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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_46/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_46.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 = 46 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 46 4600
main_MD> Size of nv and nvoiz: 46 4600
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 = 46
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> -2.0019491070514214E-003 -0.11820113541718769 -9.1593693731958581E-002 initial drift of cluster / NP1 for coalescence
init> 0.37277228173545857 0.35753120021306978 0.33425474003225319 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6091242618559879E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.75160 1.68868 2.87397
force_rgl> df(natom) 1.98108 2.06018 1.54928
preparo> THERMALIZATION PROCESS AT 1128.9646609223892
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -100.92348361518353 6.2456480419372484 -107.16913165712077 5.8638458016030772E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 33
FREEZING PROCESS: loop number 1 T-loop= 1105.0000000000000
main_MD> interactions number 1 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.45237 -2.29099 -2.33428
force_rgl> df(natom) -0.71017 0.57535 -1.42454
5.0000 -105.87457 -99.91495 5.95961 2.68163 -101.27263 996.95629
10.0000 -109.30886 -103.18472 6.12413 2.62514 -101.99783 1041.60576
15.0000 -108.07854 -102.47892 5.59962 2.51686 -103.38792 911.09006
20.0000 -107.84583 -102.53852 5.30731 2.63251 -101.90328 998.31571
25.0000 -108.10277 -100.43325 7.66952 2.65456 -101.62015 1037.72293
30.0000 -106.78509 -99.24810 7.53698 2.73779 -100.55161 1115.41481
35.0000 -104.40176 -97.83509 6.56666 2.88647 -98.64280 1202.42546
40.0000 -105.50773 -98.36657 7.14116 2.90653 -98.38526 1250.10329
45.0000 -105.91557 -100.04209 5.87348 2.79710 -99.79021 1110.91563
50.0000 -107.87823 -102.42065 5.45758 2.69582 -101.09049 1036.73818
55.0000 -107.03093 -100.58490 6.44603 2.67579 -101.34756 1047.17000
60.0000 -107.15958 -100.17185 6.98774 2.75249 -100.36288 1139.17263
65.0000 -106.52138 -99.91664 6.60474 2.79114 -99.86666 1134.42669
70.0000 -107.83526 -100.85862 6.97664 2.70649 -100.95351 1054.33705
75.0000 -106.53258 -100.01228 6.52030 2.73710 -100.56048 1122.46602
80.0000 -109.29285 -102.73024 6.56261 2.63780 -101.83531 1016.71272
85.0000 -107.60655 -100.18940 7.41714 2.59261 -102.41552 1012.85916
90.0000 -106.79898 -99.48677 7.31221 2.79186 -99.85740 1136.39398
95.0000 -107.32233 -100.64061 6.68172 2.79896 -99.76632 1086.36201
100.0000 -105.67818 -98.93618 6.74200 2.81345 -99.58033 1160.15660
105.0000 -107.52937 -102.47691 5.05246 2.72529 -100.71213 1074.93515
110.0000 -108.59006 -101.59082 6.99925 2.62339 -102.02034 1038.70610
115.0000 -106.98216 -100.54331 6.43885 2.64777 -101.70732 1026.64381
120.0000 -107.61534 -99.25827 8.35707 2.68762 -101.19566 1053.13749
125.0000 -107.03366 -100.67291 6.36075 2.79496 -99.81768 1073.78494
130.0000 -106.84333 -101.78994 5.05339 2.70666 -100.95122 1036.58518
135.0000 -107.34438 -101.64062 5.70376 2.65331 -101.63621 1005.22700
140.0000 -107.75770 -100.89688 6.86082 2.72904 -100.66397 1087.05738
145.0000 -107.94954 -100.45701 7.49253 2.73052 -100.64496 1090.29326
150.0000 -104.94102 -99.06330 5.87772 2.80402 -99.70137 1174.86493
155.0000 -107.68380 -98.94399 8.73981 2.91788 -98.23958 1269.46517
160.0000 -107.22039 -100.26435 6.95604 2.85649 -99.02770 1177.51277
165.0000 -107.75085 -101.07213 6.67872 2.76207 -100.23986 1116.47948
170.0000 -107.16297 -100.96976 6.19321 2.69418 -101.11148 1065.12051
175.0000 -107.67141 -101.28988 6.38153 2.74788 -100.42207 1123.78694
180.0000 -106.63248 -99.93701 6.69547 2.76513 -100.20058 1135.77252
185.0000 -107.13058 -100.23859 6.89200 2.79779 -99.78128 1087.77720
190.0000 -105.04184 -99.02381 6.01803 2.85395 -99.06028 1167.23277
195.0000 -105.54202 -98.33885 7.20317 2.97685 -97.48245 1316.80279
200.0000 -105.36898 -98.28283 7.08615 2.90016 -98.46707 1237.21497
205.0000 -105.75941 -99.45606 6.30335 2.86558 -98.91103 1194.86893
210.0000 -108.27997 -101.08124 7.19873 2.75234 -100.36485 1099.90566
215.0000 -107.33274 -100.65850 6.67424 2.74753 -100.42663 1075.92373
220.0000 -107.62421 -102.92892 4.69529 2.70257 -101.00379 1067.07944
225.0000 -108.56763 -101.62706 6.94057 2.68162 -101.27276 1096.65119
230.0000 -108.10702 -103.00633 5.10069 2.55118 -102.94738 954.47130
235.0000 -106.92355 -102.11827 4.80528 2.64157 -101.78697 1042.13354
240.0000 -106.93967 -97.86129 9.07837 2.80840 -99.64516 1145.88923
245.0000 -105.65861 -98.50351 7.15510 2.99079 -97.30353 1267.37935
250.0000 -104.10151 -98.03020 6.07131 2.86874 -98.87045 1170.59990
FREEZING PROCESS: loop number 2 T-loop= 1080.0000000000000
main_MD> interactions number 2 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.21145 0.95699 1.76571
force_rgl> df(natom) 0.09854 -0.97784 1.22045
255.0000 -106.94034 -100.18728 6.75305 2.76833 -100.15956 1123.01994
260.0000 -107.04167 -100.31572 6.72594 2.79090 -99.86972 1151.55539
265.0000 -105.21077 -98.71073 6.50004 2.77191 -100.11364 1146.03527
270.0000 -105.13147 -98.88833 6.24314 2.85263 -99.07722 1149.92665
275.0000 -104.66105 -97.36709 7.29396 3.00097 -97.17284 1256.69584
280.0000 -105.25981 -97.50343 7.75638 2.96626 -97.61849 1258.41225
285.0000 -105.65017 -98.73756 6.91261 2.89896 -98.48254 1228.39161
290.0000 -106.45488 -99.23037 7.22451 2.81191 -99.60005 1153.32040
295.0000 -107.49173 -101.03395 6.45778 2.76466 -100.20663 1136.67166
300.0000 -107.27209 -100.40572 6.86637 2.74377 -100.47478 1086.96944
305.0000 -107.20559 -101.44527 5.76032 2.69223 -101.13656 1046.78097
310.0000 -106.92042 -100.72183 6.19859 2.79304 -99.84232 1128.79775
315.0000 -108.29028 -101.07317 7.21711 2.70592 -100.96078 1072.08628
320.0000 -106.89912 -101.74261 5.15651 2.71627 -100.82796 1086.17151
325.0000 -106.93465 -98.88294 8.05171 2.78460 -99.95060 1152.21504
330.0000 -107.38288 -100.71259 6.67029 2.83065 -99.35943 1157.69175
335.0000 -109.00065 -101.96991 7.03074 2.64143 -101.78867 999.47657
340.0000 -107.42188 -101.22355 6.19833 2.67097 -101.40953 1068.97700
345.0000 -107.24924 -101.08732 6.16193 2.65051 -101.67209 954.02568
350.0000 -107.12459 -100.40261 6.72198 2.70998 -100.90870 1083.36968
355.0000 -106.86132 -100.69211 6.16921 2.79273 -99.84633 1133.21951
360.0000 -106.40823 -99.65549 6.75273 2.76266 -100.23227 1102.82290
365.0000 -107.89135 -101.40457 6.48677 2.82677 -99.40932 1138.39506
370.0000 -109.50704 -103.88765 5.61939 2.58776 -102.47768 969.56944
375.0000 -107.36191 -101.13220 6.22972 2.56368 -102.78683 1007.51246
380.0000 -106.35800 -100.30206 6.05593 2.75477 -100.33368 1108.77533
385.0000 -106.57663 -100.31745 6.25918 2.77588 -100.06257 1104.36605
390.0000 -107.54957 -101.76966 5.77992 2.73040 -100.64646 1060.01111
395.0000 -107.41646 -100.99801 6.41846 2.64308 -101.76751 1025.55353
400.0000 -107.23802 -101.29258 5.94544 2.72141 -100.76188 1080.57086
405.0000 -106.70051 -100.77830 5.92221 2.68785 -101.19279 1019.13702
410.0000 -105.97360 -99.00698 6.96662 2.81305 -99.58537 1158.19605
415.0000 -105.97241 -99.21743 6.75497 2.84510 -99.17396 1168.17620
420.0000 -107.23950 -101.05707 6.18243 2.71476 -100.84726 1074.58080
425.0000 -108.37762 -102.06856 6.30905 2.71191 -100.88392 1088.58390
430.0000 -107.60791 -101.40058 6.20733 2.67917 -101.30421 1028.07224
435.0000 -107.21447 -101.34323 5.87124 2.70893 -100.92209 1104.23628
440.0000 -107.02921 -100.89676 6.13246 2.63610 -101.85709 1015.32771
445.0000 -107.90304 -99.66812 8.23492 2.78661 -99.92484 1139.91456
450.0000 -107.52131 -101.27748 6.24382 2.70173 -101.01459 1025.65339
455.0000 -106.08999 -100.89283 5.19716 2.72590 -100.70432 1091.83788
460.0000 -108.07486 -101.37493 6.69993 2.73052 -100.64494 1108.72230
465.0000 -108.78258 -100.90260 7.87998 2.65066 -101.67021 1073.52878
470.0000 -107.43150 -100.32518 7.10632 2.81459 -99.56567 1159.34909
475.0000 -108.39692 -101.31447 7.08245 2.68854 -101.18393 1063.13234
480.0000 -109.53037 -103.56376 5.96661 2.67047 -101.41584 1059.38809
485.0000 -108.56045 -101.94291 6.61754 2.57437 -102.64962 956.81818
490.0000 -105.87095 -100.02235 5.84860 2.72533 -100.71159 1106.46646
495.0000 -108.20706 -101.26610 6.94096 2.73756 -100.55457 1111.99524
500.0000 -107.24766 -100.56743 6.68023 2.69052 -101.15847 1073.13525
FREEZING PROCESS: loop number 3 T-loop= 1055.0000000000000
main_MD> interactions number 3 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01623 -1.16811 -0.34692
force_rgl> df(natom) -6.20711 4.28648 -2.24903
505.0000 -107.29357 -100.43529 6.85828 2.74067 -100.51461 1089.11911
510.0000 -106.28522 -99.14479 7.14043 2.83496 -99.30411 1180.59132
515.0000 -105.94112 -99.19993 6.74119 2.79884 -99.76785 1154.15663
520.0000 -107.27187 -100.80752 6.46435 2.80396 -99.70214 1155.14143
525.0000 -107.08520 -100.82830 6.25691 2.73042 -100.64625 1075.02471
530.0000 -107.02450 -100.60710 6.41740 2.70834 -100.92966 1055.90734
535.0000 -106.35221 -99.75187 6.60034 2.75663 -100.30978 1137.96430
540.0000 -107.49692 -101.32065 6.17628 2.69069 -101.15625 1075.08711
545.0000 -106.62884 -100.09725 6.53158 2.74378 -100.47466 1070.79070
550.0000 -105.37121 -98.03519 7.33602 2.80941 -99.63209 1131.21074
555.0000 -106.09211 -100.03505 6.05706 2.80359 -99.70683 1096.15729
560.0000 -107.27295 -100.53751 6.73544 2.79009 -99.88021 1127.88211
565.0000 -107.42398 -100.25587 7.16811 2.74771 -100.42426 1112.25846
570.0000 -108.47141 -102.14121 6.33020 2.68910 -101.17676 1094.89946
575.0000 -108.47858 -100.81646 7.66211 2.66300 -101.51183 1026.80284
580.0000 -106.22827 -100.66318 5.56509 2.73408 -100.59924 1059.69135
585.0000 -107.31653 -100.28748 7.02905 2.73182 -100.62830 1068.60978
590.0000 -106.01394 -98.64667 7.36726 2.85444 -99.05406 1207.62172
595.0000 -107.11469 -101.92792 5.18678 2.76446 -100.20924 1106.83353
600.0000 -107.50966 -101.68935 5.82031 2.63171 -101.91354 996.57791
605.0000 -106.34463 -99.90954 6.43509 2.75611 -100.31638 1095.92973
610.0000 -107.30173 -100.65888 6.64285 2.79910 -99.76447 1167.31879
615.0000 -107.74608 -101.86962 5.87647 2.61179 -102.16921 1004.20049
620.0000 -109.31881 -102.71636 6.60245 2.63949 -101.81367 1000.27354
625.0000 -107.07612 -100.39790 6.67822 2.64042 -101.80173 1032.26828
630.0000 -108.53937 -102.44839 6.09097 2.64016 -101.80495 983.14145
635.0000 -108.73221 -103.29978 5.43243 2.56664 -102.74885 1001.71833
640.0000 -108.81002 -102.73172 6.07830 2.50149 -103.58524 916.80029
645.0000 -107.50763 -100.46432 7.04330 2.72980 -100.65414 1096.20491
650.0000 -107.34055 -101.35171 5.98884 2.76842 -100.15839 1140.83305
655.0000 -108.33068 -101.41096 6.91971 2.66066 -101.54177 1048.51593
660.0000 -109.08704 -102.82927 6.25777 2.56435 -102.77829 953.72206
665.0000 -106.32445 -100.49919 5.82527 2.62534 -101.99526 1034.41857
670.0000 -106.33102 -100.14634 6.18469 2.74181 -100.50004 1042.67329
675.0000 -107.53037 -101.89014 5.64024 2.68480 -101.23194 1054.44387
680.0000 -106.00809 -98.58677 7.42132 2.74757 -100.42608 1077.78391
685.0000 -107.87319 -100.29792 7.57527 2.81727 -99.53121 1158.09268
690.0000 -107.04889 -100.20746 6.84143 2.69563 -101.09293 1074.88457
695.0000 -107.26292 -100.86159 6.40133 2.74168 -100.50171 1094.20802
700.0000 -108.75863 -102.79488 5.96375 2.64595 -101.73068 1033.36348
705.0000 -106.97193 -102.06190 4.91003 2.61541 -102.12282 1028.42966
710.0000 -105.06225 -98.99045 6.07180 2.75548 -100.32450 1088.56382
715.0000 -107.00400 -99.43757 7.56643 2.85321 -99.06987 1163.16077
720.0000 -107.75452 -100.44807 7.30646 2.87561 -98.78226 1198.94369
725.0000 -108.38748 -101.96972 6.41776 2.68459 -101.23456 1055.99213
730.0000 -107.51555 -102.26760 5.24795 2.56658 -102.74966 965.32619
735.0000 -109.11195 -102.80152 6.31043 2.59545 -102.37896 994.44232
740.0000 -107.07478 -100.04133 7.03344 2.67075 -101.41231 1037.03899
745.0000 -107.89506 -100.77701 7.11805 2.76725 -100.17335 1106.38748
750.0000 -105.81011 -100.24927 5.56084 2.76936 -100.14630 1096.21710
FREEZING PROCESS: loop number 4 T-loop= 1030.0000000000000
main_MD> interactions number 4 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.60475 0.24299 2.08496
force_rgl> df(natom) 0.77849 -1.97039 0.67610
755.0000 -107.06256 -100.00840 7.05415 2.80795 -99.65087 1158.79178
760.0000 -107.72370 -101.20621 6.51749 2.69364 -101.11842 1079.44960
765.0000 -106.72225 -101.09174 5.63051 2.66563 -101.47802 1026.95181
770.0000 -106.47345 -101.73256 4.74088 2.63853 -101.82600 985.29696
775.0000 -108.14157 -101.01991 7.12166 2.63012 -101.93394 998.33525
780.0000 -108.20151 -103.55037 4.65114 2.59927 -102.32991 948.15033
785.0000 -108.96063 -102.74440 6.21623 2.56461 -102.77491 939.24865
790.0000 -107.63988 -101.16008 6.47980 2.69873 -101.05308 1081.91759
795.0000 -105.84251 -98.89296 6.94955 2.75501 -100.33048 1101.62038
800.0000 -107.25497 -101.16517 6.08980 2.75650 -100.31144 1084.54933
805.0000 -107.67922 -102.01513 5.66410 2.65191 -101.65410 1047.02343
810.0000 -108.25667 -103.00283 5.25384 2.62561 -101.99177 1009.81511
815.0000 -108.84818 -103.40247 5.44570 2.49248 -103.70102 885.55994
820.0000 -108.77037 -102.75404 6.01633 2.54237 -103.06041 900.68285
825.0000 -108.11495 -101.72151 6.39344 2.61335 -102.14924 959.57225
830.0000 -109.53828 -102.03112 7.50716 2.59825 -102.34309 986.42857
835.0000 -107.34498 -101.43248 5.91250 2.65754 -101.58183 1019.46495
840.0000 -108.50517 -103.23306 5.27210 2.63078 -101.92545 1015.13022
845.0000 -108.38075 -103.32590 5.05486 2.51801 -103.37326 891.39241
850.0000 -107.58048 -102.58384 4.99664 2.55725 -102.86943 966.18936
855.0000 -107.95382 -101.84804 6.10577 2.62525 -101.99643 968.60834
860.0000 -106.72380 -101.39554 5.32826 2.66546 -101.48025 1031.97892
865.0000 -109.40023 -104.44519 4.95504 2.54423 -103.03658 931.13725
870.0000 -109.20101 -104.40290 4.79810 2.42953 -104.50914 846.51673
875.0000 -107.54342 -102.10182 5.44160 2.53039 -103.21431 932.91012
880.0000 -109.01681 -102.29743 6.71938 2.58364 -102.53069 960.97140
885.0000 -108.06972 -102.84546 5.22425 2.58203 -102.55126 963.97208
890.0000 -109.17537 -103.39240 5.78297 2.60197 -102.29535 1037.74846
895.0000 -108.15875 -102.50559 5.65316 2.60452 -102.26261 980.19160
900.0000 -108.50823 -102.56802 5.94021 2.63616 -101.85640 1010.51601
905.0000 -107.64281 -100.98834 6.65446 2.64904 -101.69096 1049.58470
910.0000 -105.05025 -99.01551 6.03473 2.78573 -99.93611 1137.21147
915.0000 -108.06010 -102.52734 5.53276 2.67555 -101.35061 968.62075
920.0000 -106.36299 -101.02020 5.34279 2.66599 -101.47344 1019.93393
925.0000 -106.81959 -101.09773 5.72186 2.66450 -101.49254 1058.74957
930.0000 -107.03209 -101.34007 5.69202 2.68311 -101.25363 1094.61673
935.0000 -107.98272 -101.87440 6.10832 2.76290 -100.22928 1100.55300
940.0000 -107.79980 -102.34508 5.45473 2.65935 -101.55869 999.66422
945.0000 -107.75566 -100.85206 6.90360 2.63958 -101.81243 1025.30672
950.0000 -107.15817 -102.24517 4.91301 2.64308 -101.76756 1019.60475
955.0000 -109.14755 -103.15980 5.98775 2.57041 -102.70043 965.26701
960.0000 -107.69382 -102.00851 5.68531 2.61401 -102.14068 976.65608
965.0000 -106.48191 -100.26300 6.21891 2.66294 -101.51250 1035.61576
970.0000 -107.18001 -101.06851 6.11150 2.67698 -101.33228 1042.30893
975.0000 -109.65058 -103.24377 6.40681 2.56988 -102.70734 979.03412
