179.57332 940.38477
3485.0000 -189.58413 -180.03859 9.54554 2.70142 -180.78397 861.97293
3490.0000 -187.55027 -178.69279 8.85748 2.81088 -178.78565 938.99314
3495.0000 -189.16543 -180.25856 8.90687 2.75792 -179.75250 909.42189
3500.0000 -190.05979 -181.93649 8.12330 2.68969 -180.99802 901.66803
FREEZING PROCESS: loop number 15 T-loop= 808.00000000000000
main_MD> interactions number 15 at Temperature= 808.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70357 -1.95853 -1.20159
force_rgl> df(natom) -3.43399 -2.14333 -2.55662
3505.0000 -190.94376 -183.14612 7.79764 2.62471 -182.18437 807.79260
3510.0000 -190.55455 -184.16762 6.38693 2.53543 -183.81425 776.62099
3515.0000 -191.02073 -182.67585 8.34488 2.55934 -183.37775 790.73977
3520.0000 -189.75715 -181.92776 7.82939 2.62327 -182.21065 841.32548
3525.0000 -188.36780 -180.72421 7.64359 2.63542 -181.98872 833.16320
3530.0000 -189.00472 -180.92160 8.08312 2.70876 -180.64990 864.13264
3535.0000 -190.45762 -183.48701 6.97061 2.64093 -181.88820 839.39656
3540.0000 -191.15831 -183.00109 8.15722 2.53920 -183.74532 757.64318
3545.0000 -191.31384 -182.93797 8.37587 2.60174 -182.60367 819.84353
3550.0000 -191.46497 -182.70091 8.76406 2.62078 -182.25606 838.97823
3555.0000 -191.28352 -182.96745 8.31607 2.59959 -182.64291 833.13520
3560.0000 -190.90606 -181.88628 9.01978 2.60945 -182.46297 823.75838
3565.0000 -190.43964 -182.15276 8.28688 2.64175 -181.87323 807.36783
3570.0000 -190.44543 -182.26894 8.17649 2.59467 -182.73268 825.15643
3575.0000 -190.20792 -181.64587 8.56205 2.64767 -181.76513 880.04086
3580.0000 -190.74149 -182.99107 7.75042 2.61186 -182.41881 832.98994
3585.0000 -192.26361 -183.91209 8.35153 2.51546 -184.17870 779.67767
3590.0000 -191.14916 -183.01498 8.13418 2.59139 -182.79252 807.61742
3595.0000 -189.98240 -180.70736 9.27503 2.62985 -182.09053 831.23250
3600.0000 -192.01435 -183.54765 8.46670 2.62428 -182.19209 861.90546
3605.0000 -191.97875 -182.91473 9.06402 2.54482 -183.64272 794.59102
3610.0000 -191.05763 -183.23194 7.82569 2.59272 -182.76840 827.42779
3615.0000 -193.87912 -186.38113 7.49800 2.48943 -184.65398 745.97597
3620.0000 -194.10566 -186.91664 7.18903 2.38859 -186.49482 683.08855
3625.0000 -191.52170 -183.71511 7.80660 2.48112 -184.80555 748.72222
3630.0000 -190.26167 -181.55521 8.70646 2.59135 -182.79335 826.42920
3635.0000 -191.36782 -182.55818 8.80964 2.66282 -181.48853 876.35998
3640.0000 -190.77587 -183.11453 7.66134 2.54750 -183.59383 774.20904
3645.0000 -191.57303 -184.09660 7.47643 2.52589 -183.98832 778.91447
3650.0000 -192.00366 -183.43014 8.57353 2.59010 -182.81609 820.30894
3655.0000 -192.03107 -184.96285 7.06822 2.52481 -184.00812 777.21072
3660.0000 -191.81455 -185.29064 6.52391 2.44154 -185.52811 700.92522
3665.0000 -192.85367 -183.56851 9.28516 2.48195 -184.79054 745.51619
3670.0000 -192.93985 -183.79914 9.14071 2.56566 -183.26231 795.45814
3675.0000 -190.61067 -181.64760 8.96308 2.56054 -183.35576 791.79890
3680.0000 -191.15118 -183.67979 7.47139 2.61931 -182.28288 807.55314
3685.0000 -192.96831 -184.72269 8.24563 2.51998 -184.09622 772.13493
3690.0000 -189.94831 -181.83480 8.11351 2.56065 -183.35374 799.64385
3695.0000 -189.28455 -181.05847 8.22608 2.69894 -180.82922 862.95601
3700.0000 -190.19785 -180.89966 9.29820 2.64468 -181.81971 855.67615
3705.0000 -190.77846 -182.02065 8.75781 2.66619 -181.42698 890.65202
3710.0000 -191.27984 -181.64779 9.63205 2.63158 -182.05883 839.50886
3715.0000 -190.47849 -183.23635 7.24214 2.68329 -181.11483 859.14212
3720.0000 -192.02551 -183.06511 8.96040 2.54860 -183.57370 802.50962
3725.0000 -191.23191 -182.49843 8.73348 2.56823 -183.21532 788.31595
3730.0000 -190.95661 -182.71207 8.24454 2.62118 -182.24883 821.35364
3735.0000 -191.73409 -183.74346 7.99063 2.58432 -182.92160 798.20618
3740.0000 -190.72968 -182.06934 8.66034 2.59719 -182.68668 838.30580
3745.0000 -191.30138 -183.12538 8.17599 2.59535 -182.72027 807.42739
3750.0000 -191.16254 -182.83939 8.32315 2.59797 -182.67245 807.20578
FREEZING PROCESS: loop number 16 T-loop= 783.00000000000000
main_MD> interactions number 16 at Temperature= 783.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.38229 -3.17799 -0.00117
force_rgl> df(natom) -0.96814 -2.15332 -0.97517
3755.0000 -191.22877 -182.77044 8.45833 2.60021 -182.63163 810.10443
3760.0000 -190.50507 -182.32120 8.18388 2.61144 -182.42661 815.45632
3765.0000 -191.67407 -184.54293 7.13114 2.56642 -183.24840 797.57708
3770.0000 -193.14728 -185.61838 7.52890 2.45514 -185.27983 705.86790
3775.0000 -191.36758 -183.71537 7.65221 2.47929 -184.83896 719.52056
3780.0000 -190.14158 -182.73084 7.41074 2.51493 -184.18835 770.56671
3785.0000 -191.57461 -183.45700 8.11761 2.57605 -183.07256 800.01225
3790.0000 -191.68772 -184.53268 7.15504 2.52422 -184.01876 765.71628
3795.0000 -191.73177 -183.38439 8.34738 2.52757 -183.95765 777.81064
3800.0000 -193.20396 -185.35084 7.85312 2.50169 -184.43014 742.93175
3805.0000 -191.44703 -182.46918 8.97786 2.50689 -184.33523 766.05694
3810.0000 -192.03490 -182.92677 9.10813 2.59206 -182.78040 854.26142
3815.0000 -191.08964 -182.30828 8.78136 2.59704 -182.68949 821.36970
3820.0000 -190.26910 -181.78400 8.48511 2.61037 -182.44610 809.90507
3825.0000 -191.30598 -182.41213 8.89385 2.62965 -182.09420 838.60844
3830.0000 -189.21358 -181.62973 7.58385 2.56558 -183.26376 783.49921
3835.0000 -189.65514 -181.55519 8.09995 2.62168 -182.23962 806.63879
3840.0000 -190.93042 -182.95502 7.97540 2.61148 -182.42580 810.03355
3845.0000 -190.59004 -182.67094 7.91910 2.57258 -183.13597 788.38040
3850.0000 -190.09371 -181.92795 8.16576 2.56483 -183.27745 798.77931
3855.0000 -190.14580 -181.32911 8.81668 2.59427 -182.74008 805.38735
3860.0000 -191.71871 -184.37904 7.33967 2.61720 -182.32142 849.92764
3865.0000 -192.06935 -184.13538 7.93397 2.52587 -183.98876 757.84894
3870.0000 -193.51717 -186.32862 7.18855 2.38913 -186.48499 704.80024
3875.0000 -192.87243 -185.57752 7.29491 2.45310 -185.31715 732.98383
3880.0000 -191.07577 -182.85096 8.22481 2.53237 -183.87006 767.98591
3885.0000 -191.19082 -182.96726 8.22357 2.59616 -182.70546 801.75646
3890.0000 -191.25882 -183.72787 7.53095 2.55368 -183.48103 784.03306
3895.0000 -189.47816 -181.65842 7.81974 2.61674 -182.32976 827.92941
3900.0000 -191.85379 -185.27426 6.57953 2.56322 -183.30682 767.20475
3905.0000 -192.30736 -185.12317 7.18419 2.46620 -185.07793 728.96510
3910.0000 -192.37364 -184.48685 7.88679 2.47004 -185.00790 750.01837
3915.0000 -191.05982 -182.96784 8.09198 2.53207 -183.87549 771.34558
3920.0000 -191.51592 -182.65016 8.86576 2.59378 -182.74901 815.69095
3925.0000 -191.38556 -184.79427 6.59128 2.52053 -184.08616 763.04054
3930.0000 -191.31291 -183.61472 7.69818 2.48824 -184.67561 730.79549
3935.0000 -191.64133 -183.13010 8.51123 2.59664 -182.69675 817.35284
3940.0000 -191.39286 -184.82482 6.56803 2.51109 -184.25844 743.90024
3945.0000 -192.10224 -183.65567 8.44657 2.52763 -183.95664 762.60509
3950.0000 -191.77566 -183.39470 8.38096 2.55484 -183.45992 794.91869
3955.0000 -192.56151 -185.46949 7.09202 2.46359 -185.12569 730.88986
3960.0000 -192.85984 -185.37488 7.48497 2.40920 -186.11859 710.77177
3965.0000 -192.33527 -184.19942 8.13585 2.49649 -184.52506 748.77790
3970.0000 -189.81746 -182.96323 6.85423 2.53131 -183.88946 785.80470
3975.0000 -191.37205 -183.33038 8.04166 2.57027 -183.17824 782.47458
3980.0000 -192.71528 -183.89261 8.82267 2.55457 -183.46479 789.44624
3985.0000 -191.69140 -184.27340 7.41800 2.50693 -184.33443 778.31836
3990.0000 -190.45014 -183.79258 6.65757 2.53608 -183.80236 805.23396
3995.0000 -190.72987 -183.70896 7.02091 2.54790 -183.58646 772.70581
4000.0000 -190.62478 -182.28932 8.33547 2.60645 -182.51759 818.66196
FREEZING PROCESS: loop number 17 T-loop= 758.00000000000000
main_MD> interactions number 17 at Temperature= 758.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.89824 -2.95008 -1.46171
force_rgl> df(natom) 0.81286 0.78710 -2.57719
4005.0000 -191.18694 -183.81609 7.37084 2.54992 -183.54960 776.07354
4010.0000 -192.01390 -184.62503 7.38887 2.48653 -184.70684 755.65690
4015.0000 -191.78630 -184.51962 7.26668 2.46472 -185.10507 742.52612
4020.0000 -191.48052 -184.34865 7.13187 2.48387 -184.75543 731.37839
4025.0000 -191.68667 -183.81419 7.87248 2.50770 -184.32049 780.05541
4030.0000 -193.17073 -185.38308 7.78765 2.49464 -184.55879 765.50267
4035.0000 -191.55419 -182.95387 8.60032 2.51388 -184.20766 766.57895
4040.0000 -191.37993 -182.44429 8.93564 2.62455 -182.18729 833.01583
4045.0000 -192.49864 -184.58283 7.91580 2.55136 -183.52339 799.78904
4050.0000 -191.74692 -183.46160 8.28532 2.51192 -184.24332 776.60531
4055.0000 -192.65190 -185.73434 6.91757 2.51076 -184.26451 777.63946
4060.0000 -192.56576 -184.90455 7.66121 2.41188 -186.06973 682.48705
4065.0000 -193.01317 -184.97716 8.03601 2.47060 -184.99771 736.42751
4070.0000 -190.64024 -183.53420 7.10604 2.52143 -184.06968 770.17497
4075.0000 -191.98118 -184.52950 7.45169 2.51583 -184.17197 776.55860
4080.0000 -191.81078 -184.90049 6.91029 2.51158 -184.24961 759.67459
4085.0000 -190.67633 -181.46282 9.21351 2.56634 -183.24997 792.64779
4090.0000 -190.51945 -182.81872 7.70073 2.55907 -183.38270 772.51142
4095.0000 -190.84287 -182.98417 7.85870 2.56251 -183.31989 786.86955
4100.0000 -189.41105 -181.93568 7.47537 2.59924 -182.64925 829.75679
4105.0000 -190.66202 -181.76344 8.89858 2.68521 -181.07987 873.63050
4110.0000 -191.34728 -182.18568 9.16160 2.60731 -182.50194 813.21498
4115.0000 -190.59846 -182.30219 8.29628 2.61866 -182.29475 819.51039
4120.0000 -192.03209 -183.75660 8.27549 2.59265 -182.76965 834.20486
4125.0000 -192.40506 -185.31711 7.08795 2.53423 -183.83612 780.88085
4130.0000 -192.84066 -186.05214 6.78852 2.39792 -186.32450 684.69671
