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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_43/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_43.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 = 43 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1500
main_MD> Size of nv and nvoiz: 43 4300
main_MD> Size of nv and nvoiz: 43 4300
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 = 43
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.17770583970079351 1.6069242291752359E-002 -0.16714053374756596 initial drift of cluster / NP1 for coalescence
init> 0.34514961700446972 0.31704581814529509 0.27085454667296049 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.4955502198678557E-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) 4.66550 -2.89029 -0.20599
force_rgl> df(natom) 3.12704 1.04468 2.17738
preparo> THERMALIZATION PROCESS AT 1061.7473417097838
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -92.184120098064014 7.1391323042555417 -99.323252402319554 6.1185761017274224E-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 30
FREEZING PROCESS: loop number 1 T-loop= 1035.0000000000000
main_MD> interactions number 1 at Temperature= 1035.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.48944 1.97018 0.25433
force_rgl> df(natom) -0.64492 -1.70328 -2.88006
5.0000 -98.28900 -91.71084 6.57816 2.87558 -91.55575 1242.88989
10.0000 -98.57804 -92.77700 5.80104 2.83322 -92.07561 1159.81492
15.0000 -99.42216 -92.80177 6.62039 2.79543 -92.53949 1136.11470
20.0000 -98.51169 -91.35791 7.15379 2.75646 -93.01774 1123.37802
25.0000 -98.08981 -92.66301 5.42681 2.77527 -92.78684 1129.81208
30.0000 -98.48391 -92.75897 5.72494 2.68843 -93.85278 1062.18633
35.0000 -100.92205 -93.82636 7.09569 2.78136 -92.71213 1205.91240
40.0000 -101.12779 -93.65718 7.47061 2.65942 -94.20880 1086.16112
45.0000 -100.43750 -94.30710 6.13040 2.67767 -93.98477 1081.88514
50.0000 -100.81510 -95.92123 4.89387 2.55360 -95.50760 960.34938
55.0000 -100.23864 -94.36366 5.87499 2.56732 -95.33927 1015.91014
60.0000 -99.95719 -94.16439 5.79280 2.65321 -94.28507 1036.27566
65.0000 -102.01313 -95.77072 6.24241 2.63383 -94.52289 1053.41527
70.0000 -100.86347 -94.99076 5.87271 2.58604 -95.10948 995.92920
75.0000 -98.60886 -92.92878 5.68007 2.75445 -93.04244 1133.07302
80.0000 -100.47705 -92.87228 7.60476 2.81737 -92.27013 1181.59660
85.0000 -99.30016 -93.44592 5.85424 2.77420 -92.80004 1143.47443
90.0000 -99.50963 -94.35355 5.15608 2.75388 -93.04949 1058.55846
95.0000 -101.16054 -94.51419 6.64636 2.62543 -94.62606 1022.94862
100.0000 -99.82928 -93.29729 6.53200 2.63914 -94.45769 1070.13380
105.0000 -101.93521 -95.98935 5.94586 2.65350 -94.28151 1051.49379
110.0000 -99.54948 -93.96330 5.58618 2.61709 -94.72838 1055.27189
115.0000 -99.60714 -93.59246 6.01469 2.74117 -93.20540 1124.84556
120.0000 -100.04334 -94.12112 5.92222 2.73770 -93.24804 1141.92606
125.0000 -100.17001 -95.57064 4.59937 2.57908 -95.19484 1027.24259
130.0000 -100.37855 -94.70392 5.67463 2.61925 -94.70181 1038.50846
135.0000 -99.73386 -94.38060 5.35326 2.59718 -94.97276 1003.06674
140.0000 -98.49722 -91.98951 6.50771 2.77592 -92.77898 1094.45970
145.0000 -100.47445 -95.24136 5.23309 2.72220 -93.43827 1071.89292
150.0000 -100.95662 -94.74860 6.20803 2.61617 -94.73965 1038.54477
155.0000 -100.91574 -96.24214 4.67359 2.61773 -94.72051 1029.12323
160.0000 -100.21878 -96.35648 3.86229 2.46863 -96.55051 881.06203
165.0000 -102.44766 -96.76424 5.68342 2.45227 -96.75139 882.25765
170.0000 -101.90534 -97.39229 4.51305 2.44575 -96.83133 912.99832
175.0000 -101.28561 -94.97250 6.31311 2.47531 -96.46856 960.04538
180.0000 -100.15785 -94.53232 5.62553 2.61633 -94.73769 1038.53360
185.0000 -100.67135 -93.82878 6.84257 2.61706 -94.72872 1051.15549
190.0000 -99.42804 -94.06136 5.36668 2.67751 -93.98672 1089.41874
195.0000 -101.28078 -96.11861 5.16218 2.57361 -95.26200 1033.94027
200.0000 -100.55392 -93.74693 6.80699 2.56387 -95.38162 996.66536
205.0000 -99.73883 -92.94572 6.79311 2.72088 -93.45451 1094.57846
210.0000 -100.28746 -94.67771 5.60975 2.72563 -93.39618 1106.60268
215.0000 -100.05151 -94.29567 5.75583 2.63916 -94.45746 1059.12357
220.0000 -98.70478 -92.98970 5.71508 2.69622 -93.75719 1087.67061
225.0000 -98.77119 -92.61568 6.15551 2.80845 -92.37964 1209.27165
230.0000 -99.52199 -92.72439 6.79761 2.76295 -92.93817 1129.58383
235.0000 -99.51835 -94.20217 5.31618 2.70128 -93.69500 1110.32410
240.0000 -99.03395 -93.31575 5.71820 2.65680 -94.24096 1081.23337
245.0000 -99.24000 -94.16979 5.07021 2.67182 -94.05658 1038.51224