980.0000 -106.87906 -101.75133 5.12773 2.59279 -102.41318 997.49996
985.0000 -107.32633 -101.56358 5.76275 2.70072 -101.02752 1030.96841
990.0000 -106.52367 -99.71795 6.80572 2.75397 -100.34383 1096.68385
995.0000 -104.83108 -98.52930 6.30178 2.81610 -99.54622 1116.46258
1000.0000 -105.38155 -98.40459 6.97696 2.82378 -99.44768 1134.61920
FREEZING PROCESS: loop number 5 T-loop= 1005.0000000000000
main_MD> interactions number 5 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.35481 -0.09174 0.42833
force_rgl> df(natom) 1.75653 2.84588 2.89261
1005.0000 -108.54118 -103.48655 5.05464 2.72614 -100.70119 1068.58104
1010.0000 -107.07434 -101.83131 5.24304 2.56929 -102.71487 930.23317
1015.0000 -108.01234 -102.41950 5.59284 2.59965 -102.32512 1007.82798
1020.0000 -107.89571 -101.53391 6.36181 2.65329 -101.63646 1013.22119
1025.0000 -108.19859 -103.05720 5.14139 2.59131 -102.43221 978.71154
1030.0000 -107.98154 -103.28811 4.69342 2.50000 -103.60442 882.50597
1035.0000 -108.62241 -103.30700 5.31541 2.57317 -102.66501 944.73130
1040.0000 -108.18738 -102.10448 6.08290 2.55594 -102.88627 933.30267
1045.0000 -108.22492 -102.91482 5.31010 2.62251 -102.03158 1001.27660
1050.0000 -109.48647 -104.71628 4.77018 2.53012 -103.21774 931.29795
1055.0000 -109.44584 -103.17221 6.27363 2.49590 -103.65711 913.49906
1060.0000 -109.39293 -104.26170 5.13123 2.50202 -103.57845 905.72242
1065.0000 -107.04911 -100.60264 6.44647 2.59666 -102.36349 980.11983
1070.0000 -108.30649 -102.57672 5.72977 2.71863 -100.79765 1114.19668
1075.0000 -108.06173 -102.19406 5.86767 2.65277 -101.64311 1049.85937
1080.0000 -109.47207 -103.52584 5.94623 2.52636 -103.26596 928.16559
1085.0000 -107.05728 -101.02047 6.03682 2.65485 -101.61637 1033.56686
1090.0000 -109.05622 -102.60699 6.44923 2.66346 -101.50587 1040.88673
1095.0000 -106.24932 -98.87457 7.37475 2.69530 -101.09710 1058.60855
1100.0000 -106.12191 -100.88496 5.23695 2.74064 -100.51499 1067.58275
1105.0000 -107.89491 -101.82648 6.06842 2.68251 -101.26131 1066.85702
1110.0000 -108.31551 -102.07171 6.24380 2.60880 -102.20762 986.43604
1115.0000 -108.21701 -102.54563 5.67138 2.56384 -102.78477 926.58478
1120.0000 -108.43435 -103.24479 5.18957 2.54335 -103.04791 913.16917
1125.0000 -109.50414 -103.92341 5.58073 2.53197 -103.19404 947.58059
1130.0000 -109.30676 -104.70828 4.59848 2.45302 -104.20756 872.27105
1135.0000 -110.07587 -104.16292 5.91294 2.42259 -104.59828 896.52481
1140.0000 -107.69402 -101.54037 6.15365 2.50252 -103.57207 899.44502
1145.0000 -107.87407 -101.91133 5.96275 2.62209 -102.03706 1056.72188
1150.0000 -107.41072 -102.09335 5.31738 2.60033 -102.31635 996.89830
1155.0000 -107.83630 -102.11180 5.72451 2.62132 -102.04686 984.04531
1160.0000 -108.04859 -102.69411 5.35448 2.61770 -102.09332 980.18461
1165.0000 -108.33691 -102.36985 5.96707 2.60903 -102.20469 957.35776
1170.0000 -105.38550 -99.97974 5.40576 2.66444 -101.49330 1007.69058
1175.0000 -107.59589 -101.58835 6.00754 2.71146 -100.88971 1035.21330
1180.0000 -106.29760 -101.78107 4.51653 2.68835 -101.18632 1043.67803
1185.0000 -106.14745 -100.54831 5.59913 2.62680 -101.97648 986.14398
1190.0000 -108.99230 -102.47826 6.51404 2.65356 -101.63299 1022.45631
1195.0000 -107.74209 -100.47383 7.26826 2.62425 -102.00933 1024.32183
1200.0000 -107.18172 -100.66614 6.51558 2.77149 -100.11895 1123.66846
1205.0000 -108.12202 -102.10178 6.02024 2.68894 -101.17876 1077.03759
1210.0000 -107.95555 -102.34922 5.60633 2.62868 -101.95236 1009.84589
1215.0000 -108.23683 -101.72407 6.51276 2.56950 -102.71215 956.01886
1220.0000 -106.92784 -101.36793 5.55991 2.72463 -100.72058 1099.30939
1225.0000 -108.42809 -103.00484 5.42325 2.66122 -101.53461 1004.26586
1230.0000 -108.61446 -102.60582 6.00864 2.54456 -103.03230 941.21593
1235.0000 -107.03365 -101.38998 5.64366 2.66280 -101.51439 1013.67610
1240.0000 -108.09243 -101.64121 6.45122 2.64343 -101.76306 971.12719
1245.0000 -107.33501 -101.11604 6.21897 2.67310 -101.38218 1056.31041
1250.0000 -108.97659 -103.03474 5.94185 2.59066 -102.44048 991.09484
FREEZING PROCESS: loop number 6 T-loop= 980.00000000000000
main_MD> interactions number 6 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18208 -2.06136 1.98029
force_rgl> df(natom) -1.31354 1.87869 1.02296
1255.0000 -107.21725 -101.30158 5.91567 2.61927 -102.07315 1015.76237
1260.0000 -107.03599 -99.78603 7.24996 2.78348 -99.96510 1151.29445
1265.0000 -108.09708 -101.19942 6.89766 2.72839 -100.67223 1108.68261
1270.0000 -109.03460 -102.37863 6.65598 2.60311 -102.28067 1013.16248
1275.0000 -107.53547 -100.55028 6.98520 2.63535 -101.86673 998.15001
1280.0000 -107.53198 -101.07277 6.45921 2.72261 -100.74649 1094.15030
1285.0000 -108.08047 -102.64027 5.44020 2.57862 -102.59512 1010.08629
1290.0000 -108.58036 -102.97494 5.60543 2.50931 -103.48484 922.60408
1295.0000 -109.20227 -105.02330 4.17897 2.46554 -104.04681 884.45557
1300.0000 -109.59263 -103.84387 5.74876 2.46262 -104.08432 868.93609
1305.0000 -107.92518 -102.58792 5.33727 2.54257 -103.05794 939.00574
1310.0000 -106.43090 -101.42184 5.00906 2.60034 -102.31620 1011.71619
1315.0000 -107.89367 -101.28859 6.60508 2.67400 -101.37051 1071.62177
1320.0000 -107.50596 -102.32948 5.17648 2.64145 -101.78841 991.87928
1325.0000 -108.28632 -101.48243 6.80389 2.63868 -101.82398 946.21831
1330.0000 -105.80298 -100.76888 5.03410 2.72767 -100.68159 1042.84031
1335.0000 -107.56920 -100.91447 6.65473 2.66747 -101.45438 1036.61748
1340.0000 -107.43124 -102.19414 5.23710 2.63163 -101.91455 1024.67844
1345.0000 -108.57094 -103.60561 4.96532 2.57941 -102.58496 999.04307
1350.0000 -109.06199 -103.41297 5.64902 2.52610 -103.26938 923.13794
1355.0000 -108.49985 -103.61853 4.88132 2.51171 -103.45403 928.93166
1360.0000 -108.34542 -103.84146 4.50396 2.50353 -103.55911 907.23115
1365.0000 -109.36672 -103.33870 6.02802 2.46870 -104.00632 908.50081
1370.0000 -109.77457 -104.04031 5.73426 2.52888 -103.23364 942.86397
1375.0000 -109.38725 -104.56030 4.82695 2.44672 -104.28838 867.71423
1380.0000 -109.90624 -105.11517 4.79107 2.46451 -104.06000 869.03819
1385.0000 -108.85402 -103.29622 5.55780 2.49712 -103.64140 910.21410
1390.0000 -107.88522 -102.09000 5.79523 2.56790 -102.73273 980.86699
1395.0000 -108.16462 -102.17301 5.99161 2.60769 -102.22187 982.68284
1400.0000 -109.51999 -103.78921 5.73078 2.58238 -102.54680 995.58629
1405.0000 -107.74513 -103.85103 3.89410 2.45214 -104.21881 897.19824
1410.0000 -108.88351 -102.28807 6.59544 2.50216 -103.57664 952.38280
1415.0000 -107.63687 -101.64737 5.98950 2.59101 -102.43600 968.83663
1420.0000 -107.15213 -101.94925 5.20289 2.64386 -101.75747 977.36412
1425.0000 -107.74451 -102.09727 5.64724 2.63278 -101.89980 993.22848
1430.0000 -108.69593 -101.82104 6.87489 2.62992 -101.93647 983.88606
1435.0000 -105.86486 -100.73364 5.13122 2.68565 -101.22106 1040.05423
1440.0000 -106.77729 -101.66795 5.10934 2.70063 -101.02870 1032.89839
1445.0000 -107.10520 -100.60960 6.49561 2.72605 -100.70235 1094.95750
1450.0000 -107.16963 -101.18364 5.98600 2.72086 -100.76902 1119.85177
1455.0000 -109.24692 -103.52600 5.72092 2.61727 -102.09891 998.95278
1460.0000 -107.81028 -103.12443 4.68586 2.53500 -103.15512 940.43549
1465.0000 -109.61795 -104.11142 5.50653 2.43781 -104.40289 859.82379
1470.0000 -108.59986 -102.45616 6.14370 2.55268 -102.92809 953.32910
1475.0000 -108.05416 -103.03943 5.01473 2.59707 -102.35819 987.27679
1480.0000 -108.24264 -102.94467 5.29797 2.54747 -102.99502 944.41461
1485.0000 -109.50382 -103.38618 6.11765 2.54788 -102.98969 931.85825
1490.0000 -109.26924 -102.71544 6.55379 2.57283 -102.66946 977.31815
1495.0000 -106.59572 -99.52157 7.07415 2.66267 -101.51599 1033.20323
1500.0000 -107.27746 -101.15670 6.12076 2.70246 -101.00513 1071.33479
FREEZING PROCESS: loop number 7 T-loop= 955.00000000000000
main_MD> interactions number 7 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26867 -2.81465 0.55396
force_rgl> df(natom) 3.98240 -2.70778 0.23578
1505.0000 -107.84818 -103.48052 4.36766 2.63536 -101.86661 1066.34359
1510.0000 -107.99323 -102.74341 5.24982 2.54269 -103.05632 981.82128
1515.0000 -108.49835 -103.32198 5.17637 2.53023 -103.21634 954.71806
1520.0000 -109.91660 -104.22793 5.68867 2.48831 -103.75444 894.45179
1525.0000 -108.88217 -103.81721 5.06496 2.48957 -103.73836 899.95311
1530.0000 -109.22743 -103.31282 5.91461 2.48774 -103.76185 908.68725
1535.0000 -109.66794 -104.82515 4.84279 2.46858 -104.00782 916.74506
1540.0000 -109.10894 -102.66624 6.44270 2.49572 -103.65936 955.64541
1545.0000 -108.14050 -102.31174 5.82876 2.58811 -102.47330 966.50124
1550.0000 -109.09640 -103.34271 5.75369 2.50358 -103.55845 901.43247
1555.0000 -109.52877 -104.40274 5.12603 2.47237 -103.95912 871.99403
1560.0000 -109.34092 -102.73306 6.60786 2.49469 -103.67257 950.37870
1565.0000 -109.34848 -103.87652 5.47196 2.53223 -103.19069 951.65568
1570.0000 -107.81366 -102.98263 4.83103 2.55254 -102.92986 931.57589
1575.0000 -108.20063 -102.84784 5.35279 2.55659 -102.87795 914.72482
1580.0000 -107.49432 -100.96964 6.52468 2.63629 -101.85471 971.44921
1585.0000 -107.10654 -102.76966 4.33689 2.62249 -102.03191 1010.33075
1590.0000 -108.75506 -102.90438 5.85068 2.52591 -103.27179 905.34231
1595.0000 -107.87557 -102.16638 5.70920 2.59330 -102.40656 1011.35759
1600.0000 -108.81344 -103.11136 5.70209 2.56422 -102.77990 948.56270
1605.0000 -109.57899 -103.96318 5.61581 2.51613 -103.39734 942.52991
1610.0000 -109.59568 -104.95789 4.63779 2.47232 -103.95983 922.32134
1615.0000 -108.92493 -104.22240 4.70254 2.44017 -104.37253 856.07185
1620.0000 -110.18223 -104.63261 5.54962 2.44328 -104.33260 843.07145
1625.0000 -110.42828 -104.60319 5.82509 2.41269 -104.72537 883.39713
1630.0000 -110.20739 -104.50136 5.70603 2.44516 -104.30844 884.61485
1635.0000 -109.40683 -104.00789 5.39893 2.46400 -104.06657 865.58888
1640.0000 -109.83080 -104.35435 5.47645 2.43178 -104.48030 819.24268
1645.0000 -108.07635 -101.91766 6.15870 2.59578 -102.37482 1008.99307
1650.0000 -107.66238 -102.22587 5.43652 2.58829 -102.47095 951.92815
1655.0000 -109.36818 -103.07386 6.29432 2.57167 -102.68425 968.00665
1660.0000 -109.36323 -103.77016 5.59307 2.50857 -103.49442 906.27083
1665.0000 -108.13013 -103.38022 4.74991 2.51862 -103.36536 914.23930
1670.0000 -109.25282 -104.49144 4.76139 2.53693 -103.13025 889.13341
1675.0000 -109.41539 -104.74294 4.67245 2.35786 -105.42928 778.46161
1680.0000 -109.14924 -103.63592 5.51332 2.46089 -104.10650 886.16838
1685.0000 -110.85633 -104.97104 5.88528 2.48529 -103.79333 914.35721
1690.0000 -110.46785 -105.73433 4.73353 2.36288 -105.36478 835.70180
1695.0000 -109.39634 -104.16433 5.23200 2.39632 -104.93552 856.18941
1700.0000 -108.53719 -102.66945 5.86774 2.49730 -103.63905 920.78596
1705.0000 -107.63205 -102.19600 5.43605 2.63767 -101.83701 1022.42865
1710.0000 -107.63636 -100.81120 6.82517 2.68270 -101.25891 1058.66214
1715.0000 -108.09270 -102.50952 5.58317 2.65308 -101.63917 1048.53403
1720.0000 -106.24678 -100.30424 5.94254 2.75605 -100.31716 1144.26931
1725.0000 -108.19646 -102.47590 5.72056 2.69754 -101.06840 1050.42370
1730.0000 -107.89451 -102.82952 5.06499 2.59443 -102.39210 962.96656
1735.0000 -108.15461 -102.58730 5.56731 2.61063 -102.18415 979.63989
1740.0000 -108.25809 -103.96062 4.29747 2.57372 -102.65804 969.41234
1745.0000 -109.30985 -102.47745 6.83240 2.58204 -102.55122 1018.93910
1750.0000 -107.68259 -102.74902 4.93358 2.58344 -102.53314 990.00955
FREEZING PROCESS: loop number 8 T-loop= 930.00000000000000
main_MD> interactions number 8 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17518 -2.70278 -0.21672
force_rgl> df(natom) -1.01471 -1.06384 4.23735
1755.0000 -109.04219 -103.26494 5.77725 2.58334 -102.53442 945.95277
1760.0000 -110.42314 -105.73146 4.69167 2.43105 -104.48965 884.44970
1765.0000 -109.07437 -104.40958 4.66479 2.39248 -104.98476 860.35026
1770.0000 -109.65861 -103.75854 5.90007 2.50226 -103.57536 916.38452
1775.0000 -108.88018 -103.26408 5.61610 2.47945 -103.86829 906.00307
1780.0000 -106.83880 -101.75770 5.08110 2.57098 -102.69319 991.24841
1785.0000 -107.22231 -100.70685 6.51547 2.71776 -100.80882 1039.83967
1790.0000 -107.32442 -101.87173 5.45269 2.71147 -100.88952 1032.45101
1795.0000 -108.90284 -103.61061 5.29223 2.54688 -103.00254 892.38088
1800.0000 -108.77175 -103.03919 5.73256 2.50392 -103.55406 896.23803
1805.0000 -109.69106 -104.08950 5.60156 2.52994 -103.21999 927.39199
1810.0000 -107.48686 -102.34120 5.14566 2.52019 -103.34523 917.32009
1815.0000 -107.47639 -101.66601 5.81038 2.59557 -102.37753 989.29092
1820.0000 -108.84617 -103.41762 5.42855 2.60834 -102.21354 999.59547
1825.0000 -109.01126 -104.67514 4.33613 2.46865 -104.00691 879.90801
1830.0000 -109.99988 -105.36810 4.63178 2.39930 -104.89725 823.67009
1835.0000 -110.12731 -104.98940 5.13791 2.40565 -104.81568 865.29783
1840.0000 -108.81657 -103.57614 5.24043 2.40947 -104.76665 869.75151
1845.0000 -109.86711 -105.42403 4.44307 2.45428 -104.19136 870.50865
1850.0000 -108.96396 -102.82128 6.14268 2.47595 -103.91320 952.33507
1855.0000 -109.69999 -104.32942 5.37057 2.51541 -103.40658 963.44449
1860.0000 -111.44418 -105.37154 6.07264 2.39949 -104.89482 844.33599
1865.0000 -109.73052 -105.41748 4.31304 2.35576 -105.45616 796.58643
1870.0000 -109.09067 -104.18874 4.90193 2.45136 -104.22883 855.20828
1875.0000 -108.93416 -103.63314 5.30102 2.47134 -103.97237 868.25542
1880.0000 -108.31683 -103.19715 5.11968 2.53812 -103.11506 920.56652
1885.0000 -108.60444 -102.15473 6.44971 2.64594 -101.73085 1015.96106
1890.0000 -107.26048 -101.84398 5.41650 2.63079 -101.92529 966.64718
1895.0000 -108.51673 -102.61817 5.89856 2.66320 -101.50919 1008.14612
1900.0000 -108.63589 -102.69930 5.93659 2.52253 -103.31519 894.06260
1905.0000 -108.07729 -100.97865 7.09864 2.60014 -102.31876 982.18269
1910.0000 -108.19199 -103.02071 5.17128 2.63320 -101.89434 1037.06973
1915.0000 -109.24804 -104.27451 4.97353 2.46756 -104.02083 910.69323
1920.0000 -109.08241 -103.03683 6.04558 2.50135 -103.58708 930.30068
1925.0000 -108.76232 -103.31129 5.45103 2.56878 -102.72137 944.68988
1930.0000 -109.24200 -103.80581 5.43618 2.49618 -103.65344 926.69713
1935.0000 -109.37530 -103.61195 5.76335 2.52649 -103.26432 956.34942
1940.0000 -108.88014 -104.06227 4.81787 2.47730 -103.89590 900.39484
1945.0000 -108.90225 -104.04853 4.85372 2.49169 -103.71104 927.26561
1950.0000 -109.78086 -103.83880 5.94206 2.50014 -103.60267 891.88231
1955.0000 -108.30414 -102.65582 5.64832 2.50980 -103.47865 927.78786
1960.0000 -107.91715 -100.50836 7.40879 2.63054 -101.92852 1020.83206
1965.0000 -106.16447 -101.16427 5.00020 2.71771 -100.80944 1074.93237
1970.0000 -107.99960 -102.46770 5.53190 2.67945 -101.30056 1019.11621
1975.0000 -108.57597 -102.29649 6.27948 2.58285 -102.54074 957.91988
1980.0000 -109.35859 -102.83419 6.52439 2.50142 -103.58622 913.49137
1985.0000 -107.81514 -102.49008 5.32507 2.60707 -102.22981 1002.01469
1990.0000 -108.31959 -103.41558 4.90401 2.53185 -103.19550 911.35978
1995.0000 -107.57811 -102.17960 5.39851 2.54920 -102.97273 973.31915
2000.0000 -109.31614 -103.85693 5.45921 2.53528 -103.15147 906.43478
FREEZING PROCESS: loop number 9 T-loop= 905.00000000000000
main_MD> interactions number 9 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12974 1.58969 2.83646
force_rgl> df(natom) -0.03172 -2.16324 1.89865