4135.0000 -192.61934 -184.28323 8.33611 2.45637 -185.25755 739.00994
4140.0000 -191.86528 -183.67186 8.19342 2.50900 -184.29673 754.16796
4145.0000 -191.78176 -183.32392 8.45784 2.53445 -183.83198 787.31443
4150.0000 -191.99764 -184.56227 7.43537 2.54768 -183.59054 774.62565
4155.0000 -192.88955 -185.36457 7.52498 2.45442 -185.29313 711.56628
4160.0000 -192.45943 -184.39776 8.06167 2.45890 -185.21125 737.14899
4165.0000 -192.27549 -185.03703 7.23846 2.47965 -184.83242 753.49093
4170.0000 -193.00342 -185.80709 7.19633 2.45225 -185.33260 728.50210
4175.0000 -192.01308 -184.02163 7.99146 2.47776 -184.86706 750.09200
4180.0000 -192.19920 -184.60349 7.59572 2.51036 -184.27177 760.46242
4185.0000 -192.34688 -184.34101 8.00586 2.49461 -184.55946 766.03263
4190.0000 -192.04590 -184.86393 7.18196 2.49086 -184.62782 763.59387
4195.0000 -194.32678 -188.28748 6.03930 2.38986 -186.47159 697.71903
4200.0000 -191.25465 -183.98479 7.26986 2.41954 -185.92979 702.62002
4205.0000 -191.98398 -185.02310 6.96088 2.47914 -184.84170 755.50355
4210.0000 -192.72297 -186.60182 6.12115 2.47610 -184.89732 735.01832
4215.0000 -193.61471 -186.46972 7.14499 2.36140 -186.99121 632.75407
4220.0000 -191.45813 -184.29843 7.15970 2.50117 -184.43963 758.55422
4225.0000 -192.64386 -185.72218 6.92168 2.49774 -184.50229 743.06154
4230.0000 -191.09233 -183.29159 7.80073 2.51706 -184.14962 779.17573
4235.0000 -191.84484 -184.43633 7.40851 2.51369 -184.21105 749.98270
4240.0000 -191.80917 -184.39527 7.41390 2.51207 -184.24062 747.30391
4245.0000 -190.09509 -183.30308 6.79200 2.50777 -184.31915 753.87121
4250.0000 -192.29285 -183.91729 8.37556 2.49855 -184.48748 747.68515
FREEZING PROCESS: loop number 18 T-loop= 733.00000000000000
main_MD> interactions number 18 at Temperature= 733.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67333 -2.21437 -0.76594
force_rgl> df(natom) -2.44567 1.37021 -2.15376
4255.0000 -190.87943 -183.07949 7.79994 2.55710 -183.41862 771.54355
4260.0000 -191.41070 -184.55581 6.85489 2.53533 -183.81604 753.10450
4265.0000 -191.84246 -184.24942 7.59304 2.42550 -185.82093 679.96716
4270.0000 -192.21657 -184.66318 7.55339 2.52942 -183.92386 765.19031
4275.0000 -191.69260 -184.14299 7.54961 2.51711 -184.14862 768.28519
4280.0000 -192.04826 -184.64890 7.39936 2.52138 -184.07066 769.44049
4285.0000 -191.52118 -185.12187 6.39930 2.50382 -184.39119 735.94305
4290.0000 -193.69975 -186.76629 6.93346 2.45623 -185.26010 698.00598
4295.0000 -192.61684 -184.82222 7.79462 2.41288 -186.05134 667.17930
4300.0000 -195.00733 -188.00540 7.00193 2.38179 -186.61891 670.68139
4305.0000 -192.05063 -185.95287 6.09776 2.39524 -186.37345 712.73857
4310.0000 -192.35872 -184.82719 7.53153 2.43705 -185.61011 702.05961
4315.0000 -191.24549 -185.08090 6.16459 2.49358 -184.57820 737.91111
4320.0000 -192.32370 -185.64240 6.68130 2.43144 -185.71252 691.60754
4325.0000 -191.13890 -182.72920 8.40970 2.49851 -184.48814 748.24875
4330.0000 -192.03057 -184.16324 7.86733 2.52723 -183.96382 760.75170
4335.0000 -192.97284 -184.27512 8.69772 2.50908 -184.29528 759.45272
4340.0000 -192.76738 -185.57129 7.19609 2.45386 -185.30335 740.66447
4345.0000 -194.15330 -187.93065 6.22265 2.32977 -187.56861 643.49558
4350.0000 -193.09260 -185.43000 7.66260 2.39678 -186.34538 705.65713
4355.0000 -192.47203 -184.46379 8.00824 2.46760 -185.05250 738.52394
4360.0000 -192.43571 -185.60263 6.83308 2.48880 -184.66552 764.19724
4365.0000 -190.66408 -183.70202 6.96206 2.47707 -184.87961 736.60239
4370.0000 -192.28485 -184.83131 7.45354 2.51863 -184.12084 761.23949
4375.0000 -191.87364 -185.63938 6.23425 2.44452 -185.47380 711.73147
4380.0000 -193.03279 -185.58124 7.45156 2.42329 -185.86136 696.82472
4385.0000 -193.77615 -185.24689 8.52926 2.42736 -185.78712 715.00079
4390.0000 -192.55350 -185.27794 7.27556 2.45887 -185.21191 749.92759
4395.0000 -191.35984 -183.53959 7.82025 2.51510 -184.18529 753.88666
4400.0000 -191.66840 -183.46069 8.20770 2.58733 -182.86676 811.99646
4405.0000 -192.60176 -184.18956 8.41220 2.54552 -183.63002 796.84663
4410.0000 -192.10004 -184.51615 7.58389 2.50056 -184.45074 733.73907
4415.0000 -192.49452 -185.28092 7.21360 2.45034 -185.36758 711.00003
4420.0000 -190.73303 -183.38448 7.34855 2.46327 -185.13150 707.32947
4425.0000 -192.75341 -185.85893 6.89448 2.51170 -184.24739 753.89686
4430.0000 -191.38149 -183.74419 7.63731 2.51107 -184.25890 763.64902
4435.0000 -192.95317 -184.17626 8.77692 2.51341 -184.21624 752.97099
4440.0000 -193.25197 -185.48975 7.76222 2.46691 -185.06505 732.45024
4445.0000 -193.50396 -184.81772 8.68624 2.47557 -184.90703 749.43694
4450.0000 -191.45090 -184.75301 6.69789 2.49755 -184.50563 744.28283
4455.0000 -192.60589 -185.23655 7.36934 2.45188 -185.33952 715.40090
4460.0000 -192.88786 -185.78300 7.10486 2.41296 -186.04987 688.51742
4465.0000 -193.31438 -185.74912 7.56527 2.44494 -185.46605 703.98123
4470.0000 -191.78927 -185.05916 6.73011 2.42977 -185.74302 692.65833
4475.0000 -193.03278 -186.00374 7.02904 2.40944 -186.11414 664.47584
4480.0000 -191.99443 -185.64363 6.35080 2.39546 -186.36933 680.36983
4485.0000 -191.78756 -184.37438 7.41318 2.50895 -184.29755 759.77528
4490.0000 -190.74998 -182.71113 8.03885 2.51525 -184.18264 765.63666
4495.0000 -191.24928 -184.66484 6.58444 2.51821 -184.12859 749.58190
4500.0000 -191.76305 -183.18120 8.58185 2.51426 -184.20062 740.36259
FREEZING PROCESS: loop number 19 T-loop= 708.00000000000000
main_MD> interactions number 19 at Temperature= 708.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00002 0.38820 0.24783
force_rgl> df(natom) 0.71406 -1.06724 -0.91057
4505.0000 -191.09129 -184.78452 6.30677 2.55778 -183.40617 797.26701
4510.0000 -192.92485 -184.56479 8.36006 2.46954 -185.01710 730.51559
4515.0000 -192.33303 -185.49035 6.84268 2.46965 -185.01499 723.65230
4520.0000 -192.87963 -185.06957 7.81007 2.47367 -184.94169 732.77574
4525.0000 -192.98453 -186.33467 6.64986 2.42889 -185.75919 677.61683
4530.0000 -191.98176 -184.79344 7.18833 2.45014 -185.37118 702.38722
4535.0000 -192.20002 -185.54742 6.65260 2.47715 -184.87813 711.22672
4540.0000 -192.54610 -185.49697 7.04914 2.43658 -185.61879 710.76143
4545.0000 -191.80808 -185.18097 6.62711 2.45766 -185.23400 723.09593
4550.0000 -193.41874 -186.57054 6.84820 2.38955 -186.47722 686.65589
4555.0000 -192.89430 -186.29289 6.60141 2.39123 -186.44660 676.11673
4560.0000 -193.30024 -185.32116 7.97908 2.40343 -186.22385 700.40610
4565.0000 -192.79427 -185.55674 7.23753 2.41498 -186.01314 713.91609
4570.0000 -193.38471 -187.22277 6.16195 2.41977 -185.92561 711.46132
4575.0000 -192.37743 -186.29863 6.07880 2.37168 -186.80361 655.87723
4580.0000 -193.75648 -187.73313 6.02335 2.37611 -186.72270 692.04696
4585.0000 -192.58538 -186.72588 5.85950 2.34266 -187.33335 652.85640
4590.0000 -192.85535 -185.09305 7.76230 2.41265 -186.05568 699.61651
4595.0000 -193.37076 -185.16786 8.20290 2.44465 -185.47136 735.25970
4600.0000 -194.41520 -185.06590 9.34930 2.46613 -185.07923 760.63647
4605.0000 -193.57924 -186.41778 7.16146 2.39503 -186.37735 710.12911
4610.0000 -193.35083 -186.75304 6.59779 2.37987 -186.65401 671.16630
4615.0000 -192.14367 -185.32711 6.81655 2.42150 -185.89408 702.04190
4620.0000 -192.29560 -184.58499 7.71061 2.43637 -185.62264 712.20079
4625.0000 -192.25482 -185.86284 6.39198 2.48699 -184.69854 747.04944
4630.0000 -194.11677 -186.88231 7.23446 2.39109 -186.44917 678.33202
4635.0000 -194.16946 -187.29014 6.87932 2.37218 -186.79440 658.61105
4640.0000 -193.49646 -186.10486 7.39160 2.37810 -186.68627 667.39446
4645.0000 -192.49489 -185.90623 6.58865 2.42680 -185.79722 687.67120
4650.0000 -192.29433 -185.05736 7.23698 2.42503 -185.82962 686.33223
4655.0000 -190.40986 -183.41682 6.99303 2.48715 -184.69554 747.64598
4660.0000 -192.29320 -184.80438 7.48882 2.51548 -184.17834 751.36376
4665.0000 -192.37247 -186.60698 5.76549 2.41551 -186.00345 684.22194
4670.0000 -193.60536 -186.35539 7.24997 2.39365 -186.40246 683.06622
4675.0000 -192.55415 -185.40851 7.14564 2.42084 -185.90606 711.86656
4680.0000 -193.01189 -185.73305 7.27885 2.45366 -185.30697 722.63011
4685.0000 -192.20217 -184.92348 7.27869 2.42540 -185.82278 714.47580
4690.0000 -191.89045 -185.06612 6.82433 2.48628 -184.71151 735.23728
4695.0000 -191.99756 -185.28029 6.71727 2.47352 -184.94439 723.36710
4700.0000 -193.75114 -187.44841 6.30274 2.37439 -186.75405 672.88585
4705.0000 -193.67853 -186.89108 6.78745 2.35618 -187.08654 675.47791
4710.0000 -192.79202 -186.13556 6.65645 2.37320 -186.77582 682.80852
4715.0000 -193.37536 -186.14478 7.23058 2.41626 -185.98965 721.35248
4720.0000 -192.88725 -185.70190 7.18534 2.43110 -185.71881 713.24467
4725.0000 -194.51913 -187.73870 6.78043 2.42999 -185.73905 703.46370
4730.0000 -193.49717 -186.91881 6.57836 2.33875 -187.40477 644.37896
4735.0000 -194.33190 -187.69891 6.63299 2.33810 -187.41647 645.46052
4740.0000 -193.70819 -186.54133 7.16687 2.37403 -186.76068 695.01843
4745.0000 -192.34135 -185.70663 6.63472 2.44278 -185.50559 716.21313
4750.0000 -192.52431 -184.53850 7.98581 2.46648 -185.07289 726.54580
FREEZING PROCESS: loop number 20 T-loop= 683.00000000000000
main_MD> interactions number 20 at Temperature= 683.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87799 -2.05335 0.30817
force_rgl> df(natom) 0.29933 -1.19602 -2.91044
4755.0000 -193.24038 -187.04698 6.19341 2.44803 -185.40964 726.37873
4760.0000 -193.73256 -186.80119 6.93137 2.37488 -186.74511 676.10086
4765.0000 -194.80552 -187.65294 7.15257 2.33813 -187.41604 637.13824
4770.0000 -194.45834 -187.99956 6.45879 2.32900 -187.58266 644.65705
4775.0000 -194.87444 -187.65139 7.22306 2.29506 -188.20219 635.38451
4780.0000 -194.66432 -189.26073 5.40359 2.26948 -188.66918 613.32733
4785.0000 -193.80264 -188.01995 5.78269 2.26653 -188.72316 592.79288