250.0000 -100.75586 -95.94528 4.81058 2.62058 -94.68550 1010.31756
FREEZING PROCESS: loop number 2 T-loop= 1010.0000000000000
main_MD> interactions number 2 at Temperature= 1010.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.01435 -0.54912 -1.77354
force_rgl> df(natom) 5.11124 4.04539 1.75565
255.0000 -100.24130 -92.82533 7.41597 2.59255 -95.02951 1010.40363
260.0000 -100.37075 -94.62334 5.74741 2.65157 -94.30519 1057.96542
265.0000 -101.14738 -95.01503 6.13235 2.61688 -94.73096 1047.92777
270.0000 -101.32040 -95.87497 5.44543 2.52373 -95.87429 951.84653
275.0000 -99.45888 -94.06507 5.39381 2.53770 -95.70279 949.56037
280.0000 -99.73384 -93.93353 5.80031 2.65969 -94.20544 1061.78187
285.0000 -101.08754 -96.15674 4.93081 2.58248 -95.15321 1004.23652
290.0000 -100.80939 -95.58657 5.22282 2.50992 -96.04381 914.30853
295.0000 -99.90272 -93.68538 6.21734 2.63746 -94.47841 1069.60703
300.0000 -101.72928 -95.68086 6.04842 2.60607 -94.86357 1073.02956
305.0000 -100.92615 -95.23104 5.69512 2.57779 -95.21073 1045.05575
310.0000 -101.27917 -96.03113 5.24803 2.50473 -96.10746 982.30490
315.0000 -99.34236 -94.16162 5.18074 2.54209 -95.64886 940.75019
320.0000 -101.56378 -95.91419 5.64959 2.57990 -95.18487 985.18300
325.0000 -100.24469 -94.10541 6.13928 2.55799 -95.45369 993.84611
330.0000 -100.41058 -94.34542 6.06516 2.68551 -93.88859 1113.05827
335.0000 -101.10616 -95.51311 5.59305 2.61107 -94.80227 1013.41827
340.0000 -100.94438 -93.81423 7.13015 2.59063 -95.05315 984.01054
345.0000 -100.29240 -95.96891 4.32349 2.59408 -95.01084 1057.36419
350.0000 -99.49987 -93.22573 6.27414 2.57678 -95.22314 991.44648
355.0000 -99.79648 -92.96088 6.83559 2.77799 -92.75347 1094.55959
360.0000 -99.55803 -93.91245 5.64558 2.80355 -92.43974 1176.26132
365.0000 -99.77298 -93.83394 5.93904 2.61693 -94.73028 1020.94079
370.0000 -98.99289 -93.79335 5.19953 2.65853 -94.21979 1025.01812
375.0000 -100.40841 -95.63358 4.77483 2.57873 -95.19921 986.56806
380.0000 -100.91708 -94.49702 6.42005 2.54610 -95.59962 975.76674
385.0000 -99.87306 -95.27509 4.59796 2.56018 -95.42689 949.69099
390.0000 -99.79645 -94.68449 5.11196 2.65415 -94.27354 1020.49608
395.0000 -99.72228 -93.77398 5.94830 2.63718 -94.48177 1010.56627
400.0000 -100.11609 -93.86686 6.24922 2.70977 -93.59088 1123.93607
405.0000 -100.51504 -94.44413 6.07090 2.68749 -93.86431 1070.34597
410.0000 -99.28848 -95.05048 4.23800 2.62683 -94.60878 1048.87413
415.0000 -99.95290 -94.75052 5.20238 2.61034 -94.81119 992.90515
420.0000 -101.09385 -95.20889 5.88497 2.57903 -95.19550 1029.31343
425.0000 -100.84379 -96.06485 4.77895 2.52044 -95.91463 967.60927
430.0000 -101.47607 -95.65844 5.81763 2.52155 -95.90097 950.93259
435.0000 -102.13142 -96.15669 5.97473 2.50936 -96.05066 949.20296
440.0000 -100.52769 -95.15641 5.37128 2.57335 -95.26520 986.50514
445.0000 -100.83689 -95.26612 5.57077 2.51805 -95.94400 928.00477
450.0000 -101.22510 -95.57587 5.64923 2.52417 -95.86889 956.51105
455.0000 -100.82486 -93.96302 6.86184 2.58790 -95.08670 999.13146
460.0000 -99.58885 -93.73612 5.85272 2.65323 -94.28475 1105.45224
465.0000 -101.28608 -95.91196 5.37412 2.58104 -95.17087 1013.53171
470.0000 -100.08072 -95.18893 4.89179 2.55166 -95.53149 985.32599
475.0000 -102.06590 -96.87082 5.19507 2.54967 -95.55592 956.55457
480.0000 -100.85904 -95.17102 5.68802 2.49190 -96.26491 936.99742
485.0000 -101.15573 -95.27032 5.88541 2.58829 -95.08185 1022.78793
490.0000 -100.70122 -95.35730 5.34392 2.62434 -94.63936 1037.71278
495.0000 -100.29503 -96.22899 4.06605 2.53409 -95.74704 940.58543
500.0000 -100.38736 -95.51700 4.87035 2.58916 -95.07121 1003.61385
FREEZING PROCESS: loop number 3 T-loop= 985.00000000000000
main_MD> interactions number 3 at Temperature= 985.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.73021 2.46783 2.69079
force_rgl> df(natom) 1.47543 -0.17338 -0.31667
505.0000 -99.20203 -93.26923 5.93280 2.68582 -93.88475 1064.72915
510.0000 -99.76838 -94.78650 4.98188 2.70089 -93.69982 1046.23259
515.0000 -101.05645 -96.17886 4.87759 2.53902 -95.68664 958.62264
520.0000 -100.62830 -94.87970 5.74860 2.51069 -96.03429 962.09772
525.0000 -101.66118 -96.60942 5.05176 2.60857 -94.83293 1003.68110
530.0000 -100.36136 -95.67607 4.68529 2.48043 -96.40568 935.41443
535.0000 -100.20125 -94.73620 5.46506 2.56301 -95.39219 960.62549
540.0000 -100.95236 -94.98226 5.97010 2.59361 -95.01652 1033.11261
545.0000 -100.77613 -96.33549 4.44064 2.54707 -95.58778 978.03625
550.0000 -101.35245 -96.42484 4.92761 2.51559 -95.97412 959.00565