2005.0000 -109.91292 -104.66768 5.24525 2.42347 -104.58696 868.75027
2010.0000 -110.59927 -105.22981 5.36946 2.43833 -104.39616 871.28717
2015.0000 -108.98431 -103.76188 5.22243 2.35463 -105.47071 805.63263
2020.0000 -109.43343 -103.93822 5.49521 2.50914 -103.48703 919.99508
2025.0000 -109.36523 -104.09560 5.26963 2.48227 -103.83206 889.74426
2030.0000 -109.85535 -104.69509 5.16025 2.48950 -103.73927 911.25922
2035.0000 -108.89596 -103.74010 5.15586 2.46424 -104.06345 855.88338
2040.0000 -107.91521 -103.51118 4.40403 2.52020 -103.34509 882.40811
2045.0000 -108.53068 -103.59623 4.93445 2.45423 -104.19198 851.93310
2050.0000 -110.28472 -104.76645 5.51827 2.46704 -104.02759 855.59225
2055.0000 -109.60041 -103.90946 5.69095 2.49099 -103.72010 886.61532
2060.0000 -108.93897 -101.91465 7.02432 2.52514 -103.28166 938.96957
2065.0000 -108.79499 -103.22696 5.56803 2.59162 -102.42814 1008.15082
2070.0000 -109.29952 -103.40078 5.89874 2.49683 -103.64507 891.33096
2075.0000 -108.75958 -102.38330 6.37628 2.54284 -103.05446 949.51102
2080.0000 -109.89539 -103.72750 6.16790 2.55276 -102.92705 975.05219
2085.0000 -109.02723 -103.34019 5.68704 2.50379 -103.55582 942.43109
2090.0000 -108.87794 -102.51569 6.36225 2.53505 -103.15439 957.36561
2095.0000 -109.26860 -103.45645 5.81215 2.56482 -102.77226 969.85296
2100.0000 -108.60536 -103.63483 4.97053 2.54695 -103.00163 935.81318
2105.0000 -108.33117 -103.78063 4.55054 2.50948 -103.48275 897.21381
2110.0000 -108.51266 -104.42383 4.08883 2.47518 -103.92310 904.72778
2115.0000 -109.71379 -104.87933 4.83446 2.44215 -104.34715 855.38939
2120.0000 -110.34334 -104.30878 6.03456 2.47846 -103.88101 905.87583
2125.0000 -109.72760 -105.02030 4.70729 2.40784 -104.78760 859.56921
2130.0000 -110.34546 -104.42965 5.91581 2.43324 -104.46149 900.77841
2135.0000 -109.81717 -104.84076 4.97640 2.45333 -104.20361 882.05912
2140.0000 -108.80413 -103.94589 4.85825 2.49615 -103.65380 874.22725
2145.0000 -111.58851 -106.85568 4.73283 2.34901 -105.54287 783.49087
2150.0000 -108.75468 -103.54061 5.21407 2.41365 -104.71296 863.04635
2155.0000 -107.84601 -101.83726 6.00875 2.53480 -103.15762 925.52951
2160.0000 -108.86549 -102.77268 6.09281 2.63259 -101.90215 992.54533
2165.0000 -107.74586 -102.09915 5.64671 2.58317 -102.53669 994.78064
2170.0000 -108.01379 -101.67593 6.33786 2.65142 -101.66040 1009.22778
2175.0000 -110.24961 -104.71393 5.53567 2.50841 -103.49641 933.07739
2180.0000 -108.83346 -103.28115 5.55231 2.45977 -104.12089 892.71341
2185.0000 -108.66102 -103.72751 4.93350 2.56238 -102.80355 937.87782
2190.0000 -108.70948 -103.50131 5.20817 2.49217 -103.70500 954.99535
2195.0000 -109.10211 -103.69400 5.40811 2.49159 -103.71237 908.67720
2200.0000 -108.45398 -103.19329 5.26070 2.49686 -103.64474 869.66230
2205.0000 -109.67459 -103.81891 5.85568 2.51482 -103.41417 905.41043
2210.0000 -109.46196 -104.22157 5.24039 2.49039 -103.72785 882.79286
2215.0000 -109.05094 -104.15962 4.89132 2.50705 -103.51389 929.39858
2220.0000 -107.84751 -102.70870 5.13881 2.53558 -103.14763 898.74817
2225.0000 -108.24463 -102.60933 5.63530 2.53151 -103.19989 927.49704
2230.0000 -107.19224 -101.61075 5.58149 2.61587 -102.11684 953.18638
2235.0000 -108.93668 -101.35171 7.58496 2.63962 -101.81197 990.32659
2240.0000 -109.66713 -102.54518 7.12195 2.58154 -102.55754 966.15878
2245.0000 -109.29092 -103.36129 5.92963 2.55114 -102.94792 966.27198
2250.0000 -110.02328 -103.53137 6.49190 2.46001 -104.11780 907.36717
FREEZING PROCESS: loop number 10 T-loop= 880.00000000000000
main_MD> interactions number 10 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.41521 -4.04061 -0.66978
force_rgl> df(natom) 1.01874 0.97549 -1.82462
2255.0000 -108.96944 -103.47309 5.49635 2.50409 -103.55193 938.60408
2260.0000 -109.37064 -103.61001 5.76063 2.48099 -103.84854 922.43060
2265.0000 -109.63559 -105.33606 4.29953 2.43701 -104.41309 844.14431
2270.0000 -108.37324 -103.68258 4.69066 2.39173 -104.99446 822.59992
2275.0000 -109.53123 -103.85537 5.67587 2.48276 -103.82581 910.18613
2280.0000 -108.99711 -104.03962 4.95749 2.47466 -103.92973 885.83387
2285.0000 -109.38702 -104.31742 5.06960 2.41562 -104.68776 840.97404
2290.0000 -109.93753 -105.08684 4.85069 2.44308 -104.33512 858.76117
2295.0000 -109.62068 -104.49561 5.12507 2.41348 -104.71514 853.64547
2300.0000 -110.24797 -105.09923 5.14874 2.38547 -105.07475 843.22801
2305.0000 -110.69423 -105.76181 4.93242 2.40280 -104.85224 839.87683
2310.0000 -109.40064 -104.49107 4.90957 2.39172 -104.99459 809.64652
2315.0000 -109.12812 -104.24043 4.88769 2.42475 -104.57054 844.08081
2320.0000 -109.92150 -105.17841 4.74309 2.42450 -104.57370 850.13130
2325.0000 -110.17964 -105.00794 5.17170 2.39363 -104.97001 817.10680
2330.0000 -108.69022 -103.60066 5.08957 2.39744 -104.92106 860.07278
2335.0000 -108.82273 -104.01756 4.80518 2.48095 -103.84898 907.17753
2340.0000 -108.03644 -103.06001 4.97644 2.45647 -104.16332 855.17752
2345.0000 -107.95854 -102.07366 5.88488 2.56630 -102.75328 945.42518
2350.0000 -108.49508 -103.74349 4.75159 2.51647 -103.39291 900.97428
2355.0000 -108.17824 -102.98773 5.19051 2.50575 -103.53059 880.98756
2360.0000 -109.32795 -104.55233 4.77561 2.46699 -104.02819 882.57793
2365.0000 -108.87881 -104.07357 4.80524 2.45375 -104.19818 828.07333
2370.0000 -107.60648 -102.43417 5.17231 2.56633 -102.75290 951.42929
2375.0000 -108.77028 -103.24217 5.52810 2.52176 -103.32501 927.81656
2380.0000 -109.82933 -103.82659 6.00274 2.52123 -103.33185 915.07235
2385.0000 -108.80197 -104.09333 4.70864 2.45429 -104.19129 863.64570
2390.0000 -110.70849 -105.62377 5.08472 2.36552 -105.33095 789.10575
2395.0000 -108.95320 -103.98917 4.96403 2.42498 -104.56750 871.68945
2400.0000 -109.74105 -105.02561 4.71544 2.37849 -105.16433 812.57182
2405.0000 -109.06223 -103.00217 6.06006 2.46484 -104.05582 855.08755
2410.0000 -108.98103 -103.65948 5.32156 2.57493 -102.64241 951.81635
2415.0000 -109.68310 -104.84538 4.83772 2.41192 -104.73524 861.05184
2420.0000 -109.39644 -104.06691 5.32953 2.44964 -104.25097 858.13963
2425.0000 -109.46021 -103.73609 5.72413 2.55454 -102.90422 960.87763
2430.0000 -109.47556 -104.48604 4.98952 2.47246 -103.95795 900.20341
2435.0000 -108.56908 -102.00216 6.56692 2.57792 -102.60411 999.86103
2440.0000 -109.84408 -103.20410 6.63998 2.56648 -102.75087 967.90400
2445.0000 -108.97553 -102.81512 6.16041 2.54026 -103.08759 903.62335
2450.0000 -108.10499 -103.83011 4.27488 2.54534 -103.02230 962.73364
2455.0000 -107.84015 -101.49757 6.34258 2.52863 -103.23681 917.00423
2460.0000 -107.36766 -100.91594 6.45172 2.65660 -101.59396 986.74425
2465.0000 -108.33253 -102.05740 6.27513 2.67069 -101.41313 1041.51782
2470.0000 -108.90316 -103.57213 5.33104 2.53093 -103.20733 960.73102
2475.0000 -108.87227 -104.04219 4.83007 2.46604 -104.04040 881.05760
2480.0000 -108.72459 -104.13560 4.58899 2.46183 -104.09447 883.64673
2485.0000 -109.73029 -104.44986 5.28044 2.42562 -104.55930 855.44556
2490.0000 -108.80093 -103.41893 5.38199 2.47935 -103.86958 870.42911
2495.0000 -109.94137 -104.30551 5.63586 2.49469 -103.67258 913.72945
2500.0000 -110.33620 -103.36901 6.96719 2.51652 -103.39229 943.04290
FREEZING PROCESS: loop number 11 T-loop= 855.00000000000000
main_MD> interactions number 11 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.56270 -0.09634 1.47234
force_rgl> df(natom) 1.71890 -5.46419 1.72133
2505.0000 -108.44038 -102.57226 5.86811 2.55262 -102.92882 960.77725
2510.0000 -108.47891 -103.17166 5.30725 2.56054 -102.82725 954.12804
2515.0000 -109.91477 -104.77618 5.13859 2.44497 -104.31093 869.27524
2520.0000 -109.28590 -103.61761 5.66829 2.47812 -103.88535 884.18902
2525.0000 -108.92317 -103.76224 5.16093 2.47058 -103.98211 876.64597
2530.0000 -108.78529 -104.12945 4.65583 2.49385 -103.68341 909.84557
2535.0000 -109.64395 -104.39722 5.24673 2.47840 -103.88170 870.63937
2540.0000 -108.92021 -104.05640 4.86381 2.46777 -104.01820 885.28268
2545.0000 -108.91801 -104.44288 4.47513 2.45268 -104.21190 903.10286
2550.0000 -110.74598 -104.76370 5.98228 2.43310 -104.46336 857.35659
2555.0000 -109.91461 -104.49851 5.41610 2.41880 -104.64685 849.40094
2560.0000 -110.31753 -105.66848 4.64905 2.38865 -105.03400 830.12291
2565.0000 -109.81897 -106.46175 3.35722 2.30309 -106.13244 781.88594
2570.0000 -109.40046 -105.40253 3.99792 2.35266 -105.49601 791.54645
2575.0000 -109.93749 -105.39209 4.54541 2.35854 -105.42045 789.87161
2580.0000 -109.17585 -104.73272 4.44312 2.45227 -104.21722 867.31841
2585.0000 -109.73525 -104.95791 4.77734 2.39365 -104.96972 798.90924
2590.0000 -110.55466 -106.82509 3.72958 2.34753 -105.56181 785.64193
2595.0000 -110.08895 -106.22298 3.86597 2.29851 -106.19119 744.55271
2600.0000 -109.89636 -105.87195 4.02441 2.23768 -106.97219 669.09129
2605.0000 -109.24272 -103.54771 5.69501 2.42434 -104.57574 855.94579
2610.0000 -108.98620 -103.36591 5.62028 2.47485 -103.92734 884.10040
2615.0000 -107.75985 -103.32303 4.43682 2.53784 -103.11860 914.92216
2620.0000 -108.95887 -103.42435 5.53451 2.51124 -103.46012 895.03114
2625.0000 -107.71496 -102.34478 5.37018 2.51617 -103.39679 910.61260
2630.0000 -108.43223 -102.92381 5.50842 2.59075 -102.43940 980.45984
2635.0000 -109.34194 -103.85753 5.48441 2.50137 -103.58680 932.13846
2640.0000 -108.85694 -103.07652 5.78041 2.49790 -103.63138 902.65040
2645.0000 -110.02517 -104.44273 5.58244 2.43254 -104.47049 829.75464
2650.0000 -110.28843 -106.18971 4.09872 2.36479 -105.34023 797.36530
2655.0000 -110.21190 -104.18160 6.03030 2.41242 -104.72878 847.06168
2660.0000 -107.79758 -102.29405 5.50352 2.52469 -103.28740 927.64320
2665.0000 -108.92266 -104.26052 4.66214 2.53449 -103.16168 932.48328
2670.0000 -108.22108 -103.55881 4.66228 2.45580 -104.17183 879.56682
2675.0000 -108.70600 -104.66804 4.03796 2.46595 -104.04162 885.12419
2680.0000 -108.80065 -103.91838 4.88227 2.45137 -104.22869 864.57679
2685.0000 -107.74110 -102.01572 5.72538 2.53084 -103.20844 923.14655
2690.0000 -109.72463 -102.51260 7.21204 2.62999 -101.93564 1016.40847
2695.0000 -108.66300 -103.08729 5.57571 2.52420 -103.29373 908.09656
2700.0000 -108.20169 -103.49985 4.70184 2.52413 -103.29463 915.19255
2705.0000 -108.98998 -103.66493 5.32504 2.48580 -103.78674 892.82843
2710.0000 -110.60589 -105.23571 5.37018 2.42012 -104.62997 848.01569
2715.0000 -110.87049 -105.79808 5.07241 2.32367 -105.86823 748.28599
2720.0000 -109.38939 -104.05080 5.33859 2.39803 -104.91355 842.54657
2725.0000 -110.33098 -104.68801 5.64297 2.46961 -103.99454 903.73408
2730.0000 -110.00328 -104.32107 5.68221 2.42461 -104.57231 866.33743
2735.0000 -108.49531 -103.47180 5.02351 2.47134 -103.97238 918.43236
2740.0000 -107.28558 -102.55754 4.72805 2.49468 -103.67277 895.90677
2745.0000 -109.69544 -104.61569 5.07975 2.50780 -103.50424 899.20823
2750.0000 -108.91448 -104.48519 4.42930 2.39480 -104.95501 843.00963
FREEZING PROCESS: loop number 12 T-loop= 830.00000000000000
main_MD> interactions number 12 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46061 3.45694 -1.05864
force_rgl> df(natom) 3.32095 -0.01849 -5.00710
2755.0000 -109.99680 -104.69439 5.30241 2.38969 -105.02067 805.22906
2760.0000 -109.64787 -104.66432 4.98355 2.41697 -104.67039 840.93950
2765.0000 -110.05323 -105.56471 4.48852 2.38375 -105.09689 836.78044
2770.0000 -111.57581 -106.87958 4.69623 2.30460 -106.11303 808.73613
2775.0000 -110.40549 -105.92970 4.47579 2.30133 -106.15494 772.89117
2780.0000 -109.26566 -103.23086 6.03480 2.41299 -104.72152 846.69463
2785.0000 -110.10010 -105.44579 4.65431 2.39865 -104.90553 817.66217
2790.0000 -110.84224 -106.63166 4.21058 2.29620 -106.22089 751.04346
2795.0000 -110.75973 -106.17220 4.58753 2.22266 -107.16497 687.33346
2800.0000 -110.09027 -105.30412 4.78616 2.33416 -105.73353 818.83715
2805.0000 -109.67595 -105.12899 4.54696 2.35557 -105.45866 784.13497
2810.0000 -108.66609 -103.49148 5.17461 2.44444 -104.31766 889.61784
2815.0000 -109.62976 -104.95865 4.67112 2.40627 -104.80769 768.62155
2820.0000 -110.67066 -105.64404 5.02662 2.36361 -105.35547 789.47623
2825.0000 -109.97451 -105.54657 4.42793 2.37785 -105.17257 827.80957
2830.0000 -110.12662 -104.95498 5.17163 2.39794 -104.91474 818.39318
2835.0000 -108.44267 -104.20108 4.24159 2.46100 -104.10512 869.47353
2840.0000 -110.67198 -106.26606 4.40592 2.36664 -105.31659 787.41027
2845.0000 -110.03839 -105.03417 5.00422 2.29000 -106.30041 776.04557
2850.0000 -110.46124 -104.98132 5.47991 2.37466 -105.21353 800.29146
2855.0000 -110.03193 -104.97429 5.05764 2.33720 -105.69445 791.87681
2860.0000 -109.98920 -104.86668 5.12252 2.43876 -104.39069 883.94914
2865.0000 -110.24447 -106.08919 4.15528 2.34822 -105.55303 802.18866
2870.0000 -109.43535 -106.16782 3.26753 2.33265 -105.75285 813.14927
2875.0000 -111.24492 -106.23653 5.00839 2.33547 -105.71667 771.22095
2880.0000 -110.27883 -106.04894 4.22988 2.30319 -106.13113 753.22738
2885.0000 -110.20369 -105.43360 4.77009 2.37230 -105.24390 767.15877
2890.0000 -109.24676 -103.97726 5.26949 2.39749 -104.92053 825.76685
2895.0000 -108.27778 -103.43153 4.84625 2.48299 -103.82281 903.77036
2900.0000 -109.75828 -103.71965 6.03863 2.49047 -103.72673 898.05177
2905.0000 -109.96777 -105.37156 4.59621 2.37315 -105.23298 837.18876
2910.0000 -109.27229 -104.01039 5.26189 2.40947 -104.76663 856.54578
2915.0000 -109.10691 -104.40135 4.70556 2.44652 -104.29103 850.03166
2920.0000 -110.66702 -105.14442 5.52259 2.41852 -104.65053 853.32558
2925.0000 -109.44813 -105.00541 4.44272 2.41186 -104.73604 852.37781
2930.0000 -109.40047 -103.46041 5.94006 2.48891 -103.74680 895.09183
2935.0000 -110.36763 -105.30670 5.06093 2.42512 -104.56574 844.64202
2940.0000 -108.92124 -104.43503 4.48621 2.39246 -104.98501 819.52377
2945.0000 -110.25308 -105.96002 4.29306 2.38809 -105.04109 832.87433
2950.0000 -108.75244 -103.94727 4.80516 2.40817 -104.78331 813.04266
2955.0000 -109.12760 -103.60248 5.52512 2.50378 -103.55591 932.68325
2960.0000 -109.41386 -104.11570 5.29816 2.42441 -104.57484 820.79900
2965.0000 -111.01660 -106.09188 4.92472 2.38379 -105.09639 821.37366
2970.0000 -111.15441 -106.70621 4.44819 2.30461 -106.11293 801.61370
2975.0000 -110.56381 -106.09066 4.47315 2.30457 -106.11341 750.87088
2980.0000 -108.74337 -104.20678 4.53659 2.38285 -105.10838 825.02515
2985.0000 -110.72808 -105.58539 5.14269 2.41393 -104.70941 863.26444
2990.0000 -110.54007 -106.67347 3.86660 2.31623 -105.96373 791.49971
2995.0000 -110.13734 -106.09384 4.04350 2.36322 -105.36048 814.67736
3000.0000 -109.74106 -105.54080 4.20026 2.29404 -106.24862 749.02698
FREEZING PROCESS: loop number 13 T-loop= 805.00000000000000
main_MD> interactions number 13 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20334 0.73319 1.04096
force_rgl> df(natom) -0.03840 0.65909 -1.00419
3005.0000 -110.46266 -105.99392 4.46874 2.31003 -106.04327 741.78082
3010.0000 -110.72762 -105.52409 5.20353 2.36208 -105.37505 798.12993
3015.0000 -109.20435 -105.15470 4.04965 2.32730 -105.82160 773.17230
3020.0000 -108.33352 -103.30178 5.03174 2.43129 -104.48653 840.15865
3025.0000 -108.68313 -103.31002 5.37311 2.51704 -103.38569 900.36039
3030.0000 -110.73537 -104.61706 6.11831 2.41936 -104.63968 868.76862
3035.0000 -110.27963 -105.58857 4.69106 2.34274 -105.62337 792.50236
3040.0000 -109.37214 -104.13249 5.23965 2.37433 -105.21786 793.83204
3045.0000 -111.65744 -105.27659 6.38085 2.43022 -104.50033 829.21487