4790.0000 -194.69542 -188.65794 6.03747 2.28811 -188.32920 616.77585
4795.0000 -194.22178 -187.59920 6.62257 2.29656 -188.17495 635.26508
4800.0000 -194.17692 -187.01310 7.16382 2.34710 -187.25216 668.18737
4805.0000 -192.93731 -186.69437 6.24295 2.38878 -186.49128 689.34348
4810.0000 -192.57080 -185.62147 6.94933 2.42304 -185.86596 712.57852
4815.0000 -192.74558 -184.91479 7.83079 2.44508 -185.46361 707.27542
4820.0000 -193.35822 -186.16620 7.19202 2.42217 -185.88172 680.65350
4825.0000 -192.10882 -185.46617 6.64265 2.41880 -185.94337 705.21473
4830.0000 -191.76536 -183.89576 7.86960 2.50248 -184.41573 764.84188
4835.0000 -192.52695 -186.32119 6.20576 2.48306 -184.77015 758.58779
4840.0000 -193.23048 -186.21692 7.01356 2.41224 -186.06300 680.75748
4845.0000 -194.54049 -187.76718 6.77331 2.32585 -187.64017 642.27870
4850.0000 -195.39454 -187.86189 7.53265 2.30727 -187.97940 643.87233
4855.0000 -195.94036 -188.41967 7.52069 2.30236 -188.06903 643.25952
4860.0000 -193.94248 -187.72476 6.21772 2.28337 -188.41573 632.70739
4865.0000 -194.30360 -187.42737 6.87623 2.32626 -187.63278 657.57084
4870.0000 -195.04595 -189.04310 6.00285 2.30439 -188.03196 618.74222
4875.0000 -192.57433 -185.24048 7.33385 2.36836 -186.86413 648.75952
4880.0000 -192.35436 -186.40948 5.94488 2.41118 -186.08251 703.30397
4885.0000 -192.40743 -185.89614 6.51128 2.42692 -185.79501 717.13900
4890.0000 -193.77527 -186.93482 6.84045 2.37294 -186.78058 662.74254
4895.0000 -191.45190 -183.48109 7.97080 2.45799 -185.22780 713.48912
4900.0000 -191.56868 -183.64377 7.92491 2.55128 -183.52477 765.56472
4905.0000 -194.31002 -186.86542 7.44459 2.45959 -185.19864 732.74946
4910.0000 -193.96884 -186.32550 7.64333 2.37739 -186.69927 680.95136
4915.0000 -193.55307 -185.56871 7.98436 2.40620 -186.17329 696.86090
4920.0000 -193.51159 -186.55252 6.95907 2.41177 -186.07162 708.95075
4925.0000 -192.04897 -185.75363 6.29534 2.42840 -185.76807 707.68203
4930.0000 -193.21462 -186.23273 6.98188 2.42379 -185.85214 697.52130
4935.0000 -192.92449 -185.03788 7.88661 2.45582 -185.26741 736.94593
4940.0000 -194.84913 -189.26043 5.58870 2.35064 -187.18759 661.01213
4945.0000 -194.73092 -187.87749 6.85344 2.28469 -188.39167 616.76914
4950.0000 -195.30841 -187.85156 7.45685 2.33809 -187.41672 627.50353
4955.0000 -192.54936 -186.19611 6.35325 2.37436 -186.75465 657.81304
4960.0000 -191.92747 -185.35565 6.57183 2.42262 -185.87364 695.78684
4965.0000 -193.40777 -186.15674 7.25103 2.45049 -185.36479 715.59044
4970.0000 -192.79743 -185.45861 7.33882 2.41797 -185.95848 716.16464
4975.0000 -192.46279 -185.73120 6.73159 2.40552 -186.18577 694.31889
4980.0000 -193.21005 -186.80229 6.40776 2.42827 -185.77036 676.51564
4985.0000 -193.20796 -186.00379 7.20418 2.38898 -186.48766 677.28423
4990.0000 -193.82869 -186.57255 7.25614 2.40012 -186.28440 698.51279
4995.0000 -191.72956 -184.90745 6.82211 2.42202 -185.88451 716.09681
5000.0000 -194.25418 -186.64082 7.61336 2.41069 -186.09131 712.46088
FREEZING PROCESS: loop number 21 T-loop= 658.00000000000000
main_MD> interactions number 21 at Temperature= 658.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02123 -1.26733 -1.04853
force_rgl> df(natom) 0.18044 4.17310 6.37511
5005.0000 -193.35882 -187.15376 6.20506 2.38821 -186.50177 687.17274
5010.0000 -192.72965 -186.97791 5.75173 2.35404 -187.12558 650.14281
5015.0000 -193.40972 -186.69915 6.71057 2.37165 -186.80401 668.85275
5020.0000 -193.16723 -186.66421 6.50302 2.37699 -186.70662 664.28251
5025.0000 -194.73018 -187.94200 6.78818 2.35134 -187.17477 627.13673
5030.0000 -194.05056 -187.31748 6.73309 2.33958 -187.38960 647.56039
5035.0000 -194.08557 -188.22236 5.86322 2.32447 -187.66543 642.47389
5040.0000 -194.34732 -187.54447 6.80285 2.29815 -188.14594 633.18086
5045.0000 -194.47766 -188.06762 6.41003 2.30906 -187.94674 633.16297
5050.0000 -193.44682 -186.79531 6.65151 2.34240 -187.33811 675.15267
5055.0000 -194.65070 -188.10718 6.54352 2.32986 -187.56704 642.78358
5060.0000 -195.77341 -189.59458 6.17883 2.25184 -188.99124 592.24368
5065.0000 -193.93076 -187.48314 6.44762 2.26756 -188.70439 608.99614
5070.0000 -194.42350 -187.77586 6.64764 2.34291 -187.32867 652.87877
5075.0000 -194.55517 -188.04767 6.50750 2.34160 -187.35260 646.32587
5080.0000 -194.27810 -187.33487 6.94323 2.30765 -187.97250 629.65661
5085.0000 -193.71085 -186.90308 6.80777 2.35261 -187.15159 669.21001
5090.0000 -193.05348 -186.34023 6.71325 2.35621 -187.08587 642.91471
5095.0000 -192.67221 -186.98326 5.68894 2.33292 -187.51110 655.19896
5100.0000 -194.79848 -188.08793 6.71055 2.36665 -186.89543 698.83095
5105.0000 -194.36681 -188.19627 6.17054 2.30332 -188.05141 636.76555
5110.0000 -191.78425 -185.20114 6.58311 2.36945 -186.84421 689.17805
5115.0000 -193.29172 -186.98442 6.30729 2.42170 -185.89034 703.20032
5120.0000 -193.48439 -185.39517 8.08922 2.38082 -186.63674 674.19498
5125.0000 -191.77329 -183.86462 7.90867 2.49054 -184.63359 747.77952
5130.0000 -192.01820 -185.29197 6.72624 2.51153 -184.25045 759.20295
5135.0000 -192.91025 -186.39078 6.51947 2.42637 -185.80514 688.91582
5140.0000 -194.25069 -187.87466 6.37603 2.35268 -187.15033 668.74902
5145.0000 -194.18279 -187.22835 6.95444 2.33863 -187.40683 656.07492
5150.0000 -194.71662 -187.51280 7.20382 2.35393 -187.12755 670.95967
5155.0000 -194.08449 -187.94312 6.14137 2.29284 -188.24286 622.81004
5160.0000 -193.95414 -186.73620 7.21794 2.36111 -186.99652 668.75963
5165.0000 -193.20759 -186.08961 7.11798 2.41676 -185.98055 709.13755
5170.0000 -193.72709 -186.53807 7.18902 2.38247 -186.60648 679.05530
5175.0000 -192.23880 -185.55430 6.68450 2.40365 -186.21999 702.77160
5180.0000 -193.39119 -185.79815 7.59304 2.43575 -185.63398 707.07287
5185.0000 -194.41593 -187.30980 7.10613 2.40374 -186.21830 693.12408
5190.0000 -193.15897 -186.74618 6.41279 2.36131 -186.99293 652.51333
5195.0000 -194.70182 -187.72694 6.97489 2.34524 -187.28619 656.12841
5200.0000 -194.84812 -189.44711 5.40101 2.26971 -188.66514 594.25938
5205.0000 -194.85257 -188.93951 5.91306 2.23877 -189.22992 582.15688
5210.0000 -193.32128 -186.95538 6.36590 2.31909 -187.76352 659.70208
5215.0000 -193.49439 -187.23932 6.25507 2.36407 -186.94238 656.39241
5220.0000 -193.85507 -187.31301 6.54207 2.33853 -187.40877 631.08498
5225.0000 -195.94825 -189.93405 6.01420 2.24854 -189.05159 602.86552
5230.0000 -194.37630 -188.96492 5.41138 2.22161 -189.54316 592.09178
5235.0000 -193.57476 -187.72686 5.84791 2.29954 -188.12051 650.00082
5240.0000 -192.44023 -185.35779 7.08244 2.40074 -186.27310 694.50835
5245.0000 -193.18206 -185.73245 7.44961 2.43859 -185.58213 713.28763
5250.0000 -193.18003 -186.55647 6.62356 2.41013 -186.10163 697.69832
FREEZING PROCESS: loop number 22 T-loop= 633.00000000000000
main_MD> interactions number 22 at Temperature= 633.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.14228 -1.47421 0.26007
force_rgl> df(natom) -0.14975 0.35178 -1.94142
5255.0000 -194.88951 -188.57915 6.31036 2.32396 -187.67463 653.33683
5260.0000 -195.44047 -188.68572 6.75475 2.27916 -188.49253 609.56816
5265.0000 -194.58255 -188.91223 5.67032 2.27495 -188.56939 623.38492
5270.0000 -194.43102 -188.95756 5.47347 2.24558 -189.10555 593.21534
5275.0000 -194.41193 -187.52041 6.89152 2.26461 -188.75821 624.04023
5280.0000 -195.56519 -188.93209 6.63310 2.28519 -188.38248 630.92902
5285.0000 -194.56486 -188.61801 5.94685 2.29078 -188.28041 623.62296
5290.0000 -193.51548 -186.95478 6.56070 2.32058 -187.73636 629.29239
5295.0000 -194.95381 -188.18502 6.76879 2.35124 -187.17660 663.38806
5300.0000 -194.34666 -187.33358 7.01308 2.33225 -187.52334 649.30513
5305.0000 -194.46141 -188.07606 6.38535 2.31858 -187.77291 639.23221
5310.0000 -194.59412 -187.62554 6.96858 2.31881 -187.76872 641.24121
5315.0000 -193.68270 -186.29192 7.39078 2.33447 -187.48289 633.16338
5320.0000 -193.32965 -186.28211 7.04753 2.37442 -186.75353 654.75921
5325.0000 -194.60281 -188.73324 5.86958 2.34346 -187.31864 629.67176
5330.0000 -194.15588 -188.58751 5.56837 2.27254 -188.61332 604.42304
5335.0000 -194.24567 -187.89172 6.35395 2.31168 -187.89886 629.63299
5340.0000 -193.84896 -187.74013 6.10882 2.29407 -188.22031 618.40499
5345.0000 -193.21906 -186.70545 6.51361 2.34145 -187.35532 667.01803
5350.0000 -194.31372 -186.98376 7.32996 2.33745 -187.42844 655.86048
5355.0000 -194.06441 -187.36652 6.69789 2.33220 -187.52418 637.74909
5360.0000 -194.73874 -188.93673 5.80201 2.29899 -188.13048 619.91735
5365.0000 -195.05070 -188.94954 6.10116 2.24745 -189.07149 595.18619
5370.0000 -193.90521 -186.96131 6.94390 2.30168 -188.08148 640.43451
5375.0000 -195.13920 -188.93540 6.20381 2.30265 -188.06378 624.73042
5380.0000 -194.96331 -188.06047 6.90284 2.29069 -188.28213 618.78350
5385.0000 -194.76014 -188.52365 6.23649 2.28993 -188.29586 622.90832
5390.0000 -195.72313 -190.11651 5.60661 2.26148 -188.81522 622.09194
5395.0000 -194.36548 -187.13974 7.22574 2.26236 -188.79919 627.28747
5400.0000 -194.33337 -188.14053 6.19284 2.30996 -187.93025 650.64915
5405.0000 -195.53443 -188.14270 7.39174 2.28048 -188.46842 622.53238
5410.0000 -195.56528 -189.64229 5.92299 2.27110 -188.63963 613.12103
5415.0000 -194.58668 -188.42306 6.16361 2.23121 -189.36785 591.16691
5420.0000 -193.64616 -186.44312 7.20303 2.34036 -187.37521 658.00484
5425.0000 -194.11906 -187.05889 7.06016 2.33892 -187.40166 603.65033
5430.0000 -193.99513 -187.67553 6.31960 2.34021 -187.37811 631.98972
5435.0000 -194.73808 -187.98059 6.75750 2.29247 -188.24954 600.55094
5440.0000 -194.42900 -187.34456 7.08444 2.32450 -187.66490 621.69691
5445.0000 -193.90345 -186.86047 7.04298 2.34030 -187.37638 651.69444
5450.0000 -193.65897 -186.79492 6.86405 2.38639 -186.53496 664.75477
5455.0000 -194.18324 -187.65812 6.52513 2.32825 -187.59636 646.19216