555.0000 -102.43147 -97.20412 5.22735 2.47052 -96.52739 900.30297
560.0000 -100.76907 -94.63516 6.13391 2.55168 -95.53124 1021.53002
565.0000 -99.89085 -93.93358 5.95727 2.61893 -94.70572 1029.70970
570.0000 -99.17679 -93.27954 5.89725 2.62526 -94.62813 995.67984
575.0000 -100.66526 -95.58545 5.07981 2.63046 -94.56424 996.59375
580.0000 -100.55385 -96.05396 4.49989 2.50807 -96.06644 960.10712
585.0000 -101.12671 -95.06691 6.05980 2.53623 -95.72088 952.12059
590.0000 -100.68455 -95.49144 5.19311 2.55693 -95.46672 1023.93054
595.0000 -101.34412 -94.89704 6.44708 2.58202 -95.15881 1036.37531
600.0000 -99.28913 -93.63063 5.65850 2.64598 -94.37372 1051.47913
605.0000 -101.84834 -95.76485 6.08349 2.63876 -94.46234 1013.31173
610.0000 -99.51498 -93.67182 5.84316 2.61212 -94.78933 1036.16186
615.0000 -99.55961 -94.53499 5.02462 2.64541 -94.38076 1025.21742
620.0000 -101.51587 -96.52682 4.98906 2.53866 -95.69104 942.69116
625.0000 -100.71121 -95.38883 5.32238 2.48849 -96.30677 905.14643
630.0000 -98.42548 -93.23645 5.18903 2.62782 -94.59663 1052.68674
635.0000 -100.32308 -93.97416 6.34892 2.72459 -93.40892 1123.83979
640.0000 -100.44475 -94.95492 5.48983 2.57949 -95.18987 997.42467
645.0000 -99.95352 -94.42554 5.52798 2.61621 -94.73917 979.01539
650.0000 -101.07294 -94.59123 6.48171 2.66096 -94.18988 1063.79244
655.0000 -100.59200 -94.96934 5.62265 2.66062 -94.19407 1054.85580
660.0000 -101.67122 -97.07565 4.59557 2.52855 -95.81514 935.87419
665.0000 -101.66925 -96.59367 5.07557 2.40702 -97.30673 873.66140
670.0000 -100.24842 -94.36072 5.88771 2.52852 -95.81545 953.76675
675.0000 -98.38385 -93.21015 5.17371 2.68683 -93.87235 1003.53800
680.0000 -100.77566 -94.32396 6.45170 2.63740 -94.47914 1032.05481
685.0000 -100.07198 -94.54691 5.52508 2.73480 -93.28362 1083.55023
690.0000 -99.81007 -95.02913 4.78094 2.59836 -94.95824 952.81485
695.0000 -101.86112 -96.02207 5.83905 2.54807 -95.57545 948.82721
700.0000 -101.49086 -97.34703 4.14383 2.42649 -97.06769 847.01224
705.0000 -101.39518 -95.92502 5.47016 2.53056 -95.79036 987.38099
710.0000 -101.60606 -94.60235 7.00370 2.55133 -95.53547 958.58729
715.0000 -101.69334 -95.85094 5.84240 2.57042 -95.30118 997.85038
720.0000 -102.16468 -97.37136 4.79332 2.50592 -96.09289 933.94471
725.0000 -100.72741 -95.20950 5.51791 2.49980 -96.16799 954.10802
730.0000 -100.29059 -95.58945 4.70114 2.54066 -95.66640 952.99760
735.0000 -99.09239 -94.19585 4.89654 2.62700 -94.60668 995.74506
740.0000 -101.10463 -96.33131 4.77332 2.58691 -95.09884 1009.24746
745.0000 -98.55510 -93.31458 5.24052 2.61338 -94.77389 1047.77228
750.0000 -99.00083 -93.69955 5.30128 2.68720 -93.86782 1063.86941
FREEZING PROCESS: loop number 4 T-loop= 960.00000000000000
main_MD> interactions number 4 at Temperature= 960.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.02332 -3.61548 -0.61251
force_rgl> df(natom) 1.49423 3.29289 -2.78740
755.0000 -100.55989 -93.81861 6.74129 2.62409 -94.64245 1020.07090
760.0000 -99.68665 -93.95331 5.73333 2.70420 -93.65920 1069.39506
765.0000 -100.89985 -95.66776 5.23210 2.59206 -95.03558 1040.74094
770.0000 -102.13795 -97.12787 5.01008 2.50117 -96.15114 930.12485
775.0000 -102.33872 -96.09473 6.24399 2.51244 -96.01281 990.13806
780.0000 -101.63309 -96.28790 5.34520 2.52374 -95.87409 960.99549
785.0000 -103.19966 -98.01225 5.18741 2.37693 -97.67602 877.84121
790.0000 -101.40140 -96.03236 5.36904 2.40371 -97.34734 859.59362
795.0000 -101.06455 -94.85981 6.20474 2.55388 -95.50415 967.68114
800.0000 -102.13483 -96.15004 5.98479 2.52097 -95.90809 949.61977
805.0000 -100.77296 -95.18397 5.58899 2.55041 -95.54681 955.18120
810.0000 -100.32381 -94.42961 5.89420 2.58293 -95.14762 1033.73484
815.0000 -101.94389 -96.85330 5.09059 2.53292 -95.76141 960.09974
820.0000 -100.80769 -95.57701 5.23068 2.52539 -95.85393 928.17264
825.0000 -102.30895 -96.82687 5.48208 2.48392 -96.36286 935.78540
830.0000 -101.20018 -95.72728 5.47289 2.44335 -96.86087 933.70435
835.0000 -101.02339 -96.24817 4.77522 2.50405 -96.11582 951.97492
840.0000 -101.81279 -96.33502 5.47777 2.52563 -95.85095 935.13200
845.0000 -103.22777 -98.15979 5.06798 2.38898 -97.52813 855.03634
850.0000 -100.99590 -96.76534 4.23056 2.39873 -97.40851 843.85428
855.0000 -100.58710 -95.41690 5.17020 2.50442 -96.11127 911.06958
860.0000 -101.40042 -95.90014 5.50027 2.61961 -94.69743 1041.53191
865.0000 -101.03900 -94.88167 6.15732 2.54625 -95.59780 957.17776
870.0000 -99.64819 -94.83931 4.80888 2.57324 -95.26651 991.10952
875.0000 -101.03375 -95.20534 5.82841 2.56159 -95.40958 957.63647