3050.0000 -109.75369 -104.75255 5.00114 2.40951 -104.76616 837.98254
3055.0000 -110.54471 -104.54428 6.00043 2.49439 -103.67641 928.68508
3060.0000 -110.40345 -105.55879 4.84466 2.39014 -105.01488 843.98683
3065.0000 -111.16752 -106.55005 4.61747 2.36354 -105.35629 828.85562
3070.0000 -109.62530 -105.06934 4.55596 2.30517 -106.10572 785.78910
3075.0000 -109.35593 -104.90401 4.45191 2.46025 -104.11476 872.36878
3080.0000 -110.37835 -105.12755 5.25080 2.39565 -104.94405 831.70736
3085.0000 -110.25083 -105.82390 4.42693 2.40726 -104.79503 841.64394
3090.0000 -110.05987 -105.66624 4.39363 2.29976 -106.17519 735.44175
3095.0000 -110.75119 -105.39751 5.35368 2.31113 -106.02919 757.49058
3100.0000 -111.45101 -107.41024 4.04077 2.30289 -106.13502 770.04412
3105.0000 -109.53739 -104.99939 4.53800 2.29156 -106.28038 732.27969
3110.0000 -110.23328 -106.11096 4.12232 2.31879 -105.93084 750.63374
3115.0000 -110.38241 -106.03549 4.34692 2.28728 -106.33543 716.94883
3120.0000 -111.30612 -105.41893 5.88719 2.33895 -105.67207 792.72313
3125.0000 -109.94743 -104.34376 5.60367 2.45139 -104.22849 893.67197
3130.0000 -109.11798 -104.06032 5.05766 2.43207 -104.47650 857.87953
3135.0000 -109.31884 -104.04408 5.27477 2.44555 -104.30343 881.15374
3140.0000 -109.29751 -104.53457 4.76294 2.44812 -104.27043 870.33454
3145.0000 -109.91674 -105.84858 4.06817 2.44905 -104.25852 889.70189
3150.0000 -111.40612 -105.70131 5.70481 2.37809 -105.16959 833.51275
3155.0000 -111.31967 -106.36995 4.94973 2.29959 -106.17737 769.44235
3160.0000 -110.78402 -105.82589 4.95813 2.29596 -106.22398 771.54540
3165.0000 -110.45227 -106.14486 4.30741 2.33602 -105.70958 796.99130
3170.0000 -110.31166 -104.79530 5.51636 2.39375 -104.96847 843.63725
3175.0000 -108.97418 -104.10402 4.87016 2.42751 -104.53506 843.15307
3180.0000 -109.72879 -104.91630 4.81249 2.40713 -104.79673 829.28838
3185.0000 -109.49373 -104.15191 5.34182 2.43207 -104.47651 852.18819
3190.0000 -109.38894 -103.68959 5.69935 2.45781 -104.14612 893.17284
3195.0000 -109.03405 -104.50132 4.53272 2.45370 -104.19884 817.24984
3200.0000 -108.21136 -103.79719 4.41417 2.40138 -104.87051 802.81638
3205.0000 -109.92589 -105.09628 4.82960 2.41747 -104.66400 813.48254
3210.0000 -109.74144 -104.39181 5.34963 2.43888 -104.38909 874.59148
3215.0000 -109.91821 -105.41383 4.50438 2.37412 -105.22054 798.92485
3220.0000 -109.04257 -104.84748 4.19509 2.37991 -105.14611 818.88259
3225.0000 -109.68777 -104.52534 5.16243 2.38994 -105.01745 798.04411
3230.0000 -111.41179 -106.95636 4.45543 2.36238 -105.37125 814.25845
3235.0000 -109.85771 -105.49374 4.36397 2.32061 -105.90741 794.02936
3240.0000 -110.14429 -105.70888 4.43542 2.38656 -105.06075 786.64835
3245.0000 -109.57384 -104.09957 5.47427 2.37488 -105.21068 777.70316
3250.0000 -110.18692 -105.95817 4.22875 2.36333 -105.35902 805.96734
FREEZING PROCESS: loop number 14 T-loop= 780.00000000000000
main_MD> interactions number 14 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29130 -0.22463 -0.89831
force_rgl> df(natom) -2.96490 -1.72929 0.46761
3255.0000 -108.62220 -104.04960 4.57261 2.37080 -105.26318 827.87897
3260.0000 -111.15663 -104.47147 6.68516 2.36394 -105.35124 815.65664
3265.0000 -111.09658 -106.59887 4.49771 2.34334 -105.61566 801.74231
3270.0000 -111.28890 -107.18387 4.10503 2.26731 -106.59170 702.92808
3275.0000 -110.53044 -106.15239 4.37804 2.25783 -106.71352 710.22811
3280.0000 -109.74988 -105.00709 4.74279 2.35042 -105.52477 796.24372
3285.0000 -110.23188 -105.56087 4.67101 2.37338 -105.22995 808.21517
3290.0000 -110.23401 -105.56266 4.67134 2.37505 -105.20861 848.31699
3295.0000 -109.99588 -104.82751 5.16838 2.37234 -105.24337 867.96557
3300.0000 -110.54462 -105.19165 5.35297 2.37880 -105.16040 814.99010
3305.0000 -110.02262 -105.83429 4.18832 2.36060 -105.39411 795.00970
3310.0000 -108.81851 -105.22135 3.59717 2.35821 -105.42471 819.55890
3315.0000 -108.89352 -104.21780 4.67572 2.46710 -104.02678 859.95702
3320.0000 -109.89652 -105.78665 4.10988 2.38376 -105.09668 809.19791
3325.0000 -110.22001 -106.14991 4.07010 2.29909 -106.18378 749.26190
3330.0000 -109.83152 -105.52368 4.30784 2.32862 -105.80467 771.36504
3335.0000 -110.38784 -105.91719 4.47065 2.35440 -105.47369 795.06667
3340.0000 -110.89966 -105.51224 5.38742 2.33941 -105.66611 797.99923
3345.0000 -110.28311 -104.28224 6.00087 2.41711 -104.66864 857.01621
3350.0000 -111.20779 -106.24136 4.96643 2.34942 -105.53761 793.35768
3355.0000 -110.87110 -106.15648 4.71462 2.25430 -106.75881 706.19359
3360.0000 -110.31872 -105.46689 4.85183 2.37573 -105.19986 829.76118
3365.0000 -111.18628 -107.24308 3.94320 2.26757 -106.58843 782.41945
3370.0000 -111.39738 -106.87235 4.52503 2.27190 -106.53282 722.10614
3375.0000 -110.91590 -106.43271 4.48319 2.24416 -106.88891 712.71569
3380.0000 -110.23386 -105.86278 4.37108 2.32685 -105.82735 796.87087
3385.0000 -110.02700 -106.03150 3.99549 2.34494 -105.59509 817.28121
3390.0000 -110.52115 -105.73059 4.79057 2.33730 -105.69325 801.08171
3395.0000 -111.50103 -107.22023 4.28080 2.28135 -106.41149 763.88593
3400.0000 -110.75558 -106.06017 4.69541 2.22590 -107.12336 698.48031
3405.0000 -110.91150 -106.07152 4.83998 2.28737 -106.33428 770.67105
3410.0000 -110.02878 -104.84408 5.18470 2.32435 -105.85946 808.48687
3415.0000 -109.32294 -104.88978 4.43316 2.41891 -104.64549 856.72714
3420.0000 -110.65762 -105.50912 5.14850 2.38186 -105.12110 822.57540
3425.0000 -110.25065 -106.27055 3.98010 2.36223 -105.37316 805.73497
3430.0000 -111.00029 -106.58530 4.41498 2.26561 -106.61359 724.49225
3435.0000 -108.87343 -104.77793 4.09550 2.30464 -106.11247 758.61493
3440.0000 -109.91284 -104.16786 5.74498 2.45301 -104.20764 889.85237
3445.0000 -110.49383 -106.07348 4.42035 2.36801 -105.29893 791.16142
3450.0000 -110.44645 -106.49924 3.94721 2.29267 -106.26622 740.20942
3455.0000 -111.04002 -107.24902 3.79100 2.21155 -107.30763 662.15954
3460.0000 -110.79695 -105.89062 4.90633 2.26571 -106.61226 726.32246
3465.0000 -110.43256 -106.58444 3.84811 2.28543 -106.35913 747.09808
3470.0000 -109.84015 -106.24828 3.59187 2.29552 -106.22964 759.71707
3475.0000 -110.77491 -105.51337 5.26154 2.27408 -106.50480 714.84662
3480.0000 -110.39563 -105.24550 5.15013 2.39278 -104.98091 812.60350
3485.0000 -110.30616 -106.50549 3.80067 2.29628 -106.21985 725.11726
3490.0000 -110.55457 -106.23526 4.31931 2.29537 -106.23151 724.92316
3495.0000 -110.61046 -106.35213 4.25833 2.31466 -105.98386 777.12962
3500.0000 -110.92931 -106.31286 4.61644 2.31645 -105.96082 777.99438
FREEZING PROCESS: loop number 15 T-loop= 755.00000000000000
main_MD> interactions number 15 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08266 2.58563 1.19608
force_rgl> df(natom) 0.17356 -2.19504 -1.86755
3505.0000 -111.14797 -106.71142 4.43655 2.30047 -106.16602 773.83895
3510.0000 -110.85317 -106.46312 4.39005 2.23699 -106.98096 695.87980
3515.0000 -110.79869 -106.53029 4.26839 2.30153 -106.15240 765.63418
3520.0000 -110.49557 -105.90379 4.59178 2.30931 -106.05254 750.61405
3525.0000 -111.16753 -106.00842 5.15912 2.33806 -105.68350 802.40927
3530.0000 -111.69671 -107.79049 3.90621 2.25336 -106.77080 738.26020
3535.0000 -111.45511 -107.41512 4.03998 2.17335 -107.79807 670.61160
3540.0000 -111.74678 -107.28019 4.46659 2.22867 -107.08783 696.75616
3545.0000 -111.13272 -106.78897 4.34375 2.21164 -107.30641 705.84733
3550.0000 -111.55413 -106.73530 4.81883 2.24292 -106.90490 740.61728
3555.0000 -111.20454 -107.17466 4.02988 2.23953 -106.94837 716.82279
3560.0000 -111.07920 -106.19226 4.88694 2.31458 -105.98485 777.32976
3565.0000 -110.46537 -106.48348 3.98189 2.26242 -106.65459 733.31386
3570.0000 -111.39663 -107.38374 4.01289 2.23934 -106.95085 711.71155
3575.0000 -111.38509 -106.87657 4.50852 2.20432 -107.40043 695.22765
3580.0000 -110.34019 -106.22148 4.11871 2.28432 -106.37334 729.72666
3585.0000 -111.61805 -108.41309 3.20497 2.21774 -107.22815 651.64171
3590.0000 -110.87784 -107.35039 3.52745 2.18383 -107.66355 667.45212
3595.0000 -111.80868 -107.47229 4.33638 2.17369 -107.79363 619.07994
3600.0000 -111.35634 -107.25387 4.10248 2.24011 -106.94097 710.42374
3605.0000 -111.26185 -106.69077 4.57108 2.24498 -106.87844 699.64055
3610.0000 -111.75830 -107.13793 4.62038 2.25880 -106.70101 744.15476
3615.0000 -109.35961 -105.76498 3.59464 2.24531 -106.87414 721.76295
3620.0000 -110.97977 -106.07922 4.90055 2.32239 -105.88466 746.62332
3625.0000 -109.77312 -105.60864 4.16448 2.33288 -105.74997 772.21627
3630.0000 -109.85651 -105.44205 4.41445 2.36026 -105.39838 802.20734
3635.0000 -110.86994 -107.44755 3.42239 2.28250 -106.39679 742.40013
3640.0000 -111.20608 -106.39907 4.80701 2.26520 -106.61884 748.92526
3645.0000 -111.54209 -106.07536 5.46674 2.27188 -106.53307 754.48985
3650.0000 -111.76802 -107.43856 4.32946 2.26615 -106.60669 729.28880
3655.0000 -111.32464 -106.77820 4.54644 2.22305 -107.15994 708.54665
3660.0000 -110.72972 -107.01314 3.71658 2.26078 -106.67559 749.22514
3665.0000 -110.77975 -106.21606 4.56369 2.25006 -106.81316 717.14721
3670.0000 -111.04813 -106.38352 4.66461 2.32491 -105.85230 779.79266
3675.0000 -110.92812 -105.84129 5.08683 2.32036 -105.91070 785.94632
3680.0000 -111.70610 -106.63076 5.07534 2.28907 -106.31233 769.43083
3685.0000 -111.32544 -107.45568 3.86976 2.26428 -106.63061 760.30378
3690.0000 -110.29418 -106.74958 3.54460 2.22491 -107.13605 678.69243
3695.0000 -110.39116 -105.44372 4.94744 2.31952 -105.92142 787.55260
3700.0000 -109.54737 -105.00197 4.54541 2.38452 -105.08693 829.59479
3705.0000 -109.21023 -105.11132 4.09891 2.39082 -105.00615 858.29137
3710.0000 -110.92824 -105.98196 4.94628 2.34786 -105.55766 818.60932
3715.0000 -110.96522 -106.54736 4.41786 2.28125 -106.41281 746.55391
3720.0000 -111.77438 -107.11326 4.66112 2.25150 -106.79472 723.65037
3725.0000 -110.05637 -105.65441 4.40196 2.33198 -105.76152 753.67175
3730.0000 -110.13264 -105.68084 4.45181 2.33832 -105.68015 794.70701
3735.0000 -110.05651 -105.45816 4.59836 2.32720 -105.82292 792.80710
3740.0000 -109.54553 -104.54916 4.99636 2.36619 -105.32236 790.49696
3745.0000 -110.43092 -106.16799 4.26293 2.33496 -105.72326 783.00088
3750.0000 -111.06271 -106.49384 4.56887 2.27819 -106.45204 763.31909
FREEZING PROCESS: loop number 16 T-loop= 730.00000000000000
main_MD> interactions number 16 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57240 -0.83357 -0.67296
force_rgl> df(natom) 0.07583 -0.29316 4.51113
3755.0000 -111.77284 -107.20649 4.56635 2.28664 -106.34365 762.88070
3760.0000 -111.11918 -106.89111 4.22806 2.24358 -106.89638 704.82954
3765.0000 -111.76630 -107.58795 4.17835 2.18862 -107.60205 674.78823
3770.0000 -112.23971 -107.93171 4.30800 2.20079 -107.44577 686.60513
3775.0000 -110.10444 -106.02185 4.08259 2.24461 -106.88311 703.98324
3780.0000 -111.79468 -107.18072 4.61396 2.24423 -106.88803 707.07299
3785.0000 -109.75989 -105.34936 4.41053 2.24821 -106.83700 707.28122
3790.0000 -111.41347 -105.68690 5.72657 2.33616 -105.70785 816.22894
3795.0000 -109.85795 -105.99259 3.86536 2.37736 -105.17888 805.34876
3800.0000 -110.32711 -105.17864 5.14847 2.36282 -105.36557 791.15704
3805.0000 -109.68926 -105.22434 4.46493 2.38611 -105.06654 839.61832
3810.0000 -110.67973 -106.53742 4.14231 2.34349 -105.61376 757.04877
3815.0000 -110.66869 -105.34518 5.32351 2.33794 -105.68499 776.43290
3820.0000 -111.19151 -106.90750 4.28402 2.28079 -106.41867 724.86810
3825.0000 -110.45998 -106.14263 4.31735 2.23818 -106.96566 714.98231
3830.0000 -110.34620 -105.89471 4.45149 2.28117 -106.41376 774.69332
3835.0000 -110.83132 -106.83052 4.00080 2.29968 -106.17614 779.15716
3840.0000 -110.85247 -105.80661 5.04586 2.29603 -106.22301 738.54209
3845.0000 -110.55180 -104.68119 5.87061 2.34724 -105.56558 808.02861
3850.0000 -111.31221 -106.63738 4.67483 2.35394 -105.47962 836.12258
3855.0000 -110.99450 -106.54200 4.45250 2.25705 -106.72349 702.54794
3860.0000 -111.56486 -107.18368 4.38118 2.25376 -106.76574 736.58834
3865.0000 -111.82823 -107.36566 4.46257 2.17233 -107.81111 675.68116
3870.0000 -111.75667 -107.69360 4.06307 2.21894 -107.21270 718.95481
3875.0000 -112.16551 -108.70131 3.46419 2.17328 -107.79898 668.64014
3880.0000 -111.48078 -107.34837 4.13241 2.17416 -107.78761 677.57253
3885.0000 -111.44673 -107.92135 3.52538 2.14626 -108.14579 656.33836
3890.0000 -110.58932 -106.75752 3.83180 2.21041 -107.32228 695.55373
3895.0000 -112.01489 -107.75307 4.26182 2.22280 -107.16317 691.17162
3900.0000 -112.72146 -109.08573 3.63573 2.10681 -108.65232 589.04312
3905.0000 -111.84712 -107.09048 4.75664 2.22038 -107.19429 715.46595
3910.0000 -110.59734 -106.57096 4.02637 2.27058 -106.54980 729.10954
3915.0000 -111.13305 -106.45044 4.68261 2.28249 -106.39689 753.09403
3920.0000 -110.49276 -106.08277 4.40999 2.30411 -106.11926 754.03493
3925.0000 -111.20661 -106.26334 4.94327 2.35304 -105.49113 801.25519
3930.0000 -110.64126 -106.22335 4.41792 2.28956 -106.30605 729.06072
3935.0000 -111.16986 -106.66483 4.50502 2.27767 -106.45877 740.59898
3940.0000 -112.41056 -107.69008 4.72048 2.23034 -107.06642 710.04111
3945.0000 -112.04002 -108.43454 3.60548 2.16843 -107.86124 669.99058
3950.0000 -113.14348 -108.97272 4.17076 2.12518 -108.41648 644.02892
3955.0000 -111.96762 -107.94426 4.02336 2.09734 -108.77388 626.62844
3960.0000 -112.16631 -107.44515 4.72116 2.16143 -107.95108 671.61049
3965.0000 -110.93614 -106.47354 4.46260 2.27717 -106.46520 728.91809
3970.0000 -110.45618 -105.47344 4.98274 2.28386 -106.37922 744.13048
3975.0000 -109.72195 -104.42024 5.30171 2.42885 -104.51789 870.43186
3980.0000 -110.91964 -106.86998 4.04967 2.28444 -106.37186 729.38775
3985.0000 -110.38495 -106.03643 4.34851 2.24875 -106.82998 725.58423
3990.0000 -110.20026 -106.69129 3.50897 2.29688 -106.21216 754.42431
3995.0000 -110.41054 -106.23330 4.17724 2.27897 -106.44205 742.96190
4000.0000 -110.46492 -106.54144 3.92348 2.23688 -106.98247 705.17135
FREEZING PROCESS: loop number 17 T-loop= 705.00000000000000
main_MD> interactions number 17 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68123 2.71474 -0.01376
force_rgl> df(natom) 0.16727 -0.88792 1.10536
4005.0000 -109.79874 -105.45561 4.34314 2.30583 -106.09728 735.01060
4010.0000 -111.54834 -105.58095 5.96739 2.32022 -105.91244 767.45958
4015.0000 -110.83468 -107.31640 3.51828 2.30256 -106.13921 746.23162
4020.0000 -110.76137 -106.81913 3.94224 2.24021 -106.93968 694.69077
4025.0000 -110.96556 -106.83754 4.12802 2.23540 -107.00138 708.93876
4030.0000 -110.71779 -106.35087 4.36692 2.25526 -106.74647 732.93678
4035.0000 -112.05601 -107.78981 4.26620 2.23839 -106.96307 704.51320
4040.0000 -112.25596 -107.87809 4.37787 2.16902 -107.85366 695.54383
4045.0000 -111.01626 -107.73082 3.28544 2.14742 -108.13094 639.44077
4050.0000 -110.93419 -106.67232 4.26187 2.18123 -107.69688 688.94367
4055.0000 -111.49092 -107.60299 3.88793 2.20415 -107.40262 662.70781
4060.0000 -112.30169 -108.08672 4.21496 2.14014 -108.22433 631.96188
4065.0000 -111.71902 -107.96065 3.75837 2.15197 -108.07245 657.34143
4070.0000 -112.63479 -108.40841 4.22637 2.15653 -108.01393 698.14223
4075.0000 -111.47883 -106.94419 4.53464 2.21703 -107.23719 712.97579
4080.0000 -110.73736 -105.72921 5.00815 2.27213 -106.52992 738.86750
4085.0000 -110.79861 -107.04865 3.74996 2.29574 -106.22670 740.88691
4090.0000 -110.83671 -106.22285 4.61386 2.23439 -107.01437 695.66337