5460.0000 -194.65141 -188.20481 6.44660 2.27114 -188.63896 614.32098
5465.0000 -194.89255 -187.93530 6.95725 2.28291 -188.42413 624.68232
5470.0000 -193.82924 -187.78977 6.03947 2.31627 -187.81507 656.11779
5475.0000 -193.05875 -187.45606 5.60268 2.33426 -187.48660 655.00604
5480.0000 -194.61877 -188.66156 5.95721 2.32068 -187.73454 625.83068
5485.0000 -193.68934 -186.95434 6.73501 2.32444 -187.66587 639.44422
5490.0000 -194.09164 -187.15379 6.93785 2.37081 -186.81945 679.13955
5495.0000 -194.37805 -188.14702 6.23103 2.32260 -187.69946 641.54385
5500.0000 -193.40633 -187.72428 5.68205 2.32767 -187.60694 657.25140
FREEZING PROCESS: loop number 23 T-loop= 608.00000000000000
main_MD> interactions number 23 at Temperature= 608.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46836 -0.44360 0.68473
force_rgl> df(natom) 0.58780 -1.00843 1.86451
5505.0000 -194.87754 -187.78710 7.09044 2.34151 -187.35427 640.55462
5510.0000 -193.55087 -187.23734 6.31353 2.34343 -187.31920 639.70766
5515.0000 -194.72574 -188.37575 6.35000 2.34778 -187.23992 645.77924
5520.0000 -196.10162 -189.56911 6.53251 2.22427 -189.49461 581.94939
5525.0000 -195.80028 -190.37084 5.42944 2.19942 -189.94833 603.56697
5530.0000 -194.41394 -187.39337 7.02056 2.19839 -189.96703 592.12244
5535.0000 -195.67921 -188.38877 7.29044 2.31494 -187.83934 636.51662
5540.0000 -194.65291 -189.00584 5.64708 2.30644 -187.99446 625.99662
5545.0000 -194.60845 -187.65066 6.95779 2.26940 -188.67064 614.53189
5550.0000 -195.60920 -188.70070 6.90850 2.27468 -188.57441 603.71619
5555.0000 -195.08703 -189.06335 6.02369 2.25550 -188.92447 600.04018
5560.0000 -194.07999 -187.96877 6.11122 2.24429 -189.12904 608.61555
5565.0000 -194.12136 -187.57189 6.54947 2.32841 -187.59353 657.85963
5570.0000 -194.54121 -188.65299 5.88822 2.27350 -188.59585 598.74577
5575.0000 -195.33315 -188.94511 6.38804 2.29808 -188.14708 626.61050
5580.0000 -194.75290 -188.53533 6.21757 2.23965 -189.21385 611.67102
5585.0000 -195.09255 -188.99485 6.09770 2.27182 -188.62646 634.74738
5590.0000 -194.27988 -188.01341 6.26648 2.26525 -188.74655 623.10212
5595.0000 -193.57101 -188.07562 5.49540 2.29043 -188.28671 629.27359
5600.0000 -193.85981 -187.26992 6.58989 2.34571 -187.27772 645.84256
5605.0000 -194.22637 -187.51024 6.71613 2.35201 -187.16262 646.37072
5610.0000 -195.21256 -188.89108 6.32148 2.28572 -188.37279 626.35087
5615.0000 -194.58263 -188.79474 5.78789 2.26181 -188.80934 604.80707
5620.0000 -195.43010 -189.82212 5.60798 2.24170 -189.17640 592.18389
5625.0000 -196.59409 -190.18543 6.40866 2.21974 -189.57728 579.74473
5630.0000 -195.05275 -189.94446 5.10829 2.18703 -190.17438 561.68137
5635.0000 -194.36184 -188.57668 5.78516 2.27481 -188.57190 618.66556
5640.0000 -195.61594 -189.75075 5.86519 2.22931 -189.40261 573.23912
5645.0000 -194.01712 -188.28567 5.73145 2.23110 -189.36985 578.80964
5650.0000 -194.13744 -188.39561 5.74183 2.29613 -188.18269 622.64613
5655.0000 -194.97742 -188.54634 6.43108 2.28668 -188.35517 621.74318
5660.0000 -194.83063 -188.87426 5.95637 2.26601 -188.73262 610.45227
5665.0000 -195.85313 -190.58181 5.27132 2.21489 -189.66578 591.17329
5670.0000 -194.96179 -189.70216 5.25963 2.18288 -190.25025 574.19846
5675.0000 -194.45942 -189.07923 5.38019 2.22658 -189.45239 591.72497
5680.0000 -195.45946 -190.05537 5.40409 2.24580 -189.10146 595.23979
5685.0000 -194.37155 -188.31659 6.05496 2.24311 -189.15064 571.13756
5690.0000 -194.55260 -188.55379 5.99881 2.28382 -188.40752 577.87540
5695.0000 -194.58286 -188.24350 6.33937 2.28613 -188.36538 583.14507
5700.0000 -194.53582 -187.44936 7.08646 2.27141 -188.63409 606.41168
5705.0000 -194.94467 -189.23394 5.71072 2.27137 -188.63469 606.82253
5710.0000 -194.52258 -187.63233 6.89025 2.26711 -188.71245 605.43516
5715.0000 -194.26023 -188.77923 5.48101 2.29771 -188.15387 603.22810
5720.0000 -196.30780 -190.54076 5.76705 2.21084 -189.73985 568.08951
5725.0000 -196.25194 -189.80045 6.45149 2.20992 -189.75659 574.56286
5730.0000 -195.90226 -190.07254 5.82972 2.21911 -189.58887 594.69860
5735.0000 -194.08475 -188.40511 5.67964 2.24739 -189.07254 595.80630
5740.0000 -195.91416 -189.67498 6.23918 2.21852 -189.59949 580.32174
5745.0000 -195.23915 -190.36859 4.87057 2.22944 -189.40027 579.26565
5750.0000 -195.47427 -189.60179 5.87248 2.19796 -189.97483 566.85023
FREEZING PROCESS: loop number 24 T-loop= 583.00000000000000
main_MD> interactions number 24 at Temperature= 583.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94888 -1.49550 1.00043
force_rgl> df(natom) -1.21861 3.42838 2.02779
5755.0000 -195.38581 -189.87133 5.51448 2.20786 -189.79420 563.98946
5760.0000 -195.97340 -190.63112 5.34228 2.20709 -189.80822 562.23482
5765.0000 -194.56687 -189.26760 5.29927 2.19821 -189.97040 565.65335
5770.0000 -195.47264 -189.49123 5.98141 2.23469 -189.30440 596.60522
5775.0000 -195.11883 -188.89489 6.22394 2.26137 -188.81722 607.18061
5780.0000 -195.04738 -189.63064 5.41674 2.23841 -189.23647 576.88969
5785.0000 -195.33515 -189.55464 5.78051 2.21164 -189.72516 530.05878
5790.0000 -194.31882 -188.59261 5.72621 2.22848 -189.41769 552.10373
5795.0000 -194.61164 -188.37648 6.23516 2.25739 -188.88998 600.94602
5800.0000 -194.19969 -189.13514 5.06455 2.27575 -188.55470 607.72833
5805.0000 -194.88255 -189.43422 5.44834 2.22877 -189.41251 567.38680
5810.0000 -194.77469 -189.09211 5.68258 2.25114 -189.00408 603.77801
5815.0000 -195.09497 -190.27193 4.82304 2.23910 -189.22383 620.44910
5820.0000 -195.16174 -189.36980 5.79193 2.19505 -190.02798 571.92676
5825.0000 -195.57599 -188.84891 6.72708 2.20878 -189.77732 564.71008
5830.0000 -195.19219 -189.39716 5.79503 2.23594 -189.28153 599.45431
5835.0000 -194.99865 -189.64565 5.35299 2.20305 -189.88204 563.82684
5840.0000 -195.11134 -189.15844 5.95289 2.19361 -190.05424 553.30584
5845.0000 -194.84567 -188.98071 5.86496 2.26221 -188.80195 586.26644
5850.0000 -195.11721 -189.55000 5.56720 2.25672 -188.90214 586.47790
5855.0000 -195.21238 -189.22496 5.98743 2.22182 -189.53930 567.39721
5860.0000 -194.71339 -188.13079 6.58259 2.27876 -188.49982 602.69784
5865.0000 -195.13639 -188.12002 7.01638 2.31468 -187.84404 623.44977
5870.0000 -196.23648 -190.89187 5.34462 2.22079 -189.55817 578.72165
5875.0000 -196.26198 -191.07048 5.19150 2.13299 -191.16091 524.42784
5880.0000 -195.61639 -189.74903 5.86735 2.16970 -190.49082 538.11988
5885.0000 -195.45014 -189.47926 5.97089 2.22121 -189.55052 572.12034
5890.0000 -196.67726 -189.57097 7.10630 2.19814 -189.97154 575.20880
5895.0000 -195.74744 -189.97517 5.77228 2.19671 -189.99775 591.39797
5900.0000 -194.70457 -189.02991 5.67466 2.19640 -190.00340 569.27073
5905.0000 -195.63766 -190.26691 5.37075 2.24523 -189.11198 614.54076
5910.0000 -195.41010 -190.29815 5.11195 2.17379 -190.41618 545.46633
5915.0000 -195.46803 -190.36275 5.10528 2.19327 -190.06052 550.53408
5920.0000 -195.29410 -190.65306 4.64103 2.18281 -190.25144 533.75254
5925.0000 -195.48513 -189.22606 6.25908 2.17872 -190.32617 555.54744
5930.0000 -195.08549 -188.52678 6.55871 2.26365 -188.77565 617.04233
5935.0000 -194.69152 -188.23293 6.45859 2.30420 -188.03549 640.22713
5940.0000 -196.40773 -190.81731 5.59042 2.21140 -189.72962 563.12937
5945.0000 -195.86476 -189.67971 6.18505 2.17148 -190.45832 522.18932
5950.0000 -196.16388 -189.45303 6.71085 2.24416 -189.13146 589.64500
5955.0000 -195.28104 -189.01912 6.26192 2.24905 -189.04230 600.72693
5960.0000 -195.32850 -189.37686 5.95163 2.23615 -189.27771 609.33573
5965.0000 -194.81143 -188.75917 6.05225 2.21574 -189.65025 585.60150
5970.0000 -194.70361 -188.89358 5.81003 2.26364 -188.77594 594.32809
5975.0000 -194.73377 -188.52410 6.20967 2.27473 -188.57340 605.64302
5980.0000 -195.15630 -189.58968 5.56662 2.23040 -189.38273 589.37792
5985.0000 -195.33034 -189.82206 5.50828 2.22425 -189.49501 575.78144
5990.0000 -195.13757 -188.68795 6.44963 2.22321 -189.51393 590.05261
5995.0000 -195.08887 -189.12103 5.96784 2.26538 -188.74409 598.45270
6000.0000 -195.68774 -189.99755 5.69019 2.21979 -189.57635 561.82516
FREEZING PROCESS: loop number 25 T-loop= 558.00000000000000
main_MD> interactions number 25 at Temperature= 558.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31975 2.21132 -0.54480
force_rgl> df(natom) 2.41883 -0.77280 -0.36360
6005.0000 -195.88626 -191.30495 4.58131 2.12730 -191.26481 506.43183
6010.0000 -195.38605 -189.98004 5.40602 2.12692 -191.27169 490.51200
6015.0000 -195.68697 -189.71940 5.96757 2.22059 -189.56179 589.99724
6020.0000 -195.10321 -188.81360 6.28961 2.21934 -189.58454 581.83049
6025.0000 -194.88387 -188.29426 6.58961 2.28620 -188.36409 636.34453
6030.0000 -195.81415 -190.16374 5.65042 2.21805 -189.60822 584.07062
6035.0000 -195.90796 -190.11256 5.79540 2.17666 -190.36372 575.08438
6040.0000 -195.98638 -190.04366 5.94272 2.17869 -190.32665 583.34771
6045.0000 -197.43553 -191.48622 5.94931 2.12310 -191.34147 546.40418
6050.0000 -196.08250 -189.73585 6.34666 2.19385 -190.04994 577.87017
6055.0000 -196.89150 -191.44321 5.44829 2.18228 -190.26117 565.07306
6060.0000 -196.40605 -191.03811 5.36794 2.10822 -191.61310 512.40530
6065.0000 -196.88854 -191.38229 5.50625 2.12730 -191.26486 528.08404
6070.0000 -196.04236 -190.08356 5.95880 2.18571 -190.19847 584.53485
6075.0000 -194.80405 -189.02924 5.77480 2.24151 -189.17982 591.06352
6080.0000 -195.53388 -189.54099 5.99288 2.25033 -189.01884 611.48434
6085.0000 -194.77037 -189.91854 4.85183 2.20202 -189.90070 555.23210
6090.0000 -194.84617 -189.79579 5.05039 2.20586 -189.83075 537.31641
6095.0000 -194.99799 -189.34173 5.65626 2.22961 -189.39713 572.03105
6100.0000 -194.38861 -188.10539 6.28322 2.28587 -188.36997 631.26215
6105.0000 -196.03088 -190.06198 5.96890 2.26223 -188.80165 630.50254
6110.0000 -196.60486 -190.27695 6.32791 2.18413 -190.22736 576.23069