880.0000 -102.46313 -96.58037 5.88277 2.51985 -95.92189 898.45365
885.0000 -100.88568 -96.28699 4.59869 2.45530 -96.71411 899.43819
890.0000 -100.85829 -96.15185 4.70644 2.45200 -96.75460 891.78010
895.0000 -101.37948 -94.87556 6.50392 2.59111 -95.04728 970.48182
900.0000 -101.33927 -96.33213 5.00715 2.51017 -96.04068 953.76081
905.0000 -101.96177 -96.03189 5.92988 2.50585 -96.09374 925.75170
910.0000 -100.98983 -94.77168 6.21815 2.51627 -95.96577 992.20738
915.0000 -100.22028 -94.01256 6.20772 2.63833 -94.46771 1043.93798
920.0000 -101.00891 -95.10762 5.90129 2.65776 -94.22922 1063.18706
925.0000 -100.17563 -94.94973 5.22590 2.65947 -94.20823 1061.36898
930.0000 -99.47478 -93.10774 6.36703 2.65373 -94.27865 1033.42935
935.0000 -100.24456 -92.71602 7.52854 2.76710 -92.88712 1153.29715
940.0000 -101.28361 -95.67459 5.60902 2.69819 -93.73296 1090.83488
945.0000 -100.09587 -95.31773 4.77813 2.58359 -95.13954 1018.21659
950.0000 -101.24854 -95.78686 5.46168 2.53877 -95.68968 938.65651
955.0000 -100.30924 -94.66514 5.64410 2.56176 -95.40745 960.44725
960.0000 -100.16143 -95.35213 4.80930 2.54878 -95.56678 951.05247
965.0000 -101.11410 -96.14977 4.96433 2.50348 -96.12283 903.82538
970.0000 -100.84122 -95.75234 5.08888 2.50819 -96.06498 954.28113
975.0000 -101.63341 -96.79240 4.84101 2.48706 -96.32435 941.95324
980.0000 -101.95942 -96.28368 5.67574 2.43335 -96.98353 861.01393
985.0000 -99.36980 -94.67460 4.69520 2.51008 -96.04178 942.49865
990.0000 -101.19336 -95.71792 5.47543 2.58048 -95.17775 987.83705
995.0000 -100.94742 -95.85144 5.09598 2.52209 -95.89434 964.54745
1000.0000 -100.47474 -96.06125 4.41349 2.53813 -95.69748 978.70113
FREEZING PROCESS: loop number 5 T-loop= 935.00000000000000
main_MD> interactions number 5 at Temperature= 935.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.47407 3.51844 -0.07211
force_rgl> df(natom) -2.12355 4.94009 0.44833
1005.0000 -101.55848 -96.58604 4.97243 2.45392 -96.73104 864.13149
1010.0000 -102.68705 -98.12716 4.55990 2.38305 -97.60095 841.40101
1015.0000 -102.18992 -98.22362 3.96629 2.33965 -98.13355 825.41131
1020.0000 -100.78187 -96.97361 3.80826 2.40009 -97.39172 863.73119
1025.0000 -102.05746 -97.23292 4.82454 2.44687 -96.81761 879.70019
1030.0000 -101.69566 -97.15538 4.54027 2.45288 -96.74388 882.41523
1035.0000 -100.13201 -94.73046 5.40154 2.53293 -95.76137 958.63760
1040.0000 -103.10411 -97.00193 6.10218 2.51775 -95.94760 929.70265
1045.0000 -102.56003 -96.32918 6.23085 2.46533 -96.59098 928.65061
1050.0000 -101.37168 -95.53668 5.83500 2.52165 -95.89978 946.14457
1055.0000 -101.09565 -94.92983 6.16582 2.57667 -95.22447 1004.90319
1060.0000 -99.72830 -94.85054 4.87776 2.56125 -95.41371 961.64666
1065.0000 -100.62309 -96.47129 4.15180 2.58599 -95.11006 976.22797
1070.0000 -101.37324 -95.57012 5.80313 2.52670 -95.83780 930.92914
1075.0000 -99.93995 -94.14369 5.79627 2.59010 -95.05959 1027.37234
1080.0000 -99.43684 -94.01984 5.41700 2.64083 -94.43703 1042.52036
1085.0000 -100.44072 -94.39438 6.04634 2.64287 -94.41193 1041.24976
1090.0000 -101.57706 -96.15964 5.41742 2.61444 -94.76089 1039.71452
1095.0000 -103.26610 -96.49562 6.77048 2.42771 -97.05279 897.70681
1100.0000 -100.76346 -95.50217 5.26128 2.49878 -96.18048 930.66356
1105.0000 -100.82472 -95.71780 5.10692 2.48110 -96.39743 917.37712
1110.0000 -99.35044 -95.28246 4.06797 2.58992 -95.06190 990.78792
1115.0000 -100.65895 -95.25172 5.40723 2.57571 -95.23631 961.75499
1120.0000 -100.29006 -95.33400 4.95606 2.58050 -95.17748 973.07125
1125.0000 -101.26805 -95.80701 5.46104 2.57987 -95.18521 996.56648
1130.0000 -101.79183 -96.31038 5.48145 2.48469 -96.35341 958.79887
1135.0000 -101.80926 -95.56541 6.24385 2.52906 -95.80881 998.28600
1140.0000 -101.32676 -94.10672 7.22004 2.56475 -95.37077 999.99455
1145.0000 -101.61247 -96.60334 5.00913 2.59021 -95.05832 1011.61191
1150.0000 -100.21521 -94.93961 5.27560 2.53329 -95.75694 947.23028
1155.0000 -101.45736 -95.89783 5.55952 2.57753 -95.21392 1022.00057
1160.0000 -101.57029 -96.29899 5.27130 2.54408 -95.62444 950.17882
1165.0000 -100.53061 -95.33505 5.19557 2.53646 -95.71800 954.99488
1170.0000 -101.91226 -97.29780 4.61446 2.54028 -95.67113 938.21295
1175.0000 -100.15838 -94.22468 5.93370 2.57670 -95.22406 985.84343
1180.0000 -100.00590 -94.71188 5.29401 2.62686 -94.60847 1054.53128
1185.0000 -100.49330 -94.96152 5.53178 2.59038 -95.05621 986.62555
1190.0000 -101.57663 -95.46937 6.10727 2.57913 -95.19429 1021.03236
1195.0000 -101.28461 -95.16205 6.12256 2.55358 -95.50785 1017.32902
1200.0000 -100.99424 -96.58876 4.40548 2.59134 -95.04443 1050.23752