4095.0000 -111.23289 -106.03696 5.19593 2.25292 -106.77646 725.58976
4100.0000 -112.87961 -109.17418 3.70543 2.21844 -107.21916 692.84229
4105.0000 -112.16718 -108.75380 3.41337 2.13195 -108.32955 647.03959
4110.0000 -111.83014 -107.78607 4.04407 2.13068 -108.34586 632.83836
4115.0000 -111.00174 -107.50689 3.49485 2.17857 -107.73106 662.47686
4120.0000 -110.72695 -106.81130 3.91565 2.23241 -107.03982 681.72130
4125.0000 -110.25534 -106.63943 3.61591 2.22363 -107.15252 710.69036
4130.0000 -110.70204 -106.57041 4.13162 2.28496 -106.36513 747.28175
4135.0000 -110.49509 -106.49455 4.00054 2.25680 -106.72665 717.59719
4140.0000 -110.49494 -106.06807 4.42688 2.32305 -105.87613 757.57596
4145.0000 -110.63375 -106.61920 4.01455 2.29156 -106.28040 744.95565
4150.0000 -110.68653 -106.85474 3.83179 2.22797 -107.09681 693.45879
4155.0000 -111.66745 -106.44119 5.22626 2.24981 -106.81643 737.33239
4160.0000 -110.77315 -106.82928 3.94387 2.26727 -106.59230 743.63090
4165.0000 -112.27667 -108.12614 4.15053 2.18547 -107.64246 677.76362
4170.0000 -111.93295 -107.60290 4.33005 2.16916 -107.85177 665.09726
4175.0000 -111.60445 -107.74413 3.86032 2.18556 -107.64126 655.98481
4180.0000 -111.52912 -107.85152 3.67760 2.20225 -107.42701 698.36989
4185.0000 -111.83026 -107.97863 3.85164 2.15494 -108.03432 637.61398
4190.0000 -111.43929 -106.62801 4.81128 2.24649 -106.85904 737.58511
4195.0000 -110.05643 -106.38997 3.66645 2.26901 -106.56988 725.50866
4200.0000 -111.36908 -106.63868 4.73040 2.28045 -106.42304 753.64445
4205.0000 -111.77255 -107.81072 3.96183 2.22351 -107.15400 720.47697
4210.0000 -110.64659 -106.82829 3.81830 2.22325 -107.15738 682.09354
4215.0000 -110.80996 -106.97904 3.83092 2.21143 -107.30914 678.11713
4220.0000 -110.15261 -106.53305 3.61956 2.25609 -106.73573 682.75748
4225.0000 -111.06542 -105.95778 5.10765 2.29153 -106.28082 751.34042
4230.0000 -110.66383 -106.93339 3.73044 2.19804 -107.48106 686.75405
4235.0000 -111.40310 -107.33380 4.06931 2.23745 -106.97513 687.80803
4240.0000 -111.53271 -107.92665 3.60606 2.20261 -107.42242 674.46325
4245.0000 -110.99129 -106.51916 4.47213 2.21709 -107.23645 714.24337
4250.0000 -109.78080 -105.67352 4.10728 2.32482 -105.85348 801.04614
FREEZING PROCESS: loop number 18 T-loop= 680.00000000000000
main_MD> interactions number 18 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03411 0.50313 -2.23829
force_rgl> df(natom) -4.95195 2.61482 -0.68262
4255.0000 -110.47069 -105.93052 4.54016 2.29707 -106.20969 759.21299
4260.0000 -111.64318 -107.41163 4.23155 2.25204 -106.78781 743.57894
4265.0000 -112.54522 -109.16643 3.37879 2.16181 -107.94612 650.64965
4270.0000 -112.43284 -108.70666 3.72618 2.10181 -108.71652 630.11422
4275.0000 -111.75557 -108.20913 3.54644 2.13724 -108.26157 621.86898
4280.0000 -111.51180 -106.87018 4.64162 2.19799 -107.48174 642.44772
4285.0000 -111.00125 -106.51140 4.48985 2.28322 -106.38745 713.52178
4290.0000 -110.69138 -106.71285 3.97853 2.27561 -106.48520 750.05602
4295.0000 -110.98419 -106.64633 4.33786 2.23197 -107.04540 711.28311
4300.0000 -111.32270 -106.98485 4.33785 2.24238 -106.91177 745.77653
4305.0000 -111.66655 -106.74317 4.92338 2.19125 -107.56821 695.24133
4310.0000 -111.60568 -108.05721 3.54846 2.18330 -107.67031 685.42227
4315.0000 -111.55470 -106.41180 5.14291 2.20899 -107.34042 702.38250
4320.0000 -111.98213 -108.10146 3.88067 2.26984 -106.55927 752.25475
4325.0000 -112.30637 -108.46458 3.84179 2.11336 -108.56813 628.63179
4330.0000 -111.34160 -107.79727 3.54433 2.13714 -108.26295 644.98192
4335.0000 -112.56537 -108.45606 4.10931 2.13379 -108.30586 642.53290
4340.0000 -111.49201 -107.55044 3.94157 2.15536 -108.02896 619.62974
4345.0000 -111.44345 -106.76152 4.68193 2.28594 -106.35251 739.38194
4350.0000 -110.03495 -104.45719 5.57776 2.30929 -106.05275 753.41201
4355.0000 -110.80684 -106.58180 4.22504 2.36614 -105.32288 830.32231
4360.0000 -110.37371 -106.45620 3.91751 2.29857 -106.19040 739.02880
4365.0000 -111.18437 -106.46747 4.71690 2.24864 -106.83140 708.59899
4370.0000 -110.91767 -105.75421 5.16345 2.28283 -106.39256 735.68006
4375.0000 -111.22514 -105.34365 5.88149 2.36542 -105.33224 815.21061
4380.0000 -109.59314 -106.02104 3.57210 2.30810 -106.06809 771.66470
4385.0000 -111.65713 -106.92033 4.73680 2.33131 -105.77012 760.71503
4390.0000 -111.90265 -107.53935 4.36330 2.19712 -107.49285 679.21195
4395.0000 -111.18678 -106.94510 4.24168 2.21290 -107.29030 698.27119
4400.0000 -111.37182 -107.17583 4.19598 2.20782 -107.35549 682.73095
4405.0000 -110.79044 -106.15094 4.63950 2.22157 -107.17892 705.54959
4410.0000 -111.72378 -107.41955 4.30423 2.26827 -106.57944 732.90249
4415.0000 -111.24925 -107.33415 3.91510 2.20957 -107.33303 699.61089
4420.0000 -111.86471 -107.45103 4.41367 2.21418 -107.27380 712.23754
4425.0000 -112.24139 -108.26378 3.97761 2.12862 -108.37226 631.04639
4430.0000 -111.47543 -107.33504 4.14038 2.19426 -107.52964 704.24492
4435.0000 -111.20525 -107.15325 4.05201 2.21810 -107.22356 686.09993
4440.0000 -111.80221 -107.44528 4.35692 2.20392 -107.40557 719.27807
4445.0000 -111.90854 -108.42182 3.48672 2.14294 -108.18850 648.28062
4450.0000 -112.19994 -108.73805 3.46190 2.13709 -108.26350 606.63454
4455.0000 -112.02219 -107.79828 4.22391 2.17036 -107.83644 673.58848
4460.0000 -111.17146 -107.23930 3.93216 2.21567 -107.25465 692.66850
4465.0000 -112.63977 -108.68358 3.95620 2.20962 -107.33234 695.30870
4470.0000 -111.90780 -108.11785 3.78995 2.16476 -107.90833 629.82081
4475.0000 -111.10829 -107.14513 3.96316 2.19268 -107.54983 678.70022
4480.0000 -111.37420 -107.63339 3.74082 2.16548 -107.89910 600.61178
4485.0000 -112.21385 -108.85081 3.36304 2.11684 -108.52350 598.96477
4490.0000 -112.29065 -108.31322 3.97743 2.10990 -108.61266 617.52707
4495.0000 -111.39735 -107.19956 4.19779 2.14777 -108.12639 654.77550
4500.0000 -112.04883 -108.10877 3.94007 2.20032 -107.45183 695.58042
FREEZING PROCESS: loop number 19 T-loop= 655.00000000000000
main_MD> interactions number 19 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.17906 -2.29959 0.56630
force_rgl> df(natom) 1.30606 0.54214 -0.11788
4505.0000 -112.18060 -108.07309 4.10751 2.13351 -108.30944 642.44140
4510.0000 -112.77257 -109.08871 3.68386 2.12515 -108.41688 639.99944
4515.0000 -112.37250 -108.88791 3.48460 2.07308 -109.08535 580.20196
4520.0000 -111.42424 -107.23939 4.18485 2.12546 -108.41284 620.82782
4525.0000 -111.76466 -107.73899 4.02567 2.16569 -107.89633 645.01814
4530.0000 -111.40940 -106.80800 4.60139 2.16781 -107.86915 648.93141
4535.0000 -112.07954 -107.87328 4.20626 2.19504 -107.51961 699.87850
4540.0000 -111.86737 -107.83238 4.03500 2.16707 -107.87864 675.39431
4545.0000 -111.14246 -107.70556 3.43690 2.16338 -107.92605 641.29472
4550.0000 -111.53561 -107.14728 4.38833 2.19335 -107.54120 681.52665
4555.0000 -112.63531 -107.74385 4.89146 2.17225 -107.81219 666.85986
4560.0000 -112.56801 -108.60044 3.96757 2.14369 -108.17884 654.19698
4565.0000 -111.11013 -108.02606 3.08406 2.11460 -108.55226 629.14802
4570.0000 -112.14890 -107.35271 4.79619 2.21320 -107.28646 715.02301
4575.0000 -111.30197 -107.18471 4.11726 2.17919 -107.72300 681.96995
4580.0000 -112.00710 -107.53455 4.47255 2.22784 -107.09848 691.67527
4585.0000 -111.92458 -107.21083 4.71375 2.19586 -107.50905 692.71643
4590.0000 -112.09671 -107.97532 4.12139 2.18421 -107.65859 663.97286
4595.0000 -111.40220 -106.77879 4.62341 2.23148 -107.05173 702.60304
4600.0000 -111.47327 -107.18907 4.28420 2.24857 -106.83235 696.70279
4605.0000 -110.51432 -106.17479 4.33953 2.25775 -106.71453 716.33071
4610.0000 -110.81355 -106.85621 3.95734 2.30896 -106.05698 752.22057
4615.0000 -112.62413 -108.04800 4.57613 2.22483 -107.13710 683.38952
4620.0000 -111.86718 -107.84319 4.02399 2.15749 -108.00161 653.37050
4625.0000 -112.33984 -108.82398 3.51585 2.11470 -108.55105 639.13500
4630.0000 -111.28685 -107.99773 3.28913 2.12835 -108.37569 613.66704
4635.0000 -112.55749 -108.57622 3.98127 2.13084 -108.34381 645.62500
4640.0000 -111.65357 -107.99491 3.65866 2.14200 -108.20054 629.73940
4645.0000 -112.12924 -107.96064 4.16859 2.16339 -107.92587 652.80810
4650.0000 -111.60815 -107.35102 4.25712 2.21259 -107.29426 717.77395
4655.0000 -111.98258 -107.60898 4.37360 2.19460 -107.52516 719.14977
4660.0000 -112.15436 -108.79004 3.36432 2.16630 -107.88848 693.03040
4665.0000 -111.39676 -108.13901 3.25775 2.12838 -108.37538 622.79391
4670.0000 -111.19594 -106.80762 4.38832 2.21453 -107.26931 691.80296
4675.0000 -111.40441 -107.89120 3.51320 2.20153 -107.43619 688.33608
4680.0000 -111.18261 -107.43358 3.74903 2.18990 -107.58557 691.89634
4685.0000 -112.25302 -107.79582 4.45720 2.21981 -107.20158 703.93787
4690.0000 -111.98499 -108.43063 3.55436 2.17863 -107.73026 679.35996
4695.0000 -111.62678 -107.86910 3.75768 2.15294 -108.06006 620.42623
4700.0000 -111.79477 -107.72118 4.07359 2.19764 -107.48624 695.87976
4705.0000 -112.18200 -107.84991 4.33209 2.17996 -107.71321 663.99632
4710.0000 -110.93310 -107.14093 3.79217 2.26651 -106.60202 740.63715
4715.0000 -111.64505 -107.30451 4.34054 2.22894 -107.08431 700.29612
4720.0000 -112.47740 -108.43758 4.03983 2.16856 -107.85948 657.35870
4725.0000 -112.79248 -109.34764 3.44484 2.06378 -109.20466 570.46855
4730.0000 -111.82069 -107.48886 4.33183 2.12768 -108.38441 626.39756
4735.0000 -111.20685 -107.06409 4.14276 2.22506 -107.13421 686.83750
4740.0000 -111.16710 -106.79356 4.37354 2.22097 -107.18666 699.46361
4745.0000 -111.54416 -107.03978 4.50438 2.21912 -107.21038 694.64067
4750.0000 -111.25935 -107.38441 3.87494 2.20277 -107.42031 684.62525
FREEZING PROCESS: loop number 20 T-loop= 630.00000000000000
main_MD> interactions number 20 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.54195 -4.86496 -0.62283
force_rgl> df(natom) 0.10226 -1.52491 1.82978
4755.0000 -111.74330 -107.51194 4.23136 2.18265 -107.67859 687.27006
4760.0000 -112.50530 -108.31987 4.18543 2.17657 -107.75671 694.45415
4765.0000 -112.28443 -108.54835 3.73608 2.13548 -108.28425 642.69339
4770.0000 -111.37762 -108.19165 3.18597 2.13342 -108.31066 624.38771
4775.0000 -112.33548 -108.70663 3.62885 2.13698 -108.26493 628.38877
4780.0000 -111.84604 -108.15064 3.69540 2.12911 -108.36599 624.54596
4785.0000 -112.46210 -108.66222 3.79988 2.14170 -108.20442 643.38977
4790.0000 -111.02299 -107.35138 3.67161 2.12670 -108.39689 618.50173
4795.0000 -110.85168 -107.03098 3.82070 2.21170 -107.30574 683.80925
4800.0000 -112.08302 -107.50109 4.58193 2.21255 -107.29481 691.94715
4805.0000 -111.38523 -107.26073 4.12450 2.16148 -107.95042 628.25448
4810.0000 -112.50576 -109.20088 3.30488 2.14411 -108.17338 667.68371
4815.0000 -113.17123 -110.62576 2.54547 2.00553 -109.95253 514.14166
4820.0000 -113.19180 -109.50381 3.68800 1.96876 -110.42456 510.98300
4825.0000 -112.81332 -108.88668 3.92664 2.08062 -108.98854 582.57089
4830.0000 -112.25132 -108.85614 3.39518 2.11927 -108.49235 631.49325
4835.0000 -111.97895 -108.77255 3.20640 2.06644 -109.17057 553.67724
4840.0000 -113.16876 -109.18775 3.98101 2.07527 -109.05724 582.77428
4845.0000 -111.81479 -108.57332 3.24148 2.11393 -108.56091 601.36018
4850.0000 -111.64816 -108.19692 3.45124 2.12133 -108.46589 613.44575
4855.0000 -112.27226 -108.04387 4.22839 2.13722 -108.26189 639.41106
4860.0000 -112.46061 -108.32996 4.13065 2.11106 -108.59767 626.89142
4865.0000 -112.01593 -107.79142 4.22451 2.17151 -107.82161 649.89829
4870.0000 -112.13767 -108.31725 3.82042 2.17857 -107.73102 657.96384
4875.0000 -111.73825 -108.26319 3.47506 2.13832 -108.24773 600.62954
4880.0000 -112.31645 -109.19228 3.12416 2.13878 -108.24182 615.73154
4885.0000 -111.79327 -108.38503 3.40824 2.12867 -108.37161 631.69537
4890.0000 -111.54595 -107.35906 4.18689 2.14716 -108.13427 663.41321
4895.0000 -111.97062 -108.26992 3.70070 2.17105 -107.82750 687.74719
4900.0000 -112.35692 -108.84873 3.50819 2.15389 -108.04791 629.10787
4905.0000 -111.83579 -108.17899 3.65680 2.12536 -108.41408 618.83163
4910.0000 -111.66774 -108.29315 3.37459 2.16192 -107.94481 623.37209
4915.0000 -111.79990 -107.46883 4.33108 2.16344 -107.92531 616.39190
4920.0000 -112.10969 -108.84002 3.26967 2.13535 -108.28586 627.77350
4925.0000 -112.39669 -109.07897 3.31772 2.11910 -108.49451 587.62135
4930.0000 -113.33333 -109.82120 3.51213 2.02070 -109.75784 567.94671
4935.0000 -113.38509 -110.44918 2.93592 2.01718 -109.80303 548.51209
4940.0000 -112.14613 -109.51559 2.63054 2.04414 -109.45689 588.82943
4945.0000 -112.40012 -108.89513 3.50499 2.06817 -109.14834 602.42478
4950.0000 -111.64514 -108.54092 3.10422 2.09657 -108.78369 611.86553
4955.0000 -112.10148 -108.87842 3.22305 2.09168 -108.84656 583.57652
4960.0000 -112.79758 -108.38336 4.41422 2.13705 -108.26406 643.81715
4965.0000 -112.78930 -108.91963 3.86966 2.10790 -108.63824 616.98037
4970.0000 -112.38104 -108.26505 4.11599 2.08333 -108.95371 618.35805
4975.0000 -111.87359 -108.49886 3.37473 2.12476 -108.42186 646.00333
4980.0000 -112.26410 -108.49406 3.77004 2.10810 -108.63577 630.98333
4985.0000 -111.47914 -107.24966 4.22948 2.19120 -107.56891 680.79193
4990.0000 -111.75771 -108.03134 3.72637 2.19200 -107.55861 684.48055
4995.0000 -110.61998 -106.68971 3.93027 2.18160 -107.69211 666.49791
5000.0000 -111.01337 -107.30395 3.70942 2.23406 -107.01857 682.54851
FREEZING PROCESS: loop number 21 T-loop= 605.00000000000000
main_MD> interactions number 21 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87676 1.32785 2.43604
force_rgl> df(natom) -3.30723 -4.90131 2.18215
5005.0000 -112.41821 -108.32879 4.08942 2.18267 -107.67835 633.83911
5010.0000 -111.31614 -107.66565 3.65049 2.21479 -107.26606 681.06199
5015.0000 -111.85747 -108.13700 3.72047 2.15354 -108.05240 622.78176
5020.0000 -112.39418 -108.25969 4.13448 2.12030 -108.47914 604.90650
5025.0000 -112.10901 -108.48452 3.62449 2.12763 -108.38502 636.59299
5030.0000 -111.69927 -108.22777 3.47150 2.13058 -108.34715 625.51740
5035.0000 -112.22320 -109.28445 2.93875 2.10073 -108.73036 612.73345
5040.0000 -113.61153 -110.20470 3.40682 2.02247 -109.73509 570.38061
5045.0000 -112.70616 -109.51675 3.18942 2.04134 -109.49282 571.83067
5050.0000 -112.36473 -109.06951 3.29522 2.05985 -109.25517 570.60339
5055.0000 -112.60668 -109.53057 3.07611 2.06744 -109.15775 587.09777
5060.0000 -112.72977 -109.76588 2.96389 2.02290 -109.72955 553.75203
5065.0000 -112.64487 -108.76200 3.88287 2.08000 -108.99642 565.90247
5070.0000 -112.52223 -109.18950 3.33273 2.06931 -109.13375 589.97879
5075.0000 -112.77661 -109.27577 3.50084 2.05074 -109.37206 581.52717
5080.0000 -112.35538 -108.59029 3.76509 2.06813 -109.14881 612.78525
5085.0000 -111.94541 -108.27773 3.66768 2.14385 -108.17676 655.76971
5090.0000 -112.38429 -108.57464 3.80965 2.13011 -108.35309 624.07149
5095.0000 -111.93599 -108.80555 3.13044 2.12141 -108.46484 619.33577
5100.0000 -111.56058 -108.60484 2.95574 2.09103 -108.85489 621.51504
5105.0000 -112.11562 -109.07810 3.03752 2.09018 -108.86581 606.74392
5110.0000 -112.76851 -108.97204 3.79647 2.08625 -108.91619 598.45188
5115.0000 -112.43061 -108.56498 3.86564 2.06749 -109.15705 601.54335
5120.0000 -111.59697 -106.95070 4.64626 2.16160 -107.94890 663.50932
5125.0000 -112.17737 -108.30406 3.87331 2.17077 -107.83121 673.71910
5130.0000 -112.48808 -109.02022 3.46787 2.10002 -108.73952 610.04133