6115.0000 -197.58859 -192.38772 5.20087 2.11782 -191.43794 557.86237
6120.0000 -197.66771 -193.13210 4.53562 2.06466 -192.40841 507.14548
6125.0000 -196.91160 -192.55657 4.35503 2.03427 -192.96317 471.60384
6130.0000 -197.23177 -192.45415 4.77763 2.03715 -192.91064 462.93869
6135.0000 -196.15105 -190.83058 5.32047 2.11314 -191.52335 511.71171
6140.0000 -195.12285 -189.59205 5.53080 2.18715 -190.17217 547.86806
6145.0000 -195.34283 -189.71291 5.62992 2.23147 -189.36307 585.88477
6150.0000 -195.60440 -189.79648 5.80792 2.20328 -189.87774 551.97114
6155.0000 -196.42281 -189.93810 6.48471 2.19174 -190.08843 567.37032
6160.0000 -194.85004 -189.30054 5.54950 2.23108 -189.37018 594.31639
6165.0000 -196.16844 -190.00006 6.16838 2.20825 -189.78699 583.91034
6170.0000 -197.54188 -191.84810 5.69378 2.15272 -190.80087 545.77411
6175.0000 -196.56538 -191.01633 5.54905 2.13590 -191.10777 539.10423
6180.0000 -195.79783 -190.75175 5.04608 2.15017 -190.84734 562.67576
6185.0000 -195.74084 -190.57575 5.16510 2.16847 -190.51332 562.66382
6190.0000 -196.21903 -191.08650 5.13253 2.15268 -190.80158 549.52194
6195.0000 -196.27557 -189.48665 6.78892 2.15771 -190.70963 524.56990
6200.0000 -194.38673 -188.69159 5.69515 2.23389 -189.31899 572.60155
6205.0000 -196.59962 -190.46708 6.13254 2.21497 -189.66439 569.28419
6210.0000 -196.28708 -190.56281 5.72427 2.18055 -190.29269 545.78012
6215.0000 -195.83797 -190.72672 5.11125 2.16317 -190.60995 532.25290
6220.0000 -195.24202 -189.69080 5.55122 2.19469 -190.03455 537.76469
6225.0000 -195.92919 -190.02442 5.90478 2.21635 -189.63915 568.51988
6230.0000 -195.97705 -190.78767 5.18938 2.17820 -190.33564 546.71893
6235.0000 -194.50672 -188.92174 5.58499 2.20650 -189.81901 560.85038
6240.0000 -193.55471 -188.32153 5.23318 2.28618 -188.36447 606.68321
6245.0000 -194.66808 -189.26539 5.40269 2.27562 -188.55717 622.53254
6250.0000 -195.55448 -190.32735 5.22713 2.18019 -190.29926 544.29191
FREEZING PROCESS: loop number 26 T-loop= 533.00000000000000
main_MD> interactions number 26 at Temperature= 533.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24068 0.33616 -0.94232
force_rgl> df(natom) 5.47384 5.66073 2.04016
6255.0000 -197.24437 -192.96894 4.27543 2.11404 -191.50694 499.28905
6260.0000 -195.26243 -189.09546 6.16697 2.10894 -191.60005 474.97887
6265.0000 -195.56248 -189.72729 5.83519 2.22136 -189.54776 554.11271
6270.0000 -195.26056 -189.61391 5.64664 2.22836 -189.41992 589.55106
6275.0000 -196.09640 -190.39343 5.70296 2.17883 -190.32410 533.92617
6280.0000 -196.44128 -191.07833 5.36294 2.15069 -190.83787 527.31019
6285.0000 -196.73843 -191.13198 5.60645 2.17369 -190.41804 534.84240
6290.0000 -196.53596 -191.57591 4.96005 2.13286 -191.16337 524.57163
6295.0000 -195.47226 -189.92732 5.54494 2.15085 -190.83485 531.90218
6300.0000 -195.86965 -190.19814 5.67151 2.21850 -189.59988 573.60594
6305.0000 -195.24583 -189.76801 5.47783 2.21099 -189.73701 576.22798
6310.0000 -195.98924 -190.86488 5.12435 2.18877 -190.14260 550.65678
6315.0000 -195.91188 -190.49667 5.41521 2.17559 -190.38335 527.03608
6320.0000 -196.18800 -189.41261 6.77539 2.19816 -189.97122 567.63431
6325.0000 -195.46604 -190.50122 4.96482 2.20714 -189.80738 592.08175
6330.0000 -195.82470 -189.44722 6.37748 2.16448 -190.58601 540.14026
6335.0000 -194.78347 -188.90596 5.87751 2.21924 -189.58645 577.88741
6340.0000 -194.66274 -190.00422 4.65852 2.19999 -189.93785 564.81959
6345.0000 -196.42548 -190.93899 5.48649 2.17912 -190.31878 558.10007
6350.0000 -196.53722 -190.76649 5.77073 2.15989 -190.66997 530.75396
6355.0000 -195.78643 -190.46772 5.31872 2.13707 -191.08648 517.99389
6360.0000 -195.72668 -191.49947 4.22721 2.15236 -190.80743 521.51026
6365.0000 -196.46409 -191.38040 5.08369 2.12337 -191.33663 500.85547
6370.0000 -197.30238 -191.96312 5.33926 2.11184 -191.54716 507.44480
6375.0000 -195.96132 -189.67080 6.29053 2.16077 -190.65380 537.00838
6380.0000 -196.60670 -191.90178 4.70492 2.13370 -191.14800 514.76042
6385.0000 -195.76948 -190.57787 5.19160 2.13397 -191.14314 504.16470
6390.0000 -196.00643 -190.48363 5.52279 2.17017 -190.48227 544.12092
6395.0000 -195.63306 -190.24951 5.38354 2.18037 -190.29597 555.44679
6400.0000 -196.17730 -190.69497 5.48233 2.18260 -190.25538 547.48292
6405.0000 -195.71765 -190.36909 5.34856 2.16514 -190.57402 527.44921
6410.0000 -194.99197 -190.07409 4.91788 2.18323 -190.24385 549.22375
6415.0000 -195.61734 -190.00982 5.60752 2.21144 -189.72883 561.35742
6420.0000 -196.92450 -191.46725 5.45725 2.14483 -190.94477 523.65792
6425.0000 -196.91239 -191.53076 5.38162 2.13086 -191.19988 524.40723
6430.0000 -195.80403 -189.96288 5.84115 2.14716 -190.90235 520.66529
6435.0000 -196.18064 -190.54464 5.63600 2.16325 -190.60863 545.24227
6440.0000 -196.91518 -191.19561 5.71958 2.15014 -190.84784 542.65523
6445.0000 -196.22405 -190.68880 5.53525 2.14746 -190.89678 553.28399
6450.0000 -196.67716 -191.10216 5.57500 2.13934 -191.04503 532.30502
6455.0000 -197.45625 -191.97193 5.48432 2.10201 -191.72644 506.83695
6460.0000 -195.81588 -190.86600 4.94988 2.10938 -191.59204 516.93136
6465.0000 -195.89618 -190.11798 5.77820 2.19301 -190.06519 563.87219
6470.0000 -196.23775 -191.06667 5.17108 2.14895 -190.86953 532.24918
6475.0000 -196.88270 -192.18324 4.69946 2.10906 -191.59774 522.80363
6480.0000 -197.67424 -191.90266 5.77158 2.10699 -191.63564 523.97984
6485.0000 -195.89442 -190.22954 5.66488 2.14055 -191.02300 555.48327
6490.0000 -196.48353 -191.46154 5.02199 2.16119 -190.64620 556.83847
6495.0000 -196.71571 -191.29739 5.41832 2.14784 -190.88990 522.10009
6500.0000 -197.08502 -190.42448 6.66054 2.15932 -190.68022 550.88993
FREEZING PROCESS: loop number 27 T-loop= 508.00000000000000
main_MD> interactions number 27 at Temperature= 508.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.29076 -3.25309 -0.74498
force_rgl> df(natom) 0.39379 -1.02687 3.00665
6505.0000 -196.98290 -192.55998 4.42292 2.09312 -191.88881 514.04796
6510.0000 -197.39837 -191.60487 5.79350 2.11428 -191.50245 524.41523
6515.0000 -196.77649 -191.32732 5.44917 2.12197 -191.36206 520.58809
6520.0000 -196.90149 -191.03567 5.86582 2.10488 -191.67406 516.02517
6525.0000 -197.33749 -192.56335 4.77414 2.09197 -191.90984 517.32491
6530.0000 -196.34740 -190.56813 5.77927 2.14989 -190.85240 555.69577
6535.0000 -196.64631 -191.42995 5.21635 2.13852 -191.06006 557.96187
6540.0000 -197.51224 -193.20199 4.31025 2.06798 -192.34768 500.73500
6545.0000 -198.16329 -193.03204 5.13125 2.02828 -193.07259 464.24584
6550.0000 -197.73634 -193.27501 4.46133 2.02610 -193.11221 453.01484
6555.0000 -196.61017 -191.94068 4.66950 2.05502 -192.58439 479.72558
6560.0000 -195.69919 -190.63045 5.06874 2.12734 -191.26415 522.09757
6565.0000 -196.86487 -192.14293 4.72194 2.12392 -191.32663 524.15560
6570.0000 -196.78873 -192.27348 4.51525 2.09720 -191.81424 515.42432
6575.0000 -197.98195 -192.43106 5.55088 2.06574 -192.38863 505.89100
6580.0000 -197.78522 -192.88948 4.89574 2.05058 -192.66546 489.64691
6585.0000 -197.64130 -192.58650 5.05481 2.03762 -192.90205 482.83697
6590.0000 -196.43539 -191.19803 5.23735 2.10042 -191.75562 526.23801
6595.0000 -197.81560 -193.46833 4.34728 2.06401 -192.42024 495.96926
6600.0000 -197.85063 -192.88823 4.96240 2.03596 -192.93234 479.81855
6605.0000 -196.86514 -191.52829 5.33685 2.09209 -191.90768 529.00442
6610.0000 -196.19942 -191.21036 4.98906 2.12546 -191.29835 543.73687
6615.0000 -197.54738 -192.09931 5.44807 2.10541 -191.66444 505.72130
6620.0000 -196.58033 -191.60974 4.97059 2.08395 -192.05621 515.39974
6625.0000 -196.74251 -191.72154 5.02097 2.10449 -191.68132 503.09728
6630.0000 -196.69320 -191.00943 5.68377 2.13564 -191.11259 522.48875
6635.0000 -196.52544 -192.29335 4.23209 2.10919 -191.59538 498.55611
6640.0000 -197.04825 -192.69072 4.35753 2.07199 -192.27462 483.29509
6645.0000 -196.49415 -191.37172 5.12243 2.08896 -191.96482 493.41785
6650.0000 -195.52953 -190.20012 5.32941 2.14289 -190.98028 507.71220
6655.0000 -195.43985 -190.04754 5.39230 2.17299 -190.43075 527.04066
6660.0000 -196.19594 -190.93952 5.25642 2.16523 -190.57239 518.97400
6665.0000 -196.89617 -191.98294 4.91323 2.12519 -191.30332 489.19811
6670.0000 -197.63001 -192.10719 5.52282 2.09348 -191.88219 480.55013
6675.0000 -197.09213 -191.86211 5.23002 2.10183 -191.72987 488.18923
6680.0000 -196.51865 -191.77383 4.74482 2.12162 -191.36852 504.93360
6685.0000 -197.26304 -192.47650 4.78653 2.09899 -191.78168 486.01651
6690.0000 -196.34396 -191.60693 4.73703 2.09264 -191.89754 485.17642
6695.0000 -197.82849 -193.06504 4.76345 2.05326 -192.61642 470.31126
6700.0000 -196.30906 -190.91136 5.39770 2.10724 -191.63106 535.58581
6705.0000 -196.72428 -191.56118 5.16311 2.11725 -191.44823 523.34343
6710.0000 -197.31258 -192.21559 5.09700 2.09689 -191.82007 509.99160
6715.0000 -198.55186 -193.89792 4.65394 2.03985 -192.86129 471.05808
6720.0000 -196.52866 -191.02261 5.50605 2.09603 -191.83561 534.57829
6725.0000 -197.96327 -192.21456 5.74871 2.10016 -191.76031 542.49591
6730.0000 -196.48434 -191.31859 5.16575 2.09540 -191.84726 515.33405
6735.0000 -196.39644 -190.42863 5.96781 2.16293 -190.61441 550.84889
6740.0000 -195.93320 -190.53868 5.39453 2.17826 -190.33456 570.73560
6745.0000 -195.80783 -190.61272 5.19511 2.19469 -190.03458 562.87567
6750.0000 -196.25784 -191.38751 4.87033 2.10270 -191.71398 505.02434
FREEZING PROCESS: loop number 28 T-loop= 483.00000000000000
main_MD> interactions number 28 at Temperature= 483.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43765 2.84637 -0.02975
force_rgl> df(natom) 1.66332 0.10438 -2.76637
6755.0000 -196.03207 -191.53334 4.49873 2.12110 -191.37810 516.13809
6760.0000 -196.80401 -191.73751 5.06650 2.11689 -191.45486 503.44691
6765.0000 -197.08201 -192.43852 4.64348 2.07855 -192.15473 483.05810