1205.0000 -100.98448 -95.75299 5.23148 2.52839 -95.81708 922.13358
1210.0000 -100.31531 -95.09929 5.21602 2.53531 -95.73206 983.95526
1215.0000 -102.22827 -97.01792 5.21034 2.48108 -96.39775 908.71074
1220.0000 -100.84388 -94.85350 5.99038 2.48707 -96.32426 930.66541
1225.0000 -103.18497 -98.13108 5.05388 2.48750 -96.31890 932.26495
1230.0000 -102.06336 -97.57071 4.49265 2.37584 -97.68942 852.82667
1235.0000 -101.66537 -97.00023 4.66514 2.42562 -97.07840 874.90366
1240.0000 -101.84327 -96.66092 5.18236 2.43253 -96.99362 878.65494
1245.0000 -102.03039 -97.21069 4.81971 2.45835 -96.67671 932.27150
1250.0000 -102.09319 -96.14940 5.94378 2.51230 -96.01455 945.31540
FREEZING PROCESS: loop number 6 T-loop= 910.00000000000000
main_MD> interactions number 6 at Temperature= 910.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.05150 -1.46251 6.32051
force_rgl> df(natom) -0.86491 0.37353 -2.29796
1255.0000 -101.61266 -95.91961 5.69305 2.48807 -96.31187 953.11798
1260.0000 -101.81017 -96.05786 5.75231 2.47891 -96.42441 888.67182
1265.0000 -101.92064 -96.23032 5.69032 2.46204 -96.63140 888.81439
1270.0000 -101.52616 -96.23042 5.29574 2.47159 -96.51421 925.21570
1275.0000 -101.23306 -95.55679 5.67627 2.53773 -95.70239 1010.43862
1280.0000 -102.10220 -96.16126 5.94094 2.51811 -95.94320 935.91883
1285.0000 -102.12318 -96.90347 5.21971 2.45909 -96.66768 865.69191
1290.0000 -100.80545 -95.97429 4.83116 2.50217 -96.13881 883.10771
1295.0000 -101.01556 -96.44266 4.57290 2.45049 -96.77319 859.00850
1300.0000 -102.24599 -96.65857 5.58742 2.43933 -96.91018 901.55633
1305.0000 -101.22308 -96.23800 4.98507 2.52204 -95.89499 973.91743
1310.0000 -101.74189 -96.37816 5.36374 2.53354 -95.75379 931.97404
1315.0000 -100.27400 -95.29514 4.97886 2.52578 -95.84910 935.60026
1320.0000 -102.50765 -97.21383 5.29383 2.54621 -95.59836 945.20810
1325.0000 -102.24101 -96.66328 5.57773 2.44859 -96.79651 965.36984
1330.0000 -102.50846 -98.07593 4.43253 2.40065 -97.38486 852.64846
1335.0000 -102.26925 -95.66118 6.60807 2.46765 -96.56261 887.57652
1340.0000 -99.73682 -94.63467 5.10216 2.61849 -94.71123 995.93074
1345.0000 -101.13425 -96.00463 5.12962 2.56633 -95.35138 964.52503
1350.0000 -102.35814 -97.81779 4.54035 2.38033 -97.63429 822.52191
1355.0000 -101.97657 -96.72138 5.25519 2.38557 -97.56997 853.63432
1360.0000 -101.56817 -97.34537 4.22280 2.47928 -96.41987 932.28560
1365.0000 -101.63610 -96.36461 5.27150 2.45023 -96.77638 895.74671
1370.0000 -101.44972 -95.68268 5.76704 2.50527 -96.10084 931.43774
1375.0000 -100.22854 -94.57193 5.65661 2.59138 -95.04391 1004.45950
1380.0000 -101.13410 -96.30723 4.82687 2.47283 -96.49904 912.36666
1385.0000 -99.71971 -94.65857 5.06114 2.55051 -95.54559 1014.16156
1390.0000 -102.02728 -96.64635 5.38093 2.52384 -95.87288 957.84810
1395.0000 -102.61150 -95.66460 6.94690 2.54905 -95.56344 1015.54791
1400.0000 -102.40647 -96.07390 6.33257 2.48149 -96.39266 925.40332
1405.0000 -101.92491 -96.52922 5.39568 2.45748 -96.68734 919.02305
1410.0000 -102.70351 -97.54550 5.15801 2.41081 -97.26026 876.90387
1415.0000 -101.90967 -96.50438 5.40529 2.45167 -96.75870 912.38207
1420.0000 -101.83367 -96.58856 5.24511 2.42838 -97.04455 864.02682
1425.0000 -102.82736 -97.68007 5.14729 2.39536 -97.44984 861.32004
1430.0000 -101.05842 -95.68894 5.36948 2.45609 -96.70449 918.44091
1435.0000 -101.73845 -96.04855 5.68990 2.52498 -95.85890 937.10624
1440.0000 -100.45520 -95.46025 4.99496 2.54957 -95.55712 961.83164
1445.0000 -100.15639 -94.73274 5.42364 2.58916 -95.07122 1008.45205
1450.0000 -99.85789 -94.13608 5.72181 2.68394 -93.90787 1081.50515
1455.0000 -100.75382 -95.26398 5.48984 2.59085 -95.05045 943.03998
1460.0000 -101.08346 -97.19905 3.88441 2.48600 -96.33738 873.14326
1465.0000 -101.47583 -97.38570 4.09014 2.43832 -96.92259 883.70704
1470.0000 -101.46881 -96.93666 4.53216 2.40640 -97.31439 871.67286
1475.0000 -102.51987 -98.43642 4.08345 2.34549 -98.06192 818.35312
1480.0000 -102.57731 -98.61793 3.95939 2.34237 -98.10028 818.62840
1485.0000 -101.43343 -96.78598 4.64744 2.42365 -97.10262 887.46875
1490.0000 -100.72809 -95.21788 5.51022 2.43581 -96.95342 881.79885
1495.0000 -100.82968 -96.23418 4.59550 2.54602 -95.60066 944.83460
1500.0000 -99.89896 -94.18444 5.71453 2.63657 -94.48931 1059.56031
FREEZING PROCESS: loop number 7 T-loop= 885.00000000000000
main_MD> interactions number 7 at Temperature= 885.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04048 -3.03408 2.98362
force_rgl> df(natom) 0.40355 3.82010 -0.67199
1505.0000 -100.48913 -95.77790 4.71122 2.59114 -95.04687 1042.44605