5135.0000 -111.48992 -108.35938 3.13055 2.09112 -108.85367 564.19027
5140.0000 -111.98861 -108.12564 3.86296 2.11248 -108.57953 618.11845
5145.0000 -111.91115 -107.61504 4.29612 2.14433 -108.17057 656.41019
5150.0000 -111.82405 -106.93683 4.88721 2.17678 -107.75399 687.44010
5155.0000 -110.36967 -106.88909 3.48058 2.21483 -107.26551 679.32460
5160.0000 -110.89653 -107.16609 3.73043 2.26870 -106.57389 733.46767
5165.0000 -111.94722 -108.56995 3.37728 2.16312 -107.92941 647.35914
5170.0000 -112.55449 -109.46365 3.09084 2.10021 -108.73700 566.24514
5175.0000 -112.54360 -109.34892 3.19468 2.06960 -109.13001 569.02532
5180.0000 -111.59643 -108.06850 3.52793 2.12197 -108.45769 625.19723
5185.0000 -112.10466 -107.80036 4.30430 2.14615 -108.14722 663.97479
5190.0000 -111.72588 -108.07000 3.65588 2.13034 -108.35024 642.80345
5195.0000 -112.06284 -108.45095 3.61189 2.12944 -108.36177 616.28828
5200.0000 -112.06627 -108.67190 3.39437 2.05993 -109.25411 546.81750
5205.0000 -112.29764 -108.95513 3.34251 2.10197 -108.71439 576.64949
5210.0000 -111.93688 -109.11816 2.81872 2.04745 -109.41441 569.69902
5215.0000 -111.70938 -108.33105 3.37832 2.07525 -109.05746 582.82251
5220.0000 -112.58949 -108.99798 3.59151 2.09519 -108.80140 598.91093
5225.0000 -112.17481 -109.23356 2.94125 2.11487 -108.54879 604.20104
5230.0000 -112.52249 -109.10694 3.41556 2.07206 -109.09841 541.27305
5235.0000 -112.35217 -109.29697 3.05519 2.06421 -109.19920 575.45860
5240.0000 -111.84927 -108.78072 3.06855 2.06865 -109.14219 592.64236
5245.0000 -112.43063 -108.09754 4.33308 2.14873 -108.11404 627.02465
5250.0000 -112.16220 -108.43512 3.72708 2.14151 -108.20673 657.96885
FREEZING PROCESS: loop number 22 T-loop= 580.00000000000000
main_MD> interactions number 22 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48505 2.37571 0.12257
force_rgl> df(natom) -1.64943 -2.47013 1.67003
5255.0000 -112.16884 -108.27445 3.89439 2.14121 -108.21063 640.90413
5260.0000 -112.79381 -108.84501 3.94879 2.09518 -108.80155 630.34197
5265.0000 -112.16526 -109.01145 3.15382 2.07688 -109.03648 599.72241
5270.0000 -112.34265 -108.88783 3.45482 2.06490 -109.19035 580.70644
5275.0000 -112.00261 -108.03671 3.96591 2.12355 -108.43740 621.48583
5280.0000 -112.29778 -108.84097 3.45681 2.13885 -108.24099 643.16327
5285.0000 -112.04849 -108.65807 3.39042 2.05387 -109.33192 582.68369
5290.0000 -113.36871 -109.57923 3.78947 2.09678 -108.78112 603.25200
5295.0000 -112.75775 -109.54611 3.21164 2.05280 -109.34563 581.71274
5300.0000 -112.90914 -109.33821 3.57093 1.99680 -110.06462 524.49218
5305.0000 -112.48123 -108.77255 3.70868 2.06537 -109.18426 581.48285
5310.0000 -113.07309 -108.66980 4.40328 2.15394 -108.04726 638.25777
5315.0000 -112.13608 -108.13268 4.00340 2.11093 -108.59939 652.27122
5320.0000 -113.20225 -109.77530 3.42695 2.06995 -109.12556 631.15378
5325.0000 -112.77620 -109.03537 3.74083 2.06504 -109.18850 585.43556
5330.0000 -112.73338 -108.83770 3.89568 2.08061 -108.98870 626.72375
5335.0000 -112.39779 -109.17436 3.22343 2.07945 -109.00353 616.81962
5340.0000 -112.25290 -109.04179 3.21112 2.06736 -109.15871 588.43354
5345.0000 -111.60533 -107.50725 4.09808 2.12311 -108.44301 601.15824
5350.0000 -111.51719 -107.11775 4.39944 2.19828 -107.47794 657.07809
5355.0000 -112.66525 -109.35665 3.30861 2.10247 -108.70803 600.85251
5360.0000 -112.85654 -109.42462 3.43192 2.05642 -109.29916 569.30438
5365.0000 -113.47004 -109.93227 3.53777 2.07007 -109.12393 592.68745
5370.0000 -113.12789 -109.65947 3.46842 2.04851 -109.40081 577.05419
5375.0000 -112.23793 -108.10599 4.13194 2.07433 -109.06925 572.96644
5380.0000 -112.73047 -109.34327 3.38720 2.11034 -108.60694 600.26936
5385.0000 -112.12335 -109.19177 2.93158 2.10093 -108.72775 575.73770
5390.0000 -111.90636 -109.47613 2.43023 2.05906 -109.26536 541.26679
5395.0000 -112.92016 -109.85319 3.06698 2.04650 -109.42657 536.62600
5400.0000 -112.53440 -109.09931 3.43509 2.05609 -109.30344 561.47372
5405.0000 -112.24661 -107.90567 4.34094 2.09653 -108.78432 590.10360
5410.0000 -112.67554 -108.88202 3.79352 2.10240 -108.70890 576.94131
5415.0000 -111.95984 -108.39091 3.56893 2.11195 -108.58626 603.75906
5420.0000 -112.93684 -109.36461 3.57223 2.10862 -108.62900 606.22019
5425.0000 -113.32603 -109.78669 3.53934 2.03607 -109.56047 569.55095
5430.0000 -112.98682 -109.69710 3.28972 2.05299 -109.34320 579.54655
5435.0000 -112.17219 -108.68966 3.48253 2.03911 -109.52146 545.22604
5440.0000 -113.32417 -109.36880 3.95538 2.08407 -108.94419 616.87693
5445.0000 -112.76110 -108.89305 3.86805 2.06630 -109.17232 580.64839
5450.0000 -112.73766 -109.39222 3.34544 2.09599 -108.79120 593.60706
5455.0000 -112.77239 -109.58197 3.19043 2.04292 -109.47251 549.13343
5460.0000 -112.57244 -109.42000 3.15244 2.08049 -108.99013 583.94268
5465.0000 -112.86782 -109.78210 3.08573 2.02305 -109.72760 533.88127
5470.0000 -112.97089 -109.06543 3.90546 2.03352 -109.59324 552.57549
5475.0000 -112.66669 -109.86115 2.80555 2.04499 -109.44590 551.70903
5480.0000 -113.07559 -110.08320 2.99239 2.00402 -109.97190 529.85915
5485.0000 -113.58605 -110.04619 3.53986 2.01670 -109.80915 534.27113
5490.0000 -112.68159 -109.40792 3.27367 2.02985 -109.64031 549.72293
5495.0000 -111.35512 -108.16158 3.19355 2.09579 -108.79382 604.37570
5500.0000 -110.66474 -107.71370 2.95104 2.15988 -107.97097 651.11319
FREEZING PROCESS: loop number 23 T-loop= 555.00000000000000
main_MD> interactions number 23 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18365 -0.32135 -1.57337
force_rgl> df(natom) -0.93486 -2.15770 1.33922
5505.0000 -112.67699 -108.30878 4.36822 2.14693 -108.13727 644.35604
5510.0000 -112.32315 -109.18991 3.13324 2.06050 -109.24683 554.97903
5515.0000 -113.15039 -109.00776 4.14263 2.09753 -108.77144 598.15431
5520.0000 -112.49701 -109.20520 3.29181 2.08015 -108.99458 563.60158
5525.0000 -113.64111 -110.49296 3.14815 2.02501 -109.70245 506.03760
5530.0000 -113.00646 -109.44049 3.56597 2.00342 -109.97960 522.75937
5535.0000 -112.64921 -109.22950 3.41971 2.03767 -109.53993 569.36501
5540.0000 -113.19583 -110.21220 2.98363 2.03832 -109.53162 540.33853
5545.0000 -112.36492 -109.11419 3.25072 2.02663 -109.68169 531.53236
5550.0000 -112.11782 -109.18450 2.93332 2.03831 -109.53175 541.25226
5555.0000 -112.22144 -108.44755 3.77389 2.08371 -108.94879 587.21862
5560.0000 -112.41878 -109.13383 3.28494 2.08013 -108.99482 572.16238
5565.0000 -112.68691 -109.59313 3.09378 2.04272 -109.47514 550.06387
5570.0000 -112.31308 -109.20245 3.11064 2.05294 -109.34384 573.68400
5575.0000 -112.93380 -110.06636 2.86744 2.01074 -109.88569 558.81807
5580.0000 -112.44843 -109.16202 3.28641 2.05917 -109.26396 570.71715
5585.0000 -112.90778 -110.00692 2.90086 1.99372 -110.10420 504.19509
5590.0000 -111.88366 -108.71660 3.16707 2.05297 -109.34351 563.60963
5595.0000 -111.58601 -108.15253 3.43348 2.12088 -108.47161 617.68116
5600.0000 -113.09842 -109.60909 3.48932 2.08516 -108.93029 580.62151
5605.0000 -113.37097 -109.48104 3.88993 2.02566 -109.69415 548.19020
5610.0000 -112.50749 -109.20209 3.30540 2.05206 -109.35513 555.20575
5615.0000 -112.17078 -109.28480 2.88598 2.06800 -109.15060 562.06641
5620.0000 -112.62100 -109.66485 2.95616 2.03412 -109.58556 554.33948
5625.0000 -111.63638 -108.43065 3.20572 2.09164 -108.84698 588.37069
5630.0000 -113.03149 -109.71895 3.31254 2.09926 -108.74922 566.37476
5635.0000 -112.24317 -109.45292 2.79025 2.02318 -109.72597 523.93295
5640.0000 -113.36645 -109.98200 3.38445 2.00728 -109.93006 528.11512
5645.0000 -112.81756 -109.58429 3.23327 2.08489 -108.93366 608.34062
5650.0000 -112.92548 -109.81008 3.11539 2.04632 -109.42886 557.53108
5655.0000 -111.97786 -108.84570 3.13216 2.03547 -109.56822 540.42751
5660.0000 -112.43239 -108.52651 3.90588 2.12129 -108.46639 606.17726
5665.0000 -113.05994 -109.36416 3.69577 2.07507 -109.05975 577.82499
5670.0000 -113.04012 -109.77835 3.26178 2.04921 -109.39171 556.41053
5675.0000 -112.25676 -109.43314 2.82362 2.04846 -109.40141 571.37735
5680.0000 -112.79060 -109.08884 3.70176 2.05294 -109.34391 556.54322
5685.0000 -112.50372 -109.57841 2.92531 2.05349 -109.33677 576.01950
5690.0000 -113.08664 -110.02072 3.06593 1.99899 -110.03656 508.59110
5695.0000 -112.81978 -109.80998 3.00981 2.00756 -109.92649 525.11724
5700.0000 -113.32943 -110.17158 3.15785 2.01627 -109.81467 550.49519
5705.0000 -112.62156 -109.64443 2.97713 2.00250 -109.99149 516.66958
5710.0000 -113.60381 -109.34680 4.25701 2.03324 -109.59675 570.62160
5715.0000 -112.73132 -109.60002 3.13130 2.00812 -109.91924 513.09426
5720.0000 -112.63141 -109.41813 3.21327 2.05940 -109.26093 579.20955
5725.0000 -112.97344 -109.53475 3.43870 2.05605 -109.30398 595.37335
5730.0000 -113.54142 -110.38150 3.15992 2.00234 -109.99355 536.77518
5735.0000 -113.12949 -110.28672 2.84276 1.98360 -110.23410 516.47217
5740.0000 -113.32289 -110.08033 3.24257 1.98489 -110.21754 521.49028
5745.0000 -112.76864 -109.68723 3.08142 1.99783 -110.05145 507.40654
5750.0000 -112.29759 -108.90711 3.39048 2.03223 -109.60972 551.73142
FREEZING PROCESS: loop number 24 T-loop= 530.00000000000000
main_MD> interactions number 24 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50918 0.92359 2.38004
force_rgl> df(natom) 2.29032 1.45880 0.34624
5755.0000 -112.13822 -108.60634 3.53188 2.11368 -108.56415 606.60900
5760.0000 -111.40709 -108.66905 2.73804 2.10355 -108.69415 600.98750
5765.0000 -112.02413 -108.96469 3.05943 2.09208 -108.84138 568.31418
5770.0000 -113.59782 -109.80892 3.78890 2.04948 -109.38827 560.82251
5775.0000 -112.14563 -109.80986 2.33577 2.00835 -109.91634 557.00145
5780.0000 -113.29498 -110.64476 2.65022 1.99606 -110.07406 509.38546
5785.0000 -112.36497 -109.17875 3.18622 2.00499 -109.95946 493.22889
5790.0000 -112.54471 -109.48741 3.05731 2.05879 -109.26879 563.34758
5795.0000 -112.65304 -109.80722 2.84582 2.00695 -109.93434 514.21468
5800.0000 -112.84142 -109.73476 3.10666 2.01328 -109.85310 520.58725
5805.0000 -112.92427 -109.74995 3.17432 2.01782 -109.79479 524.31728
5810.0000 -113.28469 -110.31020 2.97449 2.00159 -110.00312 513.62129
5815.0000 -112.78563 -109.51606 3.26957 2.01163 -109.87427 521.98506
5820.0000 -112.15709 -109.46850 2.68859 2.04569 -109.43695 561.58355
5825.0000 -112.04145 -108.55545 3.48601 2.10442 -108.68294 602.61825
5830.0000 -113.26690 -109.78058 3.48632 2.04869 -109.39848 546.38005
5835.0000 -112.32652 -109.37804 2.94847 2.04174 -109.48765 542.16579
5840.0000 -112.82032 -109.86868 2.95164 2.00895 -109.90859 522.44954
5845.0000 -112.97387 -109.47878 3.49509 2.03559 -109.56656 551.89972
5850.0000 -112.93528 -110.19936 2.73592 2.00699 -109.93378 541.82979
5855.0000 -112.84139 -109.61808 3.22331 1.99897 -110.03678 519.65259
5860.0000 -113.26892 -110.03433 3.23459 2.02190 -109.74234 556.54199
5865.0000 -113.47453 -109.55202 3.92252 2.01426 -109.84047 549.01996
5870.0000 -113.15131 -109.72340 3.42791 1.99966 -110.02793 525.17458
5875.0000 -112.51386 -109.07289 3.44097 2.02744 -109.67132 548.66462
5880.0000 -112.98560 -109.43617 3.54943 2.06804 -109.15004 577.43542
5885.0000 -113.07155 -110.50303 2.56852 1.99661 -110.06709 517.90726
5890.0000 -113.35569 -109.91031 3.44539 1.98960 -110.15701 524.11633
5895.0000 -113.35599 -110.09849 3.25750 1.98276 -110.24486 510.93934
5900.0000 -113.01037 -110.69672 2.31365 1.96426 -110.48243 483.34788
5905.0000 -113.35955 -110.58218 2.77736 1.97919 -110.29074 509.06508
5910.0000 -113.09764 -110.34607 2.75156 1.95025 -110.66222 503.85262
5915.0000 -113.11392 -109.89545 3.21847 2.00560 -109.95169 537.46087
5920.0000 -112.91734 -109.66871 3.24863 2.03349 -109.59354 569.97026
5925.0000 -112.39386 -109.65288 2.74098 2.02793 -109.66501 558.72528
5930.0000 -113.03450 -109.76466 3.26983 2.04022 -109.50722 566.03254
5935.0000 -112.71120 -109.39695 3.31425 2.01134 -109.87793 534.96279
5940.0000 -113.19222 -109.60176 3.59047 2.04696 -109.42071 549.06513
5945.0000 -113.03460 -109.31859 3.71600 2.04365 -109.46313 562.66239
5950.0000 -112.04464 -108.57266 3.47198 2.05662 -109.29659 569.59892
5955.0000 -111.96084 -108.93068 3.03016 2.06145 -109.23467 551.29734
5960.0000 -111.86792 -108.64596 3.22196 2.07953 -109.00249 548.94367
5965.0000 -112.27905 -109.25602 3.02303 2.06930 -109.13384 552.03252
5970.0000 -112.71040 -109.27723 3.43317 2.07503 -109.06031 579.76051
5975.0000 -112.56868 -109.54139 3.02729 2.00729 -109.92994 521.69680
5980.0000 -112.95018 -109.64890 3.30128 2.03620 -109.55873 544.06483
5985.0000 -112.98784 -110.23035 2.75749 2.02513 -109.70088 555.59889
5990.0000 -113.65391 -110.67158 2.98232 1.94199 -110.76832 490.08059
5995.0000 -112.97768 -110.20241 2.77527 1.97710 -110.31757 533.21257
6000.0000 -113.88345 -110.99717 2.88628 1.95757 -110.56829 493.61168
FREEZING PROCESS: loop number 25 T-loop= 505.00000000000000
main_MD> interactions number 25 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36927 2.11300 -1.99371
force_rgl> df(natom) 2.38319 -1.48402 2.31230
6005.0000 -112.64414 -109.79108 2.85307 1.96304 -110.49809 490.62163
6010.0000 -112.75321 -109.97355 2.77966 2.00980 -109.89775 519.14716
6015.0000 -113.32649 -110.32121 3.00529 2.02235 -109.73656 526.20683
6020.0000 -113.38781 -109.64950 3.73831 2.01658 -109.81064 547.76922
6025.0000 -113.40261 -110.34813 3.05447 1.96191 -110.51253 484.47946
6030.0000 -114.00073 -110.86923 3.13150 1.93788 -110.82109 487.36067
6035.0000 -112.57201 -110.11359 2.45842 1.97339 -110.36517 508.66265
6040.0000 -112.57314 -109.40727 3.16587 2.00192 -109.99890 541.59542
6045.0000 -113.02739 -109.89855 3.12884 2.01741 -109.79997 520.84612
6050.0000 -113.19772 -109.89175 3.30597 1.98686 -110.19223 516.36220
6055.0000 -112.80222 -109.22233 3.57990 2.04523 -109.44289 565.72853
6060.0000 -113.13688 -109.54468 3.59221 2.05102 -109.36853 582.29169
6065.0000 -113.25401 -110.55349 2.70051 2.00833 -109.91665 546.54750
6070.0000 -113.86264 -110.97076 2.89189 1.95917 -110.54771 493.12944
6075.0000 -113.72619 -110.86976 2.85643 1.94296 -110.75583 488.19615
6080.0000 -113.87892 -110.30880 3.57012 1.95581 -110.59086 495.46471
6085.0000 -113.74560 -111.31250 2.43310 1.94014 -110.79208 477.22509
6090.0000 -113.38753 -111.29803 2.08951 1.88570 -111.49101 417.23081
6095.0000 -113.83313 -110.85778 2.97534 1.93045 -110.91639 458.62262
6100.0000 -113.70604 -110.06295 3.64309 1.95977 -110.53996 496.20343
6105.0000 -114.23935 -111.24663 2.99272 1.93748 -110.82619 492.58579
6110.0000 -114.04557 -111.09674 2.94883 1.90524 -111.24005 471.01174
6115.0000 -114.22736 -111.47803 2.74933 1.89534 -111.36718 449.43815
6120.0000 -113.95397 -110.99101 2.96297 1.88804 -111.46094 448.52717
6125.0000 -114.09406 -111.18581 2.90825 1.94748 -110.69781 487.35296
6130.0000 -114.18562 -110.85156 3.33406 1.93341 -110.87846 482.57168
6135.0000 -113.24971 -110.73872 2.51098 1.94780 -110.69372 488.76551
6140.0000 -112.79133 -110.33804 2.45330 1.98754 -110.18345 518.35196
6145.0000 -113.75297 -110.70278 3.05019 1.98329 -110.23804 492.85719
6150.0000 -113.00843 -109.69480 3.31363 1.97873 -110.29666 493.86679
6155.0000 -112.92314 -110.09877 2.82437 1.98970 -110.15579 519.65493
6160.0000 -113.94557 -110.53178 3.41379 1.98106 -110.26674 490.30816
6165.0000 -113.65209 -110.83701 2.81508 1.95166 -110.64408 488.58867
6170.0000 -113.73190 -110.86577 2.86613 1.91538 -111.10997 457.36283
6175.0000 -113.72194 -110.46122 3.26072 1.94585 -110.71868 503.38601