6770.0000 -197.14323 -192.86717 4.27606 2.04574 -192.75384 457.29167
6775.0000 -197.65596 -193.33740 4.31856 2.02355 -193.15882 447.82869
6780.0000 -198.21254 -192.84136 5.37118 2.00980 -193.40996 447.19430
6785.0000 -196.85830 -192.09050 4.76780 2.03601 -192.93138 486.04407
6790.0000 -197.11680 -191.97094 5.14586 2.06578 -192.38788 508.78281
6795.0000 -197.21810 -191.91800 5.30010 2.09965 -191.76962 512.33351
6800.0000 -198.89717 -193.67874 5.21843 2.04328 -192.79860 502.17505
6805.0000 -198.14667 -193.28443 4.86224 1.99735 -193.63708 476.61543
6810.0000 -198.28071 -193.44052 4.84020 1.98480 -193.86624 462.23752
6815.0000 -198.38558 -193.74978 4.63580 2.00422 -193.51165 480.65635
6820.0000 -198.14550 -193.16705 4.97845 2.01260 -193.35878 486.88764
6825.0000 -197.18168 -192.16906 5.01262 2.06344 -192.43064 524.33742
6830.0000 -198.12545 -192.96261 5.16283 2.05936 -192.50511 517.13349
6835.0000 -199.11553 -193.47043 5.64510 2.03393 -192.96927 504.06234
6840.0000 -198.56957 -193.87898 4.69059 1.98837 -193.80101 476.75919
6845.0000 -198.95172 -194.01192 4.93980 1.97116 -194.11519 461.54606
6850.0000 -199.35520 -195.15219 4.20302 1.93712 -194.73678 429.06772
6855.0000 -197.28480 -192.83487 4.44994 1.98732 -193.82029 463.88067
6860.0000 -197.55066 -192.34775 5.20291 2.06196 -192.45764 522.47213
6865.0000 -197.16002 -192.70873 4.45129 2.05059 -192.66522 506.59926
6870.0000 -197.04882 -191.88898 5.15984 2.05412 -192.60070 494.82269
6875.0000 -197.54565 -192.62382 4.92183 2.06818 -192.34414 511.89874
6880.0000 -197.82199 -192.37867 5.44331 2.03909 -192.87516 489.13090
6885.0000 -198.57350 -192.79060 5.78290 2.05781 -192.53340 504.50030
6890.0000 -198.47836 -193.53631 4.94206 2.00492 -193.49887 467.52952
6895.0000 -198.18749 -193.08134 5.10615 2.01123 -193.38371 463.71709
6900.0000 -197.36737 -192.14187 5.22550 2.03926 -192.87207 484.66789
6905.0000 -198.07338 -193.04824 5.02514 2.06407 -192.41918 506.26479
6910.0000 -198.21857 -194.04119 4.17737 2.00135 -193.56406 460.63109
6915.0000 -198.84426 -193.33411 5.51015 1.99661 -193.65059 468.30897
6920.0000 -197.55764 -192.42575 5.13189 2.01063 -193.39464 492.07324
6925.0000 -198.22105 -194.10630 4.11475 2.03037 -193.03427 510.32204
6930.0000 -199.25529 -194.11197 5.14332 1.96616 -194.20647 459.71592
6935.0000 -198.30714 -193.30829 4.99885 2.00896 -193.42519 491.08976
6940.0000 -198.12952 -193.03508 5.09444 1.99744 -193.63554 469.99200
6945.0000 -197.73510 -192.88984 4.84526 2.01475 -193.31959 477.82873
6950.0000 -197.73410 -193.50567 4.22843 2.03915 -192.87402 504.67243
6955.0000 -197.61360 -192.44055 5.17305 2.02064 -193.21190 503.63325
6960.0000 -197.13275 -192.32024 4.81251 2.04466 -192.77349 512.11521
6965.0000 -198.57363 -193.06481 5.50883 2.06004 -192.49275 520.70475
6970.0000 -197.78974 -193.31803 4.47171 2.03289 -192.98836 509.95043
6975.0000 -198.49183 -193.39151 5.10032 2.01874 -193.24665 498.40328
6980.0000 -199.15832 -193.93526 5.22305 1.98094 -193.93671 465.72256
6985.0000 -198.37110 -193.30785 5.06325 2.00351 -193.52468 484.45715
6990.0000 -199.10767 -193.45028 5.65739 2.01216 -193.36680 489.96228
6995.0000 -197.62763 -192.99357 4.63406 2.02507 -193.13120 504.25866
7000.0000 -197.30595 -191.79955 5.50639 2.06843 -192.33955 542.43849
FREEZING PROCESS: loop number 29 T-loop= 458.00000000000000
main_MD> interactions number 29 at Temperature= 458.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07876 2.42548 -0.35217
force_rgl> df(natom) -0.62893 1.30346 -2.12410
7005.0000 -196.38711 -191.82076 4.56635 2.08626 -192.01407 520.77047
7010.0000 -198.18393 -193.39022 4.79371 2.03948 -192.86802 503.69332
7015.0000 -198.58950 -194.09412 4.49538 1.99676 -193.64799 477.14463
7020.0000 -199.08613 -194.97077 4.11536 1.94575 -194.57917 442.54507
7025.0000 -198.91594 -194.87564 4.04030 1.93471 -194.78065 430.71852
7030.0000 -198.24473 -193.23223 5.01250 1.95668 -194.37962 447.29411
7035.0000 -198.78495 -194.13012 4.65483 1.98457 -193.87050 470.83878
7040.0000 -198.94097 -194.68742 4.25355 1.98461 -193.86968 468.92403
7045.0000 -199.62004 -195.71856 3.90148 1.93132 -194.84256 438.34182
7050.0000 -199.47191 -194.53489 4.93702 1.92831 -194.89754 447.56343
7055.0000 -199.57948 -194.77767 4.80181 1.95105 -194.48233 472.11960
7060.0000 -199.25294 -194.46120 4.79174 1.93994 -194.68521 461.64692
7065.0000 -199.86440 -195.82204 4.04236 1.93934 -194.69617 461.27435
7070.0000 -198.70383 -193.79602 4.90781 1.93497 -194.77591 455.47860
7075.0000 -198.93319 -194.51882 4.41438 1.97165 -194.10629 483.28534
7080.0000 -198.74809 -194.48953 4.25856 1.94120 -194.66225 460.17964
7085.0000 -198.16223 -192.82051 5.34172 1.97588 -194.02918 489.24429
7090.0000 -198.85733 -193.86406 4.99327 2.01558 -193.30436 481.35519
7095.0000 -198.99924 -194.40290 4.59634 1.95545 -194.40200 468.56380
7100.0000 -199.68046 -194.88374 4.79672 1.93666 -194.74517 464.02450
7105.0000 -199.02725 -195.00532 4.02193 1.93571 -194.76249 458.71419
7110.0000 -199.48760 -195.23960 4.24800 1.89980 -195.41791 425.72637
7115.0000 -199.28730 -194.98201 4.30530 1.92525 -194.95339 447.34778
7120.0000 -200.14186 -195.82265 4.31922 1.91225 -195.19070 437.71613
7125.0000 -199.80428 -195.64582 4.15846 1.88916 -195.61224 419.69346
7130.0000 -198.73251 -194.52575 4.20676 1.91629 -195.11692 443.93543
7135.0000 -198.57721 -193.73489 4.84232 1.96151 -194.29141 473.27798
7140.0000 -199.08775 -194.64315 4.44460 1.99114 -193.75048 500.83314
7145.0000 -199.28864 -195.21775 4.07089 1.91606 -195.12119 442.38886
7150.0000 -199.33566 -194.91043 4.42523 1.91860 -195.07481 445.96004
7155.0000 -199.16858 -194.45602 4.71256 1.96351 -194.25484 478.84253
7160.0000 -199.87206 -195.01098 4.86109 1.94546 -194.58446 462.13463
7165.0000 -199.46475 -195.16704 4.29770 1.91009 -195.23015 435.17187
7170.0000 -199.45723 -194.42617 5.03106 1.93565 -194.76358 452.55205
7175.0000 -198.77055 -194.16337 4.60718 1.98752 -193.81662 494.28296
7180.0000 -198.22933 -193.36525 4.86408 1.95588 -194.39424 470.16782
7185.0000 -199.50050 -194.68432 4.81618 1.96099 -194.30090 473.37052
7190.0000 -199.91137 -194.95067 4.96071 1.93926 -194.69771 457.92826
7195.0000 -199.46637 -195.18541 4.28097 1.93716 -194.73588 458.08349
7200.0000 -199.78330 -195.37525 4.40804 1.91957 -195.05710 436.88557
7205.0000 -200.31486 -196.10482 4.21005 1.86815 -195.99572 402.13314
7210.0000 -199.29226 -194.39028 4.90198 1.91021 -195.22803 435.56172
7215.0000 -199.08886 -194.19710 4.89175 1.94748 -194.54747 467.34865
7220.0000 -199.12251 -194.03970 5.08282 1.97583 -194.03000 486.29910
7225.0000 -199.20373 -194.52976 4.67397 1.94857 -194.52774 468.44500
7230.0000 -199.86710 -195.63063 4.23648 1.93595 -194.75813 456.53635
7235.0000 -199.96240 -196.00434 3.95806 1.90099 -195.39633 430.71027
7240.0000 -200.67552 -196.38552 4.29000 1.87403 -195.88848 409.37637
7245.0000 -200.28987 -195.60912 4.68075 1.88022 -195.77546 410.29384
7250.0000 -199.70944 -195.01802 4.69142 1.89690 -195.47101 428.07417
FREEZING PROCESS: loop number 30 T-loop= 433.00000000000000
main_MD> interactions number 30 at Temperature= 433.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34395 1.66438 1.80781
force_rgl> df(natom) 1.42352 -1.58511 -0.47028
7255.0000 -199.58661 -195.51800 4.06860 1.89552 -195.49609 422.16518
7260.0000 -199.90928 -195.07626 4.83302 1.90866 -195.25633 437.38429
7265.0000 -199.47200 -194.58707 4.88494 1.92597 -194.94024 448.26592
7270.0000 -200.31214 -195.69474 4.61740 1.90533 -195.31711 429.34186
7275.0000 -199.43134 -194.55694 4.87440 1.88919 -195.61161 422.71754
7280.0000 -199.62949 -194.68708 4.94241 1.93010 -194.86484 445.59503
7285.0000 -199.52364 -194.92630 4.59733 1.94282 -194.63258 464.03629
7290.0000 -199.16349 -195.28717 3.87632 1.91720 -195.10029 447.31904
7295.0000 -198.91654 -194.95659 3.95994 1.91579 -195.12603 440.04730
7300.0000 -200.20858 -196.20651 4.00208 1.88409 -195.70479 411.34412
7305.0000 -199.84814 -195.44982 4.39832 1.89007 -195.59565 417.28794
7310.0000 -200.77756 -196.37382 4.40374 1.86673 -196.02162 404.05876
7315.0000 -200.00783 -196.01908 3.98875 1.86193 -196.10939 394.28999
7320.0000 -200.01177 -195.77333 4.23844 1.85289 -196.27431 391.55675
7325.0000 -199.69947 -195.29724 4.40223 1.88521 -195.68427 412.42932
7330.0000 -199.84924 -195.25064 4.59860 1.90071 -195.40139 431.32214
7335.0000 -199.83527 -195.72375 4.11152 1.88807 -195.63208 411.15052
7340.0000 -199.83514 -195.21640 4.61874 1.90286 -195.36208 431.63359
7345.0000 -199.15231 -194.49328 4.65903 1.92028 -195.04417 444.00332
7350.0000 -199.75986 -195.16119 4.59867 1.94975 -194.50615 465.48151
7355.0000 -199.65142 -194.89608 4.75534 1.92522 -194.95389 447.73396
7360.0000 -199.96794 -196.59449 3.37345 1.87267 -195.91326 404.00195
7365.0000 -200.04135 -195.45253 4.58882 1.85159 -196.29804 390.43760
7370.0000 -199.91907 -196.01774 3.90133 1.87582 -195.85583 407.22187
7375.0000 -199.68225 -195.12132 4.56093 1.90520 -195.31946 431.40549
7380.0000 -199.72042 -195.62080 4.09961 1.88552 -195.67864 416.93290
7385.0000 -199.58707 -195.31332 4.27375 1.88242 -195.73532 413.05182
7390.0000 -199.64748 -195.98393 3.66355 1.89981 -195.41773 427.14732
7395.0000 -199.83921 -195.66774 4.17147 1.86845 -195.99033 402.56083
7400.0000 -199.81357 -196.29678 3.51679 1.85543 -196.22804 395.14164
7405.0000 -200.19436 -196.14593 4.04843 1.86373 -196.07652 400.22212
7410.0000 -199.21679 -194.62698 4.58981 1.90677 -195.29081 432.20990
7415.0000 -199.42828 -195.61628 3.81200 1.93124 -194.84394 445.90079
7420.0000 -199.66769 -195.85440 3.81329 1.90385 -195.34406 429.27493
7425.0000 -200.10899 -195.74329 4.36570 1.88362 -195.71332 414.70700
7430.0000 -200.48864 -195.21477 5.27388 1.91029 -195.22654 442.68916
7435.0000 -199.85277 -195.02069 4.83208 1.92881 -194.88833 447.77414