1510.0000 -102.43166 -98.13777 4.29388 2.48789 -96.31418 944.74200
1515.0000 -103.85211 -97.82830 6.02381 2.37402 -97.71173 853.02468
1520.0000 -102.85744 -97.69664 5.16080 2.38077 -97.62892 838.21857
1525.0000 -100.15130 -96.06338 4.08792 2.44197 -96.87778 899.57129
1530.0000 -101.34136 -96.22707 5.11429 2.50252 -96.13461 895.43042
1535.0000 -102.47073 -97.23718 5.23354 2.48034 -96.40684 891.77292
1540.0000 -102.37539 -97.08476 5.29064 2.37179 -97.73914 842.10687
1545.0000 -102.71176 -98.04559 4.66617 2.36155 -97.86477 820.25300
1550.0000 -100.22460 -95.49848 4.72612 2.41377 -97.22383 878.72587
1555.0000 -101.12933 -95.69633 5.43300 2.59718 -94.97271 1027.11819
1560.0000 -101.20801 -96.71360 4.49440 2.44861 -96.79630 863.21088
1565.0000 -100.98968 -96.21782 4.77186 2.49242 -96.25851 882.13141
1570.0000 -101.08708 -96.59589 4.49119 2.50481 -96.10643 964.08015
1575.0000 -102.02407 -96.33447 5.68959 2.47054 -96.52710 895.83653
1580.0000 -100.77409 -96.53636 4.23773 2.48716 -96.32314 924.50929
1585.0000 -101.66201 -97.79664 3.86537 2.39890 -97.40634 823.53249
1590.0000 -101.25871 -96.00831 5.25040 2.48884 -96.30251 960.00614
1595.0000 -101.52314 -96.44460 5.07853 2.49027 -96.28495 925.59888
1600.0000 -100.52192 -95.43933 5.08260 2.56522 -95.36504 997.88521
1605.0000 -100.92804 -96.57334 4.35470 2.53273 -95.76377 951.81846
1610.0000 -101.27326 -96.50963 4.76363 2.46090 -96.64538 883.63676
1615.0000 -102.94762 -97.69219 5.25543 2.36322 -97.84429 817.39291
1620.0000 -102.38682 -97.35138 5.03544 2.40675 -97.31001 860.19101
1625.0000 -102.40831 -96.99663 5.41168 2.43605 -96.95035 938.31923
1630.0000 -102.29629 -97.99373 4.30255 2.39794 -97.41819 852.18744
1635.0000 -101.90276 -97.58563 4.31714 2.34718 -98.04121 839.68847
1640.0000 -102.11248 -96.62666 5.48582 2.42636 -97.06933 896.39165
1645.0000 -102.14639 -96.93680 5.20960 2.45798 -96.68127 898.77947
1650.0000 -102.13741 -96.60027 5.53714 2.42316 -97.10857 885.02320
1655.0000 -101.99097 -97.90641 4.08457 2.42051 -97.14121 848.99843
1660.0000 -102.18055 -97.34826 4.83229 2.32543 -98.30819 804.05171
1665.0000 -102.17356 -96.39615 5.77740 2.43087 -97.01394 883.33520
1670.0000 -102.63402 -97.21457 5.41945 2.52336 -95.87876 977.83821
1675.0000 -102.98012 -97.29300 5.68713 2.42233 -97.11886 902.33736
1680.0000 -101.57774 -95.78132 5.79643 2.44372 -96.85630 931.50880
1685.0000 -101.28660 -96.47832 4.80828 2.48593 -96.33817 948.96299
1690.0000 -101.61449 -97.46206 4.15243 2.45549 -96.71178 924.94806
1695.0000 -101.97355 -96.88088 5.09267 2.42493 -97.08694 867.46644
1700.0000 -102.71613 -98.72726 3.98887 2.35838 -97.90370 821.14002
1705.0000 -102.45942 -97.98967 4.46975 2.34824 -98.02818 853.30953
1710.0000 -102.11932 -98.12334 3.99599 2.30835 -98.51779 791.47243
1715.0000 -101.70817 -97.26211 4.44607 2.40657 -97.31225 837.98711
1720.0000 -103.48793 -98.30073 5.18720 2.36992 -97.76206 856.02575
1725.0000 -101.23389 -96.74323 4.49066 2.45538 -96.71317 903.12066
1730.0000 -101.42890 -95.22128 6.20762 2.48166 -96.39067 910.94704
1735.0000 -101.73903 -95.96291 5.77612 2.52074 -95.91092 961.30515
1740.0000 -101.75935 -97.21972 4.53963 2.48840 -96.30789 934.76344
1745.0000 -102.37904 -97.66461 4.71443 2.40933 -97.27839 833.17537
1750.0000 -102.08616 -97.41460 4.67155 2.40536 -97.32715 865.63918
FREEZING PROCESS: loop number 8 T-loop= 860.00000000000000
main_MD> interactions number 8 at Temperature= 860.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40733 0.66398 -1.02741
force_rgl> df(natom) 1.08432 -1.13317 -3.59922
1755.0000 -101.59273 -96.56793 5.02479 2.37249 -97.73060 848.96197
1760.0000 -100.88985 -96.80074 4.08911 2.46337 -96.61506 933.40652
1765.0000 -102.35309 -97.93104 4.42205 2.35873 -97.89937 813.18802
1770.0000 -101.80127 -97.20232 4.59895 2.43399 -96.97567 877.49090
1775.0000 -101.69706 -97.56557 4.13149 2.35991 -97.88492 778.34693
1780.0000 -101.60634 -96.81661 4.78972 2.46191 -96.63305 883.60130
1785.0000 -102.62256 -97.92297 4.69960 2.43306 -96.98713 866.05751
1790.0000 -101.30903 -96.78159 4.52745 2.47163 -96.51375 915.93463
1795.0000 -103.45924 -98.08069 5.37855 2.39184 -97.49300 835.17230
1800.0000 -101.61325 -97.71401 3.89924 2.30383 -98.57324 786.19750
1805.0000 -101.69614 -96.77350 4.92264 2.42582 -97.07603 861.91848
1810.0000 -101.44757 -97.50024 3.94732 2.45797 -96.68141 878.40055
1815.0000 -102.73780 -97.25913 5.47868 2.37928 -97.64723 811.56252
1820.0000 -101.09427 -96.36240 4.73188 2.48566 -96.34150 939.74901
1825.0000 -101.40727 -97.76886 3.63841 2.40787 -97.29626 861.20266