6180.0000 -112.77766 -110.16048 2.61718 1.97919 -110.29064 501.77305
6185.0000 -112.87729 -109.97434 2.90295 2.02686 -109.67865 530.69712
6190.0000 -113.75234 -110.90613 2.84621 1.96999 -110.40880 490.48532
6195.0000 -113.39655 -110.98096 2.41559 1.94394 -110.74321 467.77363
6200.0000 -113.27905 -110.31114 2.96791 1.98253 -110.24788 523.61455
6205.0000 -113.20693 -110.24663 2.96031 1.96924 -110.41843 505.34373
6210.0000 -114.00250 -111.23587 2.76663 1.91656 -111.09476 469.42070
6215.0000 -113.28357 -110.43527 2.84830 1.93404 -110.87037 479.56918
6220.0000 -113.12510 -109.90943 3.21567 1.99753 -110.05520 540.43611
6225.0000 -112.97839 -110.51600 2.46239 1.96028 -110.53346 512.36384
6230.0000 -113.02256 -110.66070 2.36187 1.95809 -110.56161 507.37859
6235.0000 -114.25465 -111.11876 3.13588 1.96771 -110.43803 500.87244
6240.0000 -113.17207 -110.10414 3.06793 1.94356 -110.74807 482.28668
6245.0000 -114.25812 -111.22340 3.03473 1.94605 -110.71610 488.09337
6250.0000 -113.96975 -110.70709 3.26265 1.92532 -110.98230 462.01265
FREEZING PROCESS: loop number 26 T-loop= 480.00000000000000
main_MD> interactions number 26 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.30763 -0.81185 2.04009
force_rgl> df(natom) -0.36649 0.07379 0.66841
6255.0000 -114.53717 -111.27900 3.25817 1.89760 -111.33818 455.49547
6260.0000 -113.52274 -110.50695 3.01580 1.91047 -111.17295 452.42943
6265.0000 -113.67464 -111.16618 2.50846 1.90841 -111.19934 453.07555
6270.0000 -113.02016 -109.97836 3.04180 1.93831 -110.81552 483.86170
6275.0000 -113.06294 -110.46497 2.59798 2.00594 -109.94722 523.56347
6280.0000 -113.15602 -110.42035 2.73567 1.97581 -110.33414 498.58599
6285.0000 -113.43089 -111.35613 2.07476 1.95040 -110.66026 479.03961
6290.0000 -112.80516 -109.81695 2.98821 1.98273 -110.24520 507.58484
6295.0000 -113.32810 -110.01058 3.31752 1.99906 -110.03560 528.17969
6300.0000 -113.62819 -109.76957 3.85863 1.99464 -110.09235 523.54840
6305.0000 -113.42590 -109.90993 3.51597 1.99269 -110.11734 534.27450
6310.0000 -112.83870 -109.94838 2.89032 2.01045 -109.88932 511.07981
6315.0000 -114.02629 -111.26649 2.75980 1.98762 -110.18242 509.34423
6320.0000 -113.86339 -110.67838 3.18501 1.94732 -110.69980 488.41429
6325.0000 -113.97955 -111.09024 2.88931 1.92240 -111.01977 469.63076
6330.0000 -113.34264 -110.59407 2.74857 1.93517 -110.85585 512.18444
6335.0000 -113.22537 -111.01777 2.20761 1.92612 -110.97208 510.50634
6340.0000 -114.19320 -111.52108 2.67212 1.93473 -110.86149 508.56877
6345.0000 -113.72973 -111.10298 2.62675 1.89794 -111.33386 442.18304
6350.0000 -113.22809 -110.57331 2.65478 1.93810 -110.81819 468.64921
6355.0000 -113.27182 -110.61213 2.65969 1.98306 -110.24102 500.28335
6360.0000 -113.35477 -110.40372 2.95105 1.96203 -110.51094 474.02558
6365.0000 -113.66440 -109.90693 3.75747 1.95434 -110.60975 497.92713
6370.0000 -113.75109 -111.09324 2.65786 1.97789 -110.30745 505.35334
6375.0000 -113.35198 -109.95614 3.39584 1.94805 -110.69047 465.43587
6380.0000 -113.35665 -110.26804 3.08861 1.98391 -110.23013 498.92654
6385.0000 -112.99842 -110.69520 2.30322 1.94643 -110.71123 456.81980
6390.0000 -113.01068 -109.99399 3.01668 2.00265 -109.98947 530.03178
6395.0000 -112.54453 -109.84555 2.69898 1.97297 -110.37058 478.69546
6400.0000 -113.50276 -110.83984 2.66292 1.98471 -110.21987 482.31747
6405.0000 -113.83919 -110.74820 3.09099 1.95281 -110.62936 463.69392
6410.0000 -113.28765 -110.12189 3.16576 1.96791 -110.43554 493.17158
6415.0000 -113.76826 -110.31397 3.45429 1.98992 -110.15296 497.71233
6420.0000 -113.82012 -110.75285 3.06726 1.95451 -110.60755 479.15251
6425.0000 -113.63568 -110.75390 2.88177 1.94011 -110.79240 473.46499
6430.0000 -113.81743 -110.55694 3.26049 1.99272 -110.11703 515.48661
6435.0000 -113.49871 -110.27927 3.21944 1.98987 -110.15357 527.85646
6440.0000 -113.85643 -109.91561 3.94082 1.99638 -110.06999 536.78171
6445.0000 -113.67470 -110.76693 2.90777 2.00518 -109.95698 557.05285
6450.0000 -114.16992 -110.99414 3.17578 1.91599 -111.10203 461.53847
6455.0000 -114.02278 -111.07437 2.94841 1.92003 -111.05022 478.64310
6460.0000 -113.99625 -110.96706 3.02920 1.91399 -111.12772 451.68521
6465.0000 -113.72973 -111.57088 2.15884 1.89422 -111.38152 431.34874
6470.0000 -114.03698 -111.32741 2.70957 1.90089 -111.29589 448.62578
6475.0000 -113.42817 -111.22295 2.20522 1.90015 -111.30549 434.19598
6480.0000 -113.53977 -110.72027 2.81950 1.92353 -111.00522 481.07467
6485.0000 -114.06568 -110.68218 3.38349 1.94981 -110.66787 514.57108
6490.0000 -114.28591 -111.40182 2.88409 1.91383 -111.12982 500.28141
6495.0000 -114.58134 -111.99748 2.58386 1.87504 -111.62783 446.05329
6500.0000 -113.63873 -110.65492 2.98381 1.87976 -111.56722 461.31671
FREEZING PROCESS: loop number 27 T-loop= 455.00000000000000
main_MD> interactions number 27 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31378 -1.12555 0.25730
force_rgl> df(natom) 0.81654 -1.37903 -1.27474
6505.0000 -114.05744 -110.70392 3.35352 1.95506 -110.60049 521.96964
6510.0000 -114.29077 -111.25542 3.03536 1.94685 -110.70589 521.88847
6515.0000 -113.96032 -111.52863 2.43169 1.87982 -111.56645 466.90150
6520.0000 -114.44122 -111.51855 2.92267 1.89986 -111.30922 488.17815
6525.0000 -113.96591 -110.98902 2.97690 1.90550 -111.23670 473.68938
6530.0000 -114.57635 -111.97531 2.60105 1.89405 -111.38374 460.00556
6535.0000 -114.87355 -112.11184 2.76171 1.83972 -112.08124 428.51353
6540.0000 -114.37886 -111.76944 2.60942 1.83885 -112.09235 418.95039
6545.0000 -114.63235 -111.76694 2.86541 1.87277 -111.65690 463.98118
6550.0000 -113.90796 -111.98499 1.92296 1.86946 -111.69937 453.24755
6555.0000 -114.56036 -111.53260 3.02776 1.85210 -111.92233 436.11553
6560.0000 -114.15779 -110.95010 3.20769 1.90912 -111.19024 446.88249
6565.0000 -113.97257 -111.30770 2.66487 1.94828 -110.68754 471.85593
6570.0000 -113.45587 -110.60521 2.85066 1.93078 -110.91223 457.92870
6575.0000 -113.87132 -111.02893 2.84240 1.95374 -110.61742 493.70834
6580.0000 -113.54786 -110.39604 3.15182 1.93536 -110.85341 465.79480
6585.0000 -113.45154 -110.61755 2.83399 2.00704 -109.93317 524.75467
6590.0000 -113.34713 -110.10235 3.24478 1.96988 -110.41022 499.80162
6595.0000 -112.84372 -109.99493 2.84879 1.97600 -110.33160 482.69509
6600.0000 -112.93171 -110.28015 2.65156 1.98548 -110.20993 477.60243
6605.0000 -112.41268 -109.15343 3.25925 2.01951 -109.77308 498.41210
6610.0000 -113.11666 -110.67977 2.43689 1.99197 -110.12662 485.56804
6615.0000 -113.60049 -110.92331 2.67718 1.94781 -110.69352 461.70455
6620.0000 -112.93552 -109.80368 3.13184 1.98909 -110.16358 494.99602
6625.0000 -113.37293 -110.56616 2.80678 1.99156 -110.13192 499.84145
6630.0000 -113.29495 -109.94596 3.34900 2.00856 -109.91366 509.08017
6635.0000 -113.64079 -110.75128 2.88951 1.97926 -110.28981 502.25016
6640.0000 -113.66547 -110.97836 2.68712 1.94099 -110.78108 520.36680
6645.0000 -114.58122 -111.56501 3.01621 1.90750 -111.21107 497.01251
6650.0000 -114.42585 -111.65935 2.76650 1.88776 -111.46446 481.86395
6655.0000 -114.35611 -111.66492 2.69119 1.86024 -111.81783 428.65452
6660.0000 -114.07769 -111.33976 2.73792 1.88547 -111.49389 452.25004
6665.0000 -113.62963 -111.38784 2.24179 1.91207 -111.15238 497.60799
6670.0000 -114.28219 -111.51924 2.76295 1.92987 -110.92383 519.37774
6675.0000 -114.35881 -111.70097 2.65783 1.86386 -111.77132 445.10442
6680.0000 -114.59259 -112.07764 2.51495 1.86018 -111.81858 432.04292
6685.0000 -114.12296 -111.63536 2.48759 1.85909 -111.83256 450.19786
6690.0000 -114.86305 -112.13621 2.72684 1.83236 -112.17574 420.14643
6695.0000 -114.93516 -112.50439 2.43077 1.81642 -112.38033 409.45659
6700.0000 -114.43199 -111.95628 2.47572 1.83653 -112.12220 419.35293
6705.0000 -114.70338 -112.07217 2.63121 1.85906 -111.83296 446.14835
6710.0000 -114.98446 -111.89387 3.09058 1.84475 -112.01662 442.43238
6715.0000 -115.16680 -112.20814 2.95866 1.86070 -111.81196 449.17428
6720.0000 -114.46555 -111.63988 2.82567 1.84183 -112.05410 425.93477
6725.0000 -114.37153 -111.77352 2.59801 1.86728 -111.72737 454.76307
6730.0000 -113.53405 -110.51045 3.02361 1.89262 -111.40214 463.61098
6735.0000 -114.72260 -111.49821 3.22440 1.91660 -111.09427 495.30548
6740.0000 -114.20392 -111.45269 2.75123 1.88399 -111.51293 484.02094
6745.0000 -114.61892 -112.16025 2.45867 1.86513 -111.75499 457.68434
6750.0000 -114.55541 -111.69980 2.85561 1.81877 -112.35018 410.81988
FREEZING PROCESS: loop number 28 T-loop= 430.00000000000000
main_MD> interactions number 28 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.41986 -0.55284 -1.20235
force_rgl> df(natom) 1.15651 -2.24338 1.40819
6755.0000 -114.58020 -112.03981 2.54039 1.86993 -111.69338 460.64170
6760.0000 -114.03796 -111.81980 2.21816 1.83133 -112.18899 422.52929
6765.0000 -114.68441 -112.38178 2.30263 1.81545 -112.39279 408.52982
6770.0000 -115.36487 -113.09574 2.26913 1.80031 -112.58726 398.09279
6775.0000 -114.40481 -111.94859 2.45622 1.79641 -112.63726 389.49509
6780.0000 -114.86839 -112.78809 2.08030 1.81801 -112.36002 422.89802
6785.0000 -114.69470 -111.86841 2.82629 1.83559 -112.13426 428.11178
6790.0000 -114.90562 -112.61345 2.29217 1.84008 -112.07659 431.51221
6795.0000 -114.98167 -111.92628 3.05538 1.82601 -112.25725 421.15782
6800.0000 -114.15510 -111.34437 2.81073 1.88580 -111.48960 468.90945
6805.0000 -114.96474 -112.51245 2.45228 1.83003 -112.20567 418.15421
6810.0000 -114.64541 -112.25968 2.38573 1.82181 -112.31114 419.08879
6815.0000 -114.64497 -112.18214 2.46283 1.84518 -112.01114 432.99875
6820.0000 -114.70266 -112.56900 2.13366 1.81569 -112.38978 407.12860
6825.0000 -114.79466 -112.17178 2.62288 1.81822 -112.35731 421.95241
6830.0000 -114.44386 -111.68558 2.75829 1.88309 -111.52450 466.90607
6835.0000 -114.52140 -111.60249 2.91891 1.88689 -111.47571 473.85275
6840.0000 -114.19478 -111.86379 2.33098 1.86578 -111.74662 448.97826
6845.0000 -114.55607 -111.93272 2.62335 1.85855 -111.83950 453.99888
6850.0000 -114.43943 -112.14662 2.29281 1.85020 -111.94676 444.30890
6855.0000 -114.90806 -111.99176 2.91631 1.86717 -111.72880 459.66178
6860.0000 -114.38062 -112.44203 1.93859 1.83703 -112.11577 438.76345
6865.0000 -114.92084 -112.78363 2.13721 1.79743 -112.62416 393.08245
6870.0000 -114.36185 -112.00102 2.36084 1.83232 -112.17624 430.35138
6875.0000 -115.00711 -112.40317 2.60395 1.81576 -112.38886 411.99411
6880.0000 -114.56935 -112.29674 2.27261 1.82919 -112.21642 417.45549
6885.0000 -115.19792 -112.53121 2.66671 1.79082 -112.70902 383.70120
6890.0000 -114.77970 -112.16561 2.61408 1.82480 -112.27277 426.88442
6895.0000 -114.11659 -111.90389 2.21270 1.85425 -111.89475 445.32561
6900.0000 -114.22002 -111.73580 2.48423 1.84684 -111.98984 437.21227
6905.0000 -114.68884 -112.05641 2.63243 1.80559 -112.51941 399.01567
6910.0000 -114.70625 -112.09687 2.60938 1.84903 -111.96174 442.51538
6915.0000 -114.62767 -112.45859 2.16908 1.84956 -111.95489 445.93188
6920.0000 -115.00884 -112.19233 2.81650 1.83297 -112.16789 412.54310
6925.0000 -115.07114 -112.24448 2.82666 1.82430 -112.27918 411.22751
6930.0000 -114.32980 -111.57102 2.75879 1.84300 -112.03915 426.90792
6935.0000 -114.14336 -110.89371 3.24965 1.89939 -111.31524 488.20605
6940.0000 -114.50944 -111.48553 3.02391 1.91642 -111.09651 500.28003
6945.0000 -114.74492 -111.92160 2.82332 1.87942 -111.57160 467.79851
6950.0000 -115.09927 -112.93718 2.16209 1.80082 -112.58071 395.10004
6955.0000 -114.54548 -112.54657 1.99891 1.77665 -112.89100 365.84670
6960.0000 -114.58784 -112.11599 2.47185 1.81327 -112.42084 393.04428
6965.0000 -115.01179 -111.88055 3.13124 1.85902 -111.83345 460.68121
6970.0000 -114.75637 -112.16249 2.59388 1.84823 -111.97195 443.53778
6975.0000 -114.44201 -111.67032 2.77169 1.84649 -111.99434 428.90502
6980.0000 -114.84721 -112.74405 2.10316 1.82735 -112.24001 419.90614
6985.0000 -114.35067 -112.11643 2.23424 1.82506 -112.26947 412.34574
6990.0000 -114.50816 -112.35309 2.15507 1.83431 -112.15069 421.29528
6995.0000 -114.59418 -111.81265 2.78153 1.81938 -112.34238 405.84405
7000.0000 -114.28952 -111.74209 2.54743 1.86072 -111.81163 447.12170
FREEZING PROCESS: loop number 29 T-loop= 405.00000000000000
main_MD> interactions number 29 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70787 -1.67704 -4.78757
force_rgl> df(natom) -1.25198 2.29411 0.10163
7005.0000 -114.16069 -111.98442 2.17627 1.84613 -111.99897 430.66781
7010.0000 -115.20790 -112.67090 2.53701 1.83118 -112.19086 413.38213
7015.0000 -114.76837 -112.65445 2.11392 1.79733 -112.62548 383.71579
7020.0000 -114.31130 -111.46937 2.84193 1.87045 -111.68675 465.75891
7025.0000 -115.31473 -112.72010 2.59463 1.84608 -111.99961 436.54489
7030.0000 -114.92977 -112.58506 2.34471 1.81256 -112.42995 394.62036
7035.0000 -114.79834 -112.39422 2.40412 1.80254 -112.55851 395.87595
7040.0000 -114.65703 -112.41288 2.24414 1.82041 -112.32916 413.84979
7045.0000 -114.67903 -112.45432 2.22471 1.80823 -112.48551 406.43654
7050.0000 -114.92191 -112.90417 2.01775 1.78990 -112.72079 378.41220
7055.0000 -114.98376 -112.97092 2.01284 1.78399 -112.79670 373.65605
7060.0000 -115.09676 -112.97058 2.12618 1.78437 -112.79184 380.38637
7065.0000 -115.55619 -113.34253 2.21366 1.74373 -113.31365 336.24929
7070.0000 -115.36179 -112.97267 2.38912 1.74131 -113.34471 332.26241
7075.0000 -114.94610 -112.77698 2.16913 1.75925 -113.11434 343.44783
7080.0000 -114.91975 -112.70859 2.21116 1.79804 -112.61636 387.50195
7085.0000 -114.82332 -112.95594 1.86738 1.79334 -112.67664 391.32251
7090.0000 -114.92992 -112.89148 2.03843 1.77767 -112.87780 367.45699
7095.0000 -114.84041 -112.39982 2.44059 1.79161 -112.69896 379.82435
7100.0000 -114.91791 -112.35821 2.55970 1.83880 -112.09303 429.71074
7105.0000 -115.21203 -112.86684 2.34519 1.81828 -112.35644 406.54122
7110.0000 -114.73620 -111.81035 2.92585 1.84354 -112.03215 447.50997
7115.0000 -114.46513 -112.24513 2.22001 1.82647 -112.25138 420.40871
7120.0000 -114.20295 -111.79530 2.40765 1.84753 -111.98099 438.66961
7125.0000 -114.96451 -112.39749 2.56702 1.86426 -111.76621 452.93156
7130.0000 -114.43255 -112.34204 2.09051 1.82883 -112.22109 425.21012
7135.0000 -114.39523 -112.21530 2.17992 1.82003 -112.33405 412.56631
7140.0000 -115.01283 -112.63289 2.37993 1.81144 -112.44436 402.25788
7145.0000 -114.73900 -111.83136 2.90763 1.83063 -112.19791 417.58374
7150.0000 -114.94552 -112.52893 2.41659 1.83487 -112.14349 428.13137
7155.0000 -114.34632 -111.96967 2.37666 1.83392 -112.15570 435.73611
7160.0000 -114.97022 -112.80289 2.16732 1.82402 -112.28286 411.09088
7165.0000 -114.65027 -112.00351 2.64676 1.79437 -112.66346 375.94283
7170.0000 -114.55690 -112.16557 2.39134 1.82749 -112.23831 417.71500
7175.0000 -113.96881 -111.53971 2.42910 1.88238 -111.53357 469.18581
7180.0000 -114.95616 -112.48999 2.46617 1.84258 -112.04458 441.10230
7185.0000 -114.89301 -112.53134 2.36167 1.82634 -112.25299 418.14377
7190.0000 -115.51716 -113.57314 1.94401 1.77540 -112.90695 369.27421
7195.0000 -115.59138 -113.42011 2.17127 1.73404 -113.43797 326.66083
7200.0000 -115.15334 -113.08030 2.07304 1.75370 -113.18560 352.89755
7205.0000 -115.19078 -112.86542 2.32536 1.80572 -112.51770 396.25061
7210.0000 -115.14021 -112.99841 2.14180 1.76922 -112.98631 364.19789
7215.0000 -114.93224 -113.10951 1.82273 1.77203 -112.95027 362.09293
7220.0000 -115.07306 -112.28264 2.79042 1.78341 -112.80420 373.95349