7440.0000 -199.26143 -195.20809 4.05334 1.90017 -195.41128 433.59455
7445.0000 -199.47158 -194.36120 5.11038 1.94863 -194.52650 465.15937
7450.0000 -200.79455 -195.77611 5.01844 1.93349 -194.80288 454.28007
7455.0000 -200.50186 -196.27121 4.23065 1.87537 -195.86395 407.51086
7460.0000 -200.11310 -195.34380 4.76930 1.87887 -195.80007 413.09135
7465.0000 -198.52184 -194.42389 4.09795 1.93909 -194.70081 455.24338
7470.0000 -198.29828 -194.33742 3.96086 1.95013 -194.49917 464.78156
7475.0000 -198.96412 -193.34057 5.62354 1.95932 -194.33148 473.87337
7480.0000 -199.97751 -195.11705 4.86046 1.94526 -194.58814 450.61500
7485.0000 -199.74341 -195.80967 3.93374 1.88701 -195.65139 417.17675
7490.0000 -200.18185 -196.09092 4.09093 1.86508 -196.05189 400.60203
7495.0000 -199.95461 -195.41281 4.54180 1.87804 -195.81522 413.86821
7500.0000 -200.03634 -195.12633 4.91001 1.92393 -194.97755 453.09335
FREEZING PROCESS: loop number 31 T-loop= 408.00000000000000
main_MD> interactions number 31 at Temperature= 408.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57116 2.14848 -0.92953
force_rgl> df(natom) -0.61215 -0.03604 0.19815
7505.0000 -199.81268 -196.05003 3.76264 1.90018 -195.41103 428.61927
7510.0000 -199.88180 -195.47690 4.40490 1.88505 -195.68728 419.85008
7515.0000 -200.85727 -196.04989 4.80739 1.88730 -195.64625 419.32159
7520.0000 -199.30118 -195.79326 3.50792 1.86133 -196.12022 396.14280
7525.0000 -200.07277 -195.86882 4.20395 1.88328 -195.71955 414.93926
7530.0000 -200.35302 -196.11469 4.23833 1.87298 -195.90751 405.67862
7535.0000 -200.21021 -196.48464 3.72557 1.86310 -196.08792 398.09526
7540.0000 -200.61496 -196.46433 4.15062 1.84720 -196.37825 385.82070
7545.0000 -200.00484 -196.15193 3.85291 1.84443 -196.42873 380.96379
7550.0000 -199.76829 -195.20917 4.55912 1.88917 -195.61213 419.00042
7555.0000 -199.75856 -195.67779 4.08077 1.89875 -195.43715 427.96077
7560.0000 -199.60862 -195.67278 3.93584 1.90005 -195.41351 425.95150
7565.0000 -200.56576 -196.16516 4.40060 1.86658 -196.02452 399.13586
7570.0000 -199.63275 -196.07804 3.55471 1.87665 -195.84057 408.77384
7575.0000 -199.49450 -195.12786 4.36664 1.89486 -195.50812 419.94483
7580.0000 -200.01454 -195.97020 4.04433 1.91438 -195.15181 437.55813
7585.0000 -199.99249 -195.47507 4.51743 1.88764 -195.63993 419.70557
7590.0000 -199.15940 -195.14724 4.01216 1.92010 -195.04732 439.69595
7595.0000 -199.04590 -194.99282 4.05308 1.94349 -194.62047 456.27357
7600.0000 -200.16759 -196.23948 3.92810 1.89398 -195.52426 423.46019
7605.0000 -199.94373 -195.94024 4.00348 1.85561 -196.22476 395.14094
7610.0000 -200.25169 -196.49375 3.75794 1.85949 -196.15394 394.08951
7615.0000 -199.16021 -195.61769 3.54251 1.88238 -195.73598 411.78665
7620.0000 -199.77957 -195.29728 4.48230 1.87233 -195.91946 407.57999
7625.0000 -199.43676 -195.02135 4.41540 1.93353 -194.80219 452.21210
7630.0000 -199.75701 -196.21622 3.54079 1.88176 -195.74733 416.05963
7635.0000 -199.97641 -196.14174 3.83467 1.89128 -195.57348 422.57874
7640.0000 -200.75230 -196.30953 4.44277 1.85852 -196.17151 393.57186
7645.0000 -199.97985 -195.89415 4.08570 1.87362 -195.89592 407.29957
7650.0000 -200.26532 -196.04796 4.21735 1.88442 -195.69872 415.38133
7655.0000 -200.54292 -196.27460 4.26832 1.85715 -196.19661 396.74034
7660.0000 -200.27214 -196.07163 4.20051 1.86234 -196.10190 396.64105
7665.0000 -199.95352 -195.42800 4.52552 1.89753 -195.45945 426.89814
7670.0000 -199.63090 -195.06056 4.57034 1.89048 -195.58821 420.42574
7675.0000 -200.16966 -195.95081 4.21885 1.91157 -195.20314 439.60600
7680.0000 -200.25485 -197.00171 3.25314 1.83426 -196.61453 373.88865
7685.0000 -200.22457 -196.40904 3.81553 1.84922 -196.34130 385.80046
7690.0000 -199.91545 -195.32004 4.59540 1.88112 -195.75891 410.16842
7695.0000 -199.87399 -196.19904 3.67495 1.86317 -196.08670 396.50137
7700.0000 -199.90914 -196.13713 3.77201 1.86792 -195.99989 398.28097
7705.0000 -200.32152 -195.95396 4.36756 1.87416 -195.88600 404.80649
7710.0000 -200.44004 -196.67685 3.76319 1.86401 -196.07139 400.13890
7715.0000 -200.33504 -195.85303 4.48201 1.83565 -196.58914 374.97049
7720.0000 -200.67714 -196.57698 4.10016 1.86748 -196.00805 399.89882
7725.0000 -200.47228 -196.54129 3.93099 1.85904 -196.16209 397.25326
7730.0000 -199.51092 -196.08393 3.42699 1.86991 -195.96361 404.88612
7735.0000 -199.88299 -195.25931 4.62367 1.90889 -195.25201 435.33146
7740.0000 -198.85682 -194.36835 4.48848 1.92297 -194.99503 438.46617
7745.0000 -199.50746 -195.24266 4.26481 1.90967 -195.23787 416.41694
7750.0000 -199.50113 -195.48470 4.01643 1.90203 -195.37722 432.49064
FREEZING PROCESS: loop number 32 T-loop= 383.00000000000000
main_MD> interactions number 32 at Temperature= 383.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86017 -1.03568 -1.71596
force_rgl> df(natom) -3.10367 0.95475 -4.45133
7755.0000 -200.21331 -195.95694 4.25637 1.87361 -195.89609 405.82495
7760.0000 -199.92341 -195.76989 4.15353 1.86100 -196.12638 397.84218
7765.0000 -200.89327 -196.81747 4.07580 1.82207 -196.83701 366.84436
7770.0000 -201.30974 -197.38905 3.92069 1.80154 -197.21183 347.43583
7775.0000 -200.33320 -195.95145 4.38175 1.84114 -196.48881 379.95863
7780.0000 -200.17901 -196.93830 3.24070 1.83059 -196.68145 369.14918
7785.0000 -200.58784 -196.89654 3.69130 1.82307 -196.81877 364.55718
7790.0000 -200.27604 -196.27740 3.99864 1.83395 -196.62015 377.38961
7795.0000 -199.64857 -195.17008 4.47849 1.87235 -195.91906 402.67852
7800.0000 -199.85200 -195.66730 4.18470 1.88875 -195.61970 416.76935
7805.0000 -200.47845 -196.50543 3.97302 1.86787 -196.00081 405.31418
7810.0000 -200.20561 -196.58699 3.61862 1.83109 -196.67226 372.84510
7815.0000 -200.30458 -196.77375 3.53084 1.82914 -196.70792 369.78082
7820.0000 -200.25775 -196.30707 3.95068 1.83345 -196.62933 372.40773
7825.0000 -200.17085 -196.03636 4.13449 1.85151 -196.29948 390.77312
7830.0000 -200.19906 -196.52803 3.67103 1.83882 -196.53130 376.25186
7835.0000 -199.32776 -194.95675 4.37101 1.89488 -195.50776 422.65788
7840.0000 -199.93298 -195.75070 4.18228 1.91558 -195.12985 438.14839
7845.0000 -200.40266 -196.10007 4.30259 1.87450 -195.87989 408.04192
7850.0000 -200.38574 -195.77064 4.61510 1.86394 -196.07271 400.55359
7855.0000 -200.16178 -196.25339 3.90839 1.87388 -195.89114 404.73609
7860.0000 -200.42595 -196.60360 3.82235 1.84748 -196.37320 381.60808
7865.0000 -200.75606 -196.85840 3.89766 1.84244 -196.46518 382.78009
7870.0000 -200.69379 -196.46690 4.22689 1.82160 -196.84561 365.53599
7875.0000 -199.54812 -195.29367 4.25445 1.89790 -195.45264 423.69142
7880.0000 -200.21099 -196.08952 4.12148 1.89189 -195.56235 421.71551
7885.0000 -200.47861 -197.00786 3.47075 1.83527 -196.59605 374.37043
7890.0000 -199.51135 -196.30993 3.20142 1.86021 -196.14079 398.33872
7895.0000 -200.00532 -195.93291 4.07241 1.84732 -196.37607 384.43920
7900.0000 -200.47249 -196.57424 3.89825 1.86350 -196.08076 399.40354
7905.0000 -200.69193 -197.37037 3.32156 1.78949 -197.43171 335.70607
7910.0000 -200.48906 -196.48742 4.00164 1.82565 -196.77158 370.35755
7915.0000 -200.84708 -197.81348 3.03360 1.80305 -197.18413 349.19981
7920.0000 -199.99047 -196.04620 3.94426 1.81178 -197.02487 356.60928
7925.0000 -199.85450 -195.92163 3.93288 1.86169 -196.11371 399.00061
7930.0000 -200.28823 -196.58139 3.70684 1.85353 -196.26267 395.32766
7935.0000 -199.96123 -196.28176 3.67948 1.84687 -196.38431 382.24928
7940.0000 -199.51293 -196.12289 3.39004 1.86183 -196.11119 398.74759
7945.0000 -200.70142 -196.95942 3.74200 1.85418 -196.25083 391.71848
7950.0000 -200.76222 -196.92242 3.83981 1.80770 -197.09934 350.70488
7955.0000 -200.96151 -197.17078 3.79073 1.80549 -197.13976 352.91585
7960.0000 -201.41345 -197.81342 3.60003 1.79549 -197.32216 346.46989
7965.0000 -199.92238 -196.05097 3.87141 1.81556 -196.95588 358.31344
7970.0000 -199.97485 -195.89825 4.07660 1.86337 -196.08309 398.87423
7975.0000 -199.56025 -195.40519 4.15506 1.87527 -195.86576 407.05307
7980.0000 -199.59477 -195.78567 3.80910 1.87990 -195.78123 415.62841
7985.0000 -199.94984 -196.95590 2.99394 1.84743 -196.37412 388.45342
7990.0000 -200.33922 -196.18395 4.15526 1.84361 -196.44383 385.14618
7995.0000 -200.59912 -196.19092 4.40820 1.87328 -195.90209 406.35437
8000.0000 -200.78327 -196.57001 4.21326 1.84046 -196.50121 380.95052
FREEZING PROCESS: loop number 33 T-loop= 358.00000000000000
main_MD> interactions number 33 at Temperature= 358.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33292 -0.40923 1.99096
force_rgl> df(natom) 0.72543 1.51552 0.68369
8005.0000 -200.25114 -196.56812 3.68302 1.84988 -196.32924 383.74368
8010.0000 -200.59130 -196.88995 3.70135 1.83878 -196.53193 379.54367
8015.0000 -201.08377 -197.21237 3.87140 1.81765 -196.91771 358.90289
8020.0000 -201.40816 -197.86028 3.54788 1.80206 -197.20236 346.21458
8025.0000 -200.92704 -197.60139 3.32565 1.78831 -197.45333 336.89463
8030.0000 -200.76121 -196.96716 3.79405 1.79350 -197.35864 343.48450
8035.0000 -200.59777 -197.16777 3.43000 1.83171 -196.66096 374.60398
8040.0000 -200.22718 -196.17055 4.05663 1.82231 -196.83265 366.49771
8045.0000 -200.39743 -196.56051 3.83692 1.84343 -196.44704 379.90289
8050.0000 -201.23516 -197.47522 3.75994 1.82075 -196.86107 358.44853
8055.0000 -201.14989 -197.97005 3.17983 1.76202 -197.93327 314.06404
8060.0000 -201.08742 -198.22915 2.85827 1.75307 -198.09658 306.00499
8065.0000 -201.01671 -197.32929 3.68742 1.76761 -197.83117 319.89312
8070.0000 -200.19682 -196.62134 3.57548 1.83516 -196.59798 373.97389
8075.0000 -200.77731 -197.36789 3.40942 1.82005 -196.87386 362.78161
8080.0000 -201.22549 -197.76903 3.45646 1.78309 -197.54855 331.79959
8085.0000 -200.56521 -196.79462 3.77060 1.79345 -197.35946 338.88119
8090.0000 -200.40959 -196.95664 3.45295 1.81763 -196.91802 359.50277