1830.0000 -102.66193 -97.33583 5.32610 2.37520 -97.69727 844.09111
1835.0000 -103.49481 -99.15986 4.33495 2.36705 -97.79730 853.42694
1840.0000 -103.73294 -97.93842 5.79452 2.31066 -98.48937 839.24223
1845.0000 -102.42078 -97.78541 4.63537 2.34019 -98.12697 796.48998
1850.0000 -102.45400 -97.86269 4.59131 2.36818 -97.78347 846.48925
1855.0000 -101.54436 -96.27079 5.27357 2.46824 -96.55537 896.70132
1860.0000 -101.67643 -96.07473 5.60170 2.48035 -96.40670 857.12261
1865.0000 -100.84904 -95.67176 5.17728 2.51233 -96.01417 947.15319
1870.0000 -102.24688 -97.52355 4.72334 2.47687 -96.44944 942.41214
1875.0000 -102.93006 -98.47034 4.45972 2.33100 -98.23974 826.92358
1880.0000 -101.45336 -96.39784 5.05552 2.40926 -97.27921 840.23387
1885.0000 -100.54633 -95.55995 4.98638 2.56454 -95.37331 975.97817
1890.0000 -101.36878 -96.38905 4.97973 2.48664 -96.32943 955.01534
1895.0000 -102.83865 -98.61229 4.22636 2.38139 -97.62135 833.21507
1900.0000 -101.80860 -96.91908 4.88952 2.34208 -98.10380 829.20183
1905.0000 -102.42547 -97.48932 4.93615 2.40241 -97.36331 830.77725
1910.0000 -100.72490 -96.25639 4.46851 2.43481 -96.96559 873.68728
1915.0000 -101.29688 -96.13556 5.16133 2.51932 -95.92839 932.42211
1920.0000 -102.65455 -97.48344 5.17112 2.44144 -96.88423 879.73216
1925.0000 -102.65713 -97.86431 4.79282 2.35760 -97.91326 844.74689
1930.0000 -101.64464 -96.27828 5.36635 2.38534 -97.57280 857.00144
1935.0000 -102.03496 -96.28794 5.74702 2.50901 -96.05486 957.90866
1940.0000 -100.78027 -96.46627 4.31401 2.46335 -96.61530 899.11188
1945.0000 -101.99471 -97.34970 4.64501 2.45277 -96.74514 875.05869
1950.0000 -101.70895 -97.20548 4.50347 2.43748 -96.93284 903.88973
1955.0000 -103.83645 -99.23666 4.59979 2.37375 -97.71508 846.75183
1960.0000 -103.54567 -98.57174 4.97393 2.30417 -98.56904 785.72658
1965.0000 -101.01686 -96.04069 4.97617 2.39516 -97.45233 866.83661
1970.0000 -101.47850 -95.41463 6.06386 2.50194 -96.14166 924.41124
1975.0000 -101.89795 -97.60008 4.29787 2.47481 -96.47469 935.68962
1980.0000 -101.38412 -96.87402 4.51010 2.41252 -97.23917 862.53329
1985.0000 -101.20353 -97.77730 3.42624 2.39189 -97.49243 831.57865
1990.0000 -101.48274 -96.26564 5.21710 2.46412 -96.60593 897.05688
1995.0000 -102.37921 -97.96906 4.41015 2.41326 -97.23019 865.11925
2000.0000 -101.75665 -97.08046 4.67619 2.38875 -97.53101 839.93203
FREEZING PROCESS: loop number 9 T-loop= 835.00000000000000
main_MD> interactions number 9 at Temperature= 835.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91092 -2.61442 1.53477
force_rgl> df(natom) 0.40970 0.16932 -0.70154
2005.0000 -100.93615 -96.98910 3.94705 2.40519 -97.32917 828.45056
2010.0000 -103.23827 -98.18929 5.04898 2.42281 -97.11296 873.31426
2015.0000 -102.47889 -97.48360 4.99529 2.44628 -96.82484 903.50694
2020.0000 -100.98829 -96.26496 4.72333 2.38581 -97.56700 848.44942
2025.0000 -102.43738 -95.93903 6.49835 2.52475 -95.86169 928.02195
2030.0000 -102.36132 -97.24970 5.11162 2.41839 -97.16713 861.47076
2035.0000 -101.70583 -97.56572 4.14011 2.38327 -97.59828 851.47024
2040.0000 -103.09185 -99.34156 3.75029 2.30001 -98.62012 782.76284
2045.0000 -103.77157 -99.64121 4.13036 2.21579 -99.65385 704.03731
2050.0000 -102.79902 -98.74276 4.05626 2.26046 -99.10559 744.01637
2055.0000 -102.30108 -98.16658 4.13450 2.34955 -98.01213 817.92874
2060.0000 -102.13539 -97.95634 4.17905 2.38953 -97.52138 862.74731
2065.0000 -102.69735 -97.99179 4.70556 2.32087 -98.36415 786.90926
2070.0000 -104.51158 -100.19033 4.32125 2.26577 -99.04034 770.79410
2075.0000 -103.88586 -98.67069 5.21517 2.23703 -99.39314 729.02489
2080.0000 -102.54385 -99.01709 3.52676 2.27390 -98.94056 764.17504
2085.0000 -101.92288 -97.74179 4.18109 2.32306 -98.33720 773.51795
2090.0000 -101.95050 -98.00272 3.94778 2.37198 -97.73676 838.70141
2095.0000 -102.38788 -97.65840 4.72948 2.36940 -97.76842 803.59893
2100.0000 -102.15863 -97.04865 5.10997 2.38526 -97.57381 835.52491
2105.0000 -102.96559 -98.41174 4.55385 2.34827 -98.02781 847.39456
2110.0000 -103.10165 -97.94400 5.15765 2.35263 -97.97425 812.91146
2115.0000 -102.78985 -97.67166 5.11819 2.35398 -97.95775 804.21062
2120.0000 -102.00686 -97.70598 4.30088 2.41230 -97.24191 858.54626
2125.0000 -102.75368 -97.26466 5.48903 2.38232 -97.60986 843.22943
2130.0000 -101.60599 -97.09070 4.51528 2.36067 -97.87564 812.86830
2135.0000 -100.81682 -96.40601 4.41081 2.39857 -97.41043 866.11282
2140.0000 -102.23683 -97.47071 4.76612 2.44166 -96.88152 874.55275
2145.0000 -103.04010 -98.67499 4.36511 2.31702 -98.41132 781.67572