7225.0000 -115.11951 -112.22837 2.89114 1.81903 -112.34682 410.94627
7230.0000 -114.95589 -112.50042 2.45548 1.82262 -112.30080 406.40298
7235.0000 -114.58802 -112.48813 2.09988 1.81336 -112.41960 385.84926
7240.0000 -114.76088 -112.00745 2.75344 1.80412 -112.53824 374.63089
7245.0000 -114.41866 -111.89387 2.52479 1.85836 -111.84195 438.21706
7250.0000 -114.61551 -112.03000 2.58551 1.84772 -111.97849 400.92991
FREEZING PROCESS: loop number 30 T-loop= 380.00000000000000
main_MD> interactions number 30 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09594 2.05623 -3.58200
force_rgl> df(natom) 2.31090 1.00823 0.61333
7255.0000 -114.70671 -112.13382 2.57289 1.80837 -112.48373 362.45604
7260.0000 -114.43276 -112.09043 2.34233 1.85765 -111.85106 426.83840
7265.0000 -114.66654 -112.63956 2.02697 1.82772 -112.23536 410.14414
7270.0000 -115.10299 -112.68733 2.41565 1.80203 -112.56507 389.26853
7275.0000 -114.79046 -112.66803 2.12244 1.78617 -112.76868 373.49141
7280.0000 -115.24485 -112.88225 2.36260 1.79113 -112.70511 384.83959
7285.0000 -114.98879 -112.19730 2.79150 1.76766 -113.00640 366.47355
7290.0000 -114.97557 -113.00943 1.96614 1.78714 -112.75631 374.62675
7295.0000 -115.47535 -113.70170 1.77365 1.73915 -113.37245 333.31328
7300.0000 -115.20072 -113.20276 1.99796 1.73156 -113.46978 325.46386
7305.0000 -115.34446 -113.56633 1.77813 1.74507 -113.29638 339.44427
7310.0000 -115.25505 -112.91294 2.34211 1.75253 -113.20064 343.43226
7315.0000 -114.82613 -112.42802 2.39811 1.79742 -112.62437 389.80049
7320.0000 -114.57288 -112.52866 2.04422 1.82415 -112.28120 414.99886
7325.0000 -114.79414 -112.17128 2.62286 1.83421 -112.15205 429.29905
7330.0000 -115.02181 -112.98103 2.04078 1.80839 -112.48347 395.47370
7335.0000 -115.16352 -112.84066 2.32286 1.77546 -112.90623 364.20040
7340.0000 -114.87783 -112.64681 2.23102 1.77080 -112.96602 364.00149
7345.0000 -115.16997 -112.63365 2.53632 1.79805 -112.61621 388.02670
7350.0000 -115.03879 -112.95124 2.08755 1.78092 -112.83608 374.70562
7355.0000 -114.96643 -112.75646 2.20997 1.79824 -112.61375 388.40939
7360.0000 -115.37158 -112.74297 2.62861 1.79143 -112.70127 386.26241
7365.0000 -115.44746 -113.54723 1.90023 1.75845 -113.12464 358.90807
7370.0000 -115.27690 -113.13488 2.14203 1.74315 -113.32098 339.00398
7375.0000 -114.75501 -112.76951 1.98550 1.75976 -113.10783 358.12517
7380.0000 -115.13026 -113.04381 2.08645 1.78540 -112.77866 379.80944
7385.0000 -115.29139 -112.82102 2.47036 1.78889 -112.73382 382.40410
7390.0000 -114.91729 -112.38249 2.53480 1.77819 -112.87122 368.00310
7395.0000 -115.14248 -112.79844 2.34405 1.81386 -112.41325 405.42846
7400.0000 -114.46661 -112.13222 2.33439 1.81565 -112.39030 401.81007
7405.0000 -114.82797 -112.76566 2.06231 1.82249 -112.30244 406.04984
7410.0000 -115.09025 -112.15971 2.93054 1.82361 -112.28809 401.30738
7415.0000 -114.88109 -112.51791 2.36318 1.81016 -112.46075 399.01665
7420.0000 -114.47146 -112.39385 2.07761 1.81240 -112.43193 409.16310
7425.0000 -115.05826 -112.40997 2.64829 1.81431 -112.40748 415.72156
7430.0000 -114.26356 -112.08146 2.18210 1.82743 -112.23908 412.30364
7435.0000 -114.81523 -112.35790 2.45732 1.84391 -112.02741 407.00219
7440.0000 -114.33611 -112.45593 1.88018 1.81336 -112.41964 372.41837
7445.0000 -114.54976 -112.38453 2.16523 1.80494 -112.52772 363.70564
7450.0000 -114.86327 -112.46868 2.39459 1.81693 -112.37382 382.20365
7455.0000 -114.54449 -112.66467 1.87982 1.79797 -112.61724 364.53871
7460.0000 -114.78227 -112.24927 2.53300 1.81473 -112.40212 385.80851
7465.0000 -114.52819 -112.17546 2.35273 1.82124 -112.31848 384.92130
7470.0000 -114.69551 -112.46686 2.22865 1.80207 -112.56462 363.09155
7475.0000 -114.91696 -112.22362 2.69333 1.81211 -112.43573 377.84882
7480.0000 -114.94688 -112.74770 2.19918 1.82139 -112.31652 401.50561
7485.0000 -114.71678 -112.38904 2.32774 1.79181 -112.69630 365.62438
7490.0000 -115.07053 -112.26596 2.80457 1.81277 -112.42718 405.40841
7495.0000 -115.22797 -112.85950 2.36848 1.79749 -112.62346 389.81973
7500.0000 -114.71567 -112.44460 2.27107 1.79461 -112.66032 384.72978
FREEZING PROCESS: loop number 31 T-loop= 355.00000000000000
main_MD> interactions number 31 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23487 0.64181 1.81616
force_rgl> df(natom) 0.74841 0.68816 1.60986
7505.0000 -114.96130 -113.04941 1.91189 1.78972 -112.72314 381.56180
7510.0000 -115.16261 -112.89765 2.26495 1.78065 -112.83959 375.42978
7515.0000 -115.22102 -113.04692 2.17410 1.74781 -113.26119 343.44470
7520.0000 -115.04686 -113.04326 2.00360 1.75228 -113.20377 341.71933
7525.0000 -115.03551 -112.89341 2.14210 1.75380 -113.18434 347.81346
7530.0000 -115.09982 -113.08848 2.01134 1.76658 -113.02020 356.60149
7535.0000 -114.81095 -112.82088 1.99008 1.75348 -113.18845 342.55095
7540.0000 -115.24571 -113.57980 1.66591 1.74681 -113.27401 343.02264
7545.0000 -115.51934 -113.55620 1.96314 1.71918 -113.62881 309.85970
7550.0000 -115.10365 -113.45244 1.65121 1.72416 -113.56485 318.44496
7555.0000 -115.05263 -112.71035 2.34229 1.76680 -113.01735 369.45636
7560.0000 -115.16251 -112.94206 2.22045 1.77793 -112.87454 374.25802
7565.0000 -115.40518 -113.31959 2.08558 1.77526 -112.90877 365.70817
7570.0000 -115.18621 -113.04999 2.13622 1.74144 -113.34297 336.19514
7575.0000 -114.91607 -112.80571 2.11036 1.77779 -112.87631 375.24000
7580.0000 -114.64469 -112.00349 2.64120 1.82589 -112.25876 426.96045
7585.0000 -114.41074 -111.96188 2.44886 1.85120 -111.93384 440.02906
7590.0000 -114.82030 -112.89351 1.92679 1.80782 -112.49075 383.93876
7595.0000 -114.75610 -112.72991 2.02619 1.76604 -113.02713 330.88977
7600.0000 -114.46272 -111.91209 2.55062 1.80164 -112.57010 369.20943
7605.0000 -114.78834 -112.69810 2.09024 1.85276 -111.91387 414.91403
7610.0000 -114.33772 -112.39811 1.93961 1.80100 -112.57837 349.74887
7615.0000 -115.50080 -113.27270 2.22810 1.77115 -112.96160 340.73258
7620.0000 -115.12263 -113.37589 1.74675 1.77549 -112.90581 365.47578
7625.0000 -115.14030 -113.18003 1.96027 1.73077 -113.47991 328.41399
7630.0000 -115.06124 -113.24589 1.81535 1.74010 -113.36022 333.13963
7635.0000 -115.50222 -113.75466 1.74756 1.72441 -113.56169 318.01372
7640.0000 -114.80686 -112.53954 2.26732 1.75239 -113.20246 346.82425
7645.0000 -114.97135 -112.75412 2.21722 1.78518 -112.78144 378.97539
7650.0000 -114.91255 -112.48814 2.42441 1.78669 -112.76208 378.91911
7655.0000 -115.08744 -113.03351 2.05393 1.78174 -112.82565 370.54964
7660.0000 -115.33364 -113.36062 1.97302 1.74162 -113.34074 339.65736
7665.0000 -115.49265 -113.23076 2.26189 1.74622 -113.28156 337.73117
7670.0000 -114.98030 -113.46787 1.51243 1.73786 -113.38895 332.25377
7675.0000 -114.83682 -112.92817 1.90865 1.76255 -113.07192 359.72846
7680.0000 -114.88961 -113.11133 1.77828 1.76567 -113.03197 356.90290
7685.0000 -115.13652 -113.03780 2.09873 1.77567 -112.90358 369.31998
7690.0000 -115.20227 -113.33347 1.86880 1.74407 -113.30917 342.80688
7695.0000 -115.06557 -113.09423 1.97135 1.76582 -113.02997 363.19903
7700.0000 -114.85427 -112.70310 2.15117 1.78089 -112.83648 377.13709
7705.0000 -115.29895 -112.76468 2.53427 1.76833 -112.99781 362.11909
7710.0000 -115.29932 -113.28123 2.01809 1.75829 -113.12660 349.98589
7715.0000 -115.28588 -113.43554 1.85034 1.74651 -113.27784 334.50804
7720.0000 -114.90418 -112.70551 2.19866 1.77756 -112.87932 369.51678
7725.0000 -115.21172 -113.21555 1.99616 1.76611 -113.02627 351.84218
7730.0000 -114.95743 -112.90161 2.05582 1.74052 -113.35478 330.59331
7735.0000 -115.37041 -113.61978 1.75063 1.74846 -113.25293 341.54499
7740.0000 -115.33374 -113.37838 1.95536 1.72375 -113.57008 319.19759
7745.0000 -115.61083 -113.20289 2.40794 1.76494 -113.04128 355.53263
7750.0000 -115.42171 -112.96658 2.45513 1.76970 -112.98017 364.53563
FREEZING PROCESS: loop number 32 T-loop= 330.00000000000000
main_MD> interactions number 32 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52998 -1.27603 0.33903
force_rgl> df(natom) -0.08541 -1.95502 0.35926
7755.0000 -115.43344 -113.57380 1.85965 1.75452 -113.17510 345.48131
7760.0000 -115.14357 -113.30862 1.83495 1.74328 -113.31933 336.43539
7765.0000 -115.00827 -113.08608 1.92219 1.77015 -112.97439 357.05756
7770.0000 -115.25986 -112.86965 2.39021 1.76754 -113.00787 356.59159
7775.0000 -115.09405 -113.32263 1.77142 1.79494 -112.65615 381.21184
7780.0000 -115.10150 -112.64129 2.46021 1.77514 -112.91037 373.90563
7785.0000 -115.10514 -113.20961 1.89553 1.76086 -113.09366 342.00629
7790.0000 -115.60363 -113.58486 2.01877 1.72547 -113.54801 316.94229
7795.0000 -115.37347 -113.31288 2.06059 1.70676 -113.78822 298.85471
7800.0000 -115.27356 -113.49680 1.77676 1.74706 -113.27087 342.33470
7805.0000 -116.15751 -114.26743 1.89008 1.70040 -113.86987 294.90094
7810.0000 -115.55002 -113.81217 1.73785 1.70818 -113.77003 304.61672
7815.0000 -115.56399 -113.59155 1.97244 1.70202 -113.84906 296.20906
7820.0000 -115.03306 -113.11904 1.91402 1.71220 -113.71834 310.06470
7825.0000 -115.32217 -113.35684 1.96533 1.74894 -113.24668 350.14290
7830.0000 -115.07236 -113.05677 2.01558 1.76725 -113.01167 359.71337
7835.0000 -115.20152 -113.11108 2.09044 1.73503 -113.42534 324.30246
7840.0000 -115.32398 -113.55822 1.76576 1.75044 -113.22739 337.84154
7845.0000 -115.02626 -113.07570 1.95056 1.74628 -113.28083 342.53856
7850.0000 -115.44433 -113.81911 1.62521 1.74076 -113.35174 330.91362
7855.0000 -115.67604 -113.93166 1.74438 1.70684 -113.78722 298.62008
7860.0000 -115.77136 -113.95454 1.81682 1.69827 -113.89721 293.56585
7865.0000 -115.56160 -113.60458 1.95702 1.71621 -113.66691 314.44652
7870.0000 -115.48961 -113.02795 2.46166 1.72343 -113.57419 312.93540
7875.0000 -115.52089 -113.60437 1.91653 1.75456 -113.17458 350.84771
7880.0000 -115.36208 -113.91881 1.44328 1.71339 -113.70312 309.33888
7885.0000 -115.42976 -113.98686 1.44290 1.68673 -114.04542 280.00881
7890.0000 -115.15710 -113.32697 1.83014 1.71359 -113.70058 308.82344
7895.0000 -114.91390 -112.89056 2.02334 1.78598 -112.77122 375.15263
7900.0000 -115.59047 -113.31046 2.28001 1.76683 -113.01705 365.30632
7905.0000 -115.52707 -113.67200 1.85508 1.73082 -113.47934 324.12436
7910.0000 -115.59921 -113.43368 2.16553 1.72578 -113.54405 322.33407
7915.0000 -115.53517 -113.40193 2.13324 1.73679 -113.40269 330.24127
7920.0000 -115.33375 -113.57548 1.75827 1.73526 -113.42236 331.50895
7925.0000 -115.19519 -113.33691 1.85828 1.72571 -113.54490 320.78725
7930.0000 -115.52692 -113.22988 2.29703 1.74751 -113.26512 340.80317
7935.0000 -115.26543 -113.17771 2.08772 1.74429 -113.30644 340.17012
7940.0000 -115.47587 -113.21962 2.25624 1.74996 -113.23361 343.35183
7945.0000 -115.42197 -113.03860 2.38336 1.76556 -113.03332 359.25906
7950.0000 -115.57912 -113.85699 1.72213 1.72960 -113.49505 324.18728
7955.0000 -115.21350 -113.34051 1.87300 1.72846 -113.50966 317.91207
7960.0000 -115.47970 -113.53283 1.94688 1.74657 -113.27713 338.14593
7965.0000 -115.01970 -113.29178 1.72792 1.74352 -113.31625 337.97085
7970.0000 -115.73671 -113.91570 1.82101 1.73499 -113.42582 324.25886
7975.0000 -115.63543 -113.91987 1.71557 1.70737 -113.78043 300.29378
7980.0000 -115.28456 -113.59290 1.69166 1.71400 -113.69524 306.38443
7985.0000 -115.21751 -113.03058 2.18693 1.73660 -113.40507 325.10109
7990.0000 -115.36730 -113.62745 1.73985 1.74776 -113.26188 339.51122
7995.0000 -115.58575 -114.01109 1.57466 1.70847 -113.76630 300.97326
8000.0000 -115.52552 -113.75992 1.76559 1.70924 -113.75637 301.48607
FREEZING PROCESS: loop number 33 T-loop= 305.00000000000000
main_MD> interactions number 33 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22359 1.78332 0.23357
force_rgl> df(natom) -3.82540 -1.43420 -1.04412
8005.0000 -115.85215 -113.84808 2.00407 1.70515 -113.80895 294.51794
8010.0000 -115.61733 -113.63095 1.98639 1.69907 -113.88700 294.99788
8015.0000 -115.20766 -113.09458 2.11307 1.74061 -113.35370 329.85551
8020.0000 -115.07045 -113.05780 2.01265 1.75620 -113.15352 348.49385
8025.0000 -115.53964 -113.76313 1.77651 1.71497 -113.68282 311.81195
8030.0000 -115.32569 -113.75697 1.56872 1.69161 -113.98270 286.91506
8035.0000 -115.90321 -114.20515 1.69806 1.70463 -113.81551 300.62529
8040.0000 -115.17979 -113.81662 1.36317 1.70142 -113.85678 292.99880
8045.0000 -115.67305 -113.83003 1.84302 1.68869 -114.02019 278.73550
8050.0000 -115.41584 -113.76290 1.65294 1.71770 -113.64774 311.48417
8055.0000 -115.47272 -113.21402 2.25871 1.72629 -113.53752 322.30618
8060.0000 -115.47288 -113.50209 1.97079 1.74150 -113.34226 338.04263
8065.0000 -115.41966 -113.84497 1.57468 1.71939 -113.62609 311.53126
8070.0000 -115.22466 -113.70728 1.51738 1.71802 -113.64360 313.06918
8075.0000 -115.63913 -113.95711 1.68201 1.71358 -113.70070 307.65045
8080.0000 -115.48167 -113.64887 1.83280 1.70987 -113.74826 305.12508
8085.0000 -115.24655 -113.55964 1.68691 1.71963 -113.62293 313.14565
8090.0000 -115.50485 -113.78679 1.71806 1.71418 -113.69292 306.37838
8095.0000 -115.56496 -113.98892 1.57603 1.69161 -113.98277 283.61837
8100.0000 -115.39268 -113.57557 1.81712 1.69472 -113.94282 287.35687
8105.0000 -115.78170 -114.05146 1.73024 1.69293 -113.96575 284.39630
8110.0000 -115.87685 -113.89877 1.97808 1.69678 -113.91638 289.97624
8115.0000 -115.45780 -113.41839 2.03942 1.70422 -113.82078 298.86071
8120.0000 -114.86114 -113.27605 1.58509 1.72669 -113.53236 314.51949
8125.0000 -115.62002 -113.59704 2.02298 1.74241 -113.33052 330.54429
8130.0000 -115.42165 -113.44814 1.97351 1.72322 -113.57694 316.39533
8135.0000 -115.47886 -113.64518 1.83368 1.73038 -113.48502 322.88701
8140.0000 -116.01166 -113.98562 2.02604 1.72160 -113.59766 312.57899
8145.0000 -115.31374 -113.45879 1.85496 1.72696 -113.52886 320.75480
8150.0000 -115.22032 -113.64450 1.57581 1.72816 -113.51353 323.16848
8155.0000 -115.98082 -113.80587 2.17495 1.72101 -113.60528 310.25780
8160.0000 -115.78275 -114.57119 1.21155 1.67922 -114.14172 271.03115
8165.0000 -114.93877 -113.25835 1.68042 1.69049 -113.99704 279.22077
8170.0000 -115.56167 -113.91618 1.64549 1.70521 -113.80811 297.62571
8175.0000 -115.42132 -113.32570 2.09563 1.71693 -113.65762 304.90295
8180.0000 -115.02241 -113.27335 1.74906 1.73692 -113.40102 335.52539
8185.0000 -115.30671 -113.33547 1.97124 1.73804 -113.38668 331.83266
8190.0000 -115.63882 -113.94171 1.69711 1.71051 -113.74008 303.29969
8195.0000 -115.40040 -113.65182 1.74857 1.70359 -113.82893 299.95347
8200.0000 -115.45047 -113.75890 1.69157 1.71046 -113.74067 305.73560
8205.0000 -115.86437 -114.11683 1.74754 1.70246 -113.84348 294.21172
8210.0000 -115.14039 -113.34718 1.79321 1.70650 -113.79157 299.21235
8215.0000 -115.71492 -113.61356 2.10136 1.72401 -113.56673 321.18588
8220.0000 -115.80589 -114.08226 1.72363 1.70289 -113.83793 297.90462
8225.0000 -115.31330 -113.42956 1.88374 1.70558 -113.80332 300.79390
8230.0000 -115.58065 -113.58691 1.99374 1.72858 -113.50815 319.95638
8235.0000 -115.73243 -113.72691 2.00551 1.73288 -113.45287 326.64154
8240.0000 -115.58774 -113.64003 1.94772 1.71504 -113.68193 307.41420
8245.0000 -115.57773 -114.13732 1.44040 1.69995 -113.87568 293.48714
8250.0000 -115.66387 -113.94379 1.72008 1.68932 -114.01206 287.98945
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 19.3022297 [s].
main_MD> Deallocating global variables
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