8095.0000 -199.96191 -196.37335 3.58856 1.82976 -196.69665 372.45226
8100.0000 -200.69679 -197.47311 3.22367 1.81908 -196.89165 360.57526
8105.0000 -199.86555 -196.49873 3.36682 1.79719 -197.29117 343.17828
8110.0000 -200.88298 -196.25031 4.63267 1.84507 -196.41720 385.31036
8115.0000 -199.88627 -196.16723 3.71905 1.84400 -196.43671 382.94833
8120.0000 -199.41205 -196.13890 3.27315 1.84449 -196.42766 378.80375
8125.0000 -200.44250 -196.24135 4.20115 1.85560 -196.22493 389.18363
8130.0000 -199.42523 -195.46173 3.96350 1.87126 -195.93892 403.90807
8135.0000 -200.52099 -197.46889 3.05210 1.80887 -197.07790 351.83922
8140.0000 -200.35391 -196.35033 4.00357 1.81476 -196.97053 357.99344
8145.0000 -200.01404 -196.67760 3.33645 1.84161 -196.48023 380.88212
8150.0000 -200.36253 -196.66247 3.70006 1.82463 -196.79031 365.28190
8155.0000 -201.15303 -198.02022 3.13281 1.79666 -197.30082 342.49257
8160.0000 -199.81604 -196.07652 3.73952 1.80104 -197.22083 346.17231
8165.0000 -200.19268 -196.67538 3.51731 1.83950 -196.51888 379.23862
8170.0000 -200.61611 -196.98791 3.62820 1.83148 -196.66521 366.52397
8175.0000 -200.42642 -197.35447 3.07195 1.81167 -197.02680 358.80253
8180.0000 -200.38535 -196.80246 3.58289 1.80830 -197.08836 350.43617
8185.0000 -200.90664 -197.59574 3.31090 1.79973 -197.24477 346.98766
8190.0000 -200.77150 -197.22181 3.54968 1.77993 -197.60636 327.69022
8195.0000 -201.05258 -197.78532 3.26726 1.79540 -197.32380 343.07499
8200.0000 -200.93172 -197.52726 3.40446 1.76695 -197.84316 318.68203
8205.0000 -200.85220 -197.04856 3.80363 1.78339 -197.54315 329.97244
8210.0000 -200.55195 -197.23234 3.31962 1.79620 -197.30925 342.42980
8215.0000 -200.16485 -196.52289 3.64196 1.82864 -196.71706 370.98932
8220.0000 -200.43605 -197.38213 3.05392 1.81843 -196.90348 361.08994
8225.0000 -201.11032 -197.95299 3.15733 1.77283 -197.73594 322.99918
8230.0000 -200.14651 -197.09768 3.04883 1.77732 -197.65394 327.69209
8235.0000 -199.82093 -196.29568 3.52525 1.82947 -196.70195 370.95667
8240.0000 -200.48439 -196.75395 3.73044 1.83754 -196.55462 373.56505
8245.0000 -200.64995 -196.81493 3.83502 1.81396 -196.98511 355.98457
8250.0000 -200.55972 -196.35281 4.20691 1.83024 -196.68780 371.91258
FREEZING PROCESS: loop number 34 T-loop= 333.00000000000000
main_MD> interactions number 34 at Temperature= 333.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74473 -0.72311 0.74842
force_rgl> df(natom) -0.87862 0.12566 -0.51906
8255.0000 -200.62585 -196.88986 3.73600 1.83984 -196.51260 376.86637
8260.0000 -200.71546 -196.75682 3.95864 1.82762 -196.73569 371.02637
8265.0000 -199.96481 -196.87290 3.09191 1.80777 -197.09800 349.85900
8270.0000 -200.57334 -197.34109 3.23225 1.80726 -197.10734 357.32692
8275.0000 -200.85746 -196.94501 3.91244 1.82159 -196.84583 366.61296
8280.0000 -201.10181 -197.83438 3.26742 1.77373 -197.71953 323.55644
8285.0000 -201.37913 -198.48373 2.89540 1.74191 -198.30045 296.00938
8290.0000 -201.14244 -198.16593 2.97651 1.73378 -198.44874 290.26652
8295.0000 -201.54015 -198.56450 2.97565 1.72814 -198.55171 286.14482
8300.0000 -201.07234 -197.83995 3.23238 1.75482 -198.06477 307.41374
8305.0000 -200.78813 -197.37234 3.41579 1.79067 -197.41016 339.23250
8310.0000 -201.11473 -197.49811 3.61661 1.78391 -197.53367 335.63955
8315.0000 -201.15713 -197.57039 3.58674 1.78811 -197.45688 336.33936
8320.0000 -201.23567 -197.60710 3.62858 1.78251 -197.55920 331.22043
8325.0000 -200.60819 -197.31576 3.29243 1.79434 -197.34326 340.45802
8330.0000 -200.99197 -197.87136 3.12061 1.79855 -197.26644 342.92224
8335.0000 -200.89915 -197.54333 3.35582 1.77120 -197.76572 321.99496
8340.0000 -200.86329 -197.04670 3.81660 1.81414 -196.98168 357.76005
8345.0000 -200.47981 -197.14367 3.33613 1.80726 -197.10740 353.83110
8350.0000 -201.12343 -197.68027 3.44316 1.79640 -197.30554 340.62999
8355.0000 -201.39534 -198.37123 3.02411 1.76065 -197.95818 313.22091
8360.0000 -200.61420 -197.68954 2.92465 1.74106 -198.31585 294.43844
8365.0000 -200.94701 -197.35366 3.59335 1.79647 -197.30436 341.28710
8370.0000 -200.44373 -197.26029 3.18344 1.79703 -197.29415 344.56047
8375.0000 -201.11684 -197.66571 3.45112 1.79220 -197.38224 337.87288
8380.0000 -200.89979 -197.95508 2.94472 1.78280 -197.55396 331.19510
8385.0000 -200.94124 -197.44177 3.49947 1.79168 -197.39179 336.70822
8390.0000 -201.02723 -197.87118 3.15605 1.77689 -197.66187 326.54645
8395.0000 -201.06516 -197.85848 3.20668 1.75282 -198.10128 308.83002
8400.0000 -201.10257 -197.86357 3.23900 1.76198 -197.93394 316.99593
8405.0000 -200.77922 -197.34308 3.43613 1.76313 -197.91291 316.83682
8410.0000 -200.95811 -197.62515 3.33296 1.78474 -197.51856 333.35381
8415.0000 -200.26220 -196.85817 3.40404 1.79013 -197.42005 336.67861
8420.0000 -200.81068 -197.24632 3.56436 1.81800 -196.91138 360.16302
8425.0000 -200.89058 -197.22590 3.66468 1.79547 -197.32255 339.78184
8430.0000 -201.08334 -197.75660 3.32673 1.76925 -197.80117 318.97370
8435.0000 -200.90996 -197.90524 3.00472 1.75667 -198.03097 310.76949
8440.0000 -200.73562 -197.18275 3.55286 1.78522 -197.50978 333.29957
8445.0000 -200.81094 -197.46473 3.34621 1.78940 -197.43335 336.56356
8450.0000 -200.99708 -198.03183 2.96525 1.76544 -197.87087 315.13345
8455.0000 -201.48155 -198.16194 3.31961 1.74778 -198.19324 301.99873
8460.0000 -200.78009 -196.98126 3.79883 1.77131 -197.76374 323.67185
8465.0000 -200.83370 -197.87573 2.95797 1.79390 -197.35121 340.42104
8470.0000 -200.74079 -197.70232 3.03847 1.78299 -197.55039 330.94415
8475.0000 -200.88313 -197.60797 3.27516 1.77841 -197.63400 325.92739
8480.0000 -200.68370 -196.50662 4.17708 1.78655 -197.48548 333.44119
8485.0000 -200.32839 -196.76075 3.56764 1.82527 -196.77865 366.43594
8490.0000 -200.77556 -196.96575 3.80981 1.82649 -196.75627 368.31426
8495.0000 -200.57804 -196.95767 3.62037 1.81867 -196.89899 357.69037
8500.0000 -200.65906 -197.04043 3.61862 1.79408 -197.34797 341.14809
FREEZING PROCESS: loop number 35 T-loop= 308.00000000000000
main_MD> interactions number 35 at Temperature= 308.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63880 -0.43980 -0.69187
force_rgl> df(natom) -2.16561 1.61200 0.74746
8505.0000 -201.04156 -197.50107 3.54049 1.78061 -197.59382 326.51950
8510.0000 -201.11914 -197.63170 3.48744 1.79474 -197.33592 343.56791
8515.0000 -201.40110 -198.06368 3.33743 1.75316 -198.09497 307.91440
8520.0000 -201.52203 -198.24551 3.27652 1.74503 -198.24349 301.55420
8525.0000 -200.92626 -197.93899 2.98727 1.73251 -198.47200 288.19054
8530.0000 -201.49402 -198.79333 2.70068 1.73505 -198.42567 290.34812
8535.0000 -201.18012 -198.46640 2.71372 1.73335 -198.45656 287.45758
8540.0000 -201.08585 -198.08819 2.99766 1.74624 -198.22131 300.48182
8545.0000 -200.47650 -197.51285 2.96365 1.76038 -197.96326 311.68836
8550.0000 -200.57631 -197.49159 3.08472 1.77546 -197.68781 323.23716
8555.0000 -201.51406 -198.60779 2.90627 1.75632 -198.03724 311.20632
8560.0000 -201.13100 -197.84634 3.28465 1.74269 -198.28610 298.10193
8565.0000 -200.83410 -197.90814 2.92596 1.76209 -197.93202 313.16437
8570.0000 -201.44586 -198.58626 2.85959 1.76191 -197.93533 314.08008
8575.0000 -201.43253 -197.96387 3.46866 1.75433 -198.07355 306.91648
8580.0000 -200.96461 -197.83782 3.12678 1.75415 -198.07700 306.16088
8585.0000 -201.08776 -197.98720 3.10055 1.76556 -197.86863 319.05398
8590.0000 -200.79806 -198.01633 2.78173 1.76587 -197.86293 317.28787
8595.0000 -201.15428 -198.13231 3.02197 1.75918 -197.98511 310.32564
8600.0000 -201.50212 -198.17805 3.32408 1.74033 -198.32926 294.05664
8605.0000 -201.14274 -198.34260 2.80013 1.75587 -198.04553 307.17256
8610.0000 -201.01229 -197.33671 3.67558 1.75231 -198.11052 307.35453
8615.0000 -200.93035 -197.24742 3.68293 1.78125 -197.58219 330.22145
8620.0000 -201.04020 -197.68454 3.35566 1.79492 -197.33264 343.04764
8625.0000 -201.12898 -197.77838 3.35061 1.76150 -197.94265 312.86139
8630.0000 -200.82853 -197.85345 2.97508 1.77007 -197.78624 320.77124
8635.0000 -201.34527 -197.88275 3.46252 1.75557 -198.05098 307.75487
8640.0000 -200.89014 -197.77660 3.11354 1.75144 -198.12636 306.68719
8645.0000 -200.96199 -197.97567 2.98632 1.76881 -197.80935 319.36403
8650.0000 -201.96417 -198.55619 3.40798 1.75088 -198.13665 302.09803
8655.0000 -200.94100 -198.32021 2.62078 1.73045 -198.50949 286.53492
8660.0000 -200.86387 -198.05831 2.80556 1.73410 -198.44298 290.96305
8665.0000 -200.89593 -197.25122 3.64471 1.77631 -197.67234 327.48332
8670.0000 -200.51158 -197.30642 3.20516 1.78275 -197.55475 328.30300
8675.0000 -201.19893 -198.39941 2.79953 1.75896 -197.98906 311.17423
8680.0000 -201.28032 -198.14342 3.13690 1.73675 -198.39451 296.00747
8685.0000 -201.36620 -198.14587 3.22033 1.74306 -198.27938 297.51061
8690.0000 -201.36242 -198.74559 2.61683 1.72705 -198.57158 287.08298
8695.0000 -201.29360 -198.18947 3.10413 1.73469 -198.43216 293.39980
8700.0000 -201.21430 -197.72666 3.48764 1.75679 -198.02873 307.26188
8705.0000 -201.17082 -197.88791 3.28291 1.76444 -197.88901 313.95708
8710.0000 -200.95199 -197.88837 3.06362 1.76295 -197.91628 317.16327
8715.0000 -200.61631 -197.72891 2.88740 1.76159 -197.94110 316.72302
8720.0000 -201.47854 -198.40411 3.07443 1.76295 -197.91626 316.30146
8725.0000 -201.00796 -198.26673 2.74123 1.74708 -198.20593 303.25859
8730.0000 -201.58281 -198.89125 2.69156 1.72599 -198.59105 281.51518
8735.0000 -201.24853 -198.39315 2.85538 1.73758 -198.37949 291.77721
8740.0000 -201.33073 -198.29066 3.04007 1.74011 -198.33330 293.73179
8745.0000 -201.43573 -198.42086 3.01486 1.73424 -198.44032 288.45303
8750.0000 -201.20676 -198.01932 3.18744 1.74875 -198.17556 303.61176
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 35.7259394 [s].
main_MD> Deallocating global variables
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