2150.0000 -102.51701 -98.24273 4.27428 2.32474 -98.31659 794.25132
2155.0000 -101.32544 -96.70506 4.62039 2.43563 -96.95560 860.76563
2160.0000 -102.65076 -97.49862 5.15214 2.44669 -96.81986 905.15575
2165.0000 -103.71109 -98.77872 4.93237 2.35107 -97.99341 822.34472
2170.0000 -101.13523 -96.63831 4.49692 2.39609 -97.44086 876.40483
2175.0000 -102.23367 -97.97400 4.25967 2.41716 -97.18230 877.24342
2180.0000 -102.59353 -99.15111 3.44243 2.30433 -98.56714 774.37785
2185.0000 -103.32841 -99.13127 4.19715 2.27060 -98.98106 747.55517
2190.0000 -103.45011 -99.68693 3.76317 2.25071 -99.22527 718.24036
2195.0000 -104.22613 -99.65634 4.56979 2.24121 -99.34185 732.51999
2200.0000 -103.26863 -98.14327 5.12536 2.26568 -99.04146 750.08933
2205.0000 -103.95612 -98.86051 5.09560 2.31942 -98.38193 804.17298
2210.0000 -103.43362 -100.16476 3.26885 2.25016 -99.23200 740.95725
2215.0000 -102.33294 -98.60978 3.72316 2.24927 -99.24297 714.23486
2220.0000 -102.03395 -97.58445 4.44950 2.29996 -98.62078 782.44048
2225.0000 -102.81404 -99.11157 3.70247 2.29318 -98.70402 757.14553
2230.0000 -103.13720 -98.82576 4.31144 2.29748 -98.65122 747.55573
2235.0000 -103.04075 -98.03712 5.00364 2.37590 -97.68867 825.19572
2240.0000 -102.89430 -98.06963 4.82467 2.32605 -98.30057 824.51314
2245.0000 -103.27862 -99.14666 4.13197 2.29988 -98.62177 776.15627
2250.0000 -102.84041 -99.46842 3.37200 2.25812 -99.13431 760.12864
FREEZING PROCESS: loop number 10 T-loop= 810.00000000000000
main_MD> interactions number 10 at Temperature= 810.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27700 -3.56632 -3.18152
force_rgl> df(natom) -1.16373 -0.52847 1.34927
2255.0000 -102.80290 -98.83683 3.96607 2.26540 -99.04492 742.83054
2260.0000 -103.22980 -98.92318 4.30663 2.25263 -99.20172 735.46889
2265.0000 -102.55514 -98.22813 4.32701 2.28150 -98.84731 753.30776
2270.0000 -103.56275 -99.40577 4.15698 2.30490 -98.56007 751.16120
2275.0000 -104.77957 -100.22504 4.55453 2.20440 -99.79363 685.05236
2280.0000 -103.57108 -98.91833 4.65276 2.23390 -99.43159 741.84122
2285.0000 -102.75355 -98.93678 3.81677 2.26125 -99.09585 743.52088
2290.0000 -102.94404 -98.55299 4.39106 2.31096 -98.48575 793.09154
2295.0000 -103.10256 -98.57700 4.52555 2.33151 -98.23347 789.10511
2300.0000 -103.03998 -98.19823 4.84175 2.31371 -98.45202 784.78055
2305.0000 -102.31830 -97.54864 4.76966 2.32935 -98.26005 826.64351
2310.0000 -102.09035 -97.83187 4.25848 2.37805 -97.66228 856.27729
2315.0000 -102.72453 -98.93985 3.78468 2.35054 -97.99999 813.15908
2320.0000 -102.37379 -96.61654 5.75726 2.37339 -97.71955 838.70403
2325.0000 -102.13921 -97.80294 4.33628 2.38992 -97.51663 825.80571
2330.0000 -103.40007 -97.33825 6.06182 2.36461 -97.82727 838.72598
2335.0000 -102.98178 -98.40813 4.57364 2.35100 -97.99432 803.43348
2340.0000 -101.73388 -97.86886 3.86502 2.33125 -98.23670 783.76128
2345.0000 -103.09175 -99.10075 3.99100 2.34881 -98.02121 817.47015
2350.0000 -103.21618 -99.26960 3.94659 2.24558 -99.28825 734.11958
2355.0000 -102.15082 -96.45653 5.69429 2.35477 -97.94803 823.63040
2360.0000 -102.05700 -98.00388 4.05312 2.38884 -97.52991 878.12386
2365.0000 -102.00771 -97.49642 4.51128 2.39942 -97.39994 853.22075
2370.0000 -102.32209 -97.66242 4.65967 2.42293 -97.11145 843.59400
2375.0000 -102.81175 -98.73823 4.07352 2.32517 -98.31134 790.09666
2380.0000 -103.60280 -100.01848 3.58433 2.28080 -98.85593 758.68802
2385.0000 -102.52738 -98.32705 4.20033 2.22773 -99.50730 737.97731
2390.0000 -102.43688 -97.67588 4.76100 2.36503 -97.82211 844.28312
2395.0000 -101.89515 -97.54584 4.34931 2.40361 -97.34859 884.62538
2400.0000 -102.39317 -98.15134 4.24182 2.33634 -98.17426 820.84628
2405.0000 -103.64499 -99.10037 4.54461 2.26977 -98.99128 756.28221
2410.0000 -103.53762 -99.08784 4.44978 2.21632 -99.64738 723.94145
2415.0000 -102.47030 -97.61098 4.85932 2.30353 -98.57689 767.83564
2420.0000 -101.18469 -96.80881 4.37587 2.34953 -98.01230 834.01190
2425.0000 -101.69723 -96.03579 5.66144 2.43707 -96.93793 897.73518
2430.0000 -102.55010 -97.90239 4.64770 2.42115 -97.13333 859.22978
2435.0000 -102.30968 -98.23488 4.07481 2.32679 -98.29142 792.97242
2440.0000 -101.00372 -96.24923 4.75449 2.38332 -97.59760 840.20983
2445.0000 -103.03234 -99.37864 3.65370 2.39301 -97.47864 851.05325
2450.0000 -103.60283 -99.02040 4.58243 2.29533 -98.67757 766.61871
2455.0000 -101.75639 -97.16734 4.58905 2.33411 -98.20161 808.92967
2460.0000 -101.41011 -97.79830 3.61180 2.43034 -97.02054 889.71457
2465.0000 -102.43759 -97.77957 4.65802 2.36658 -97.80313 801.88492
2470.0000 -103.62567 -98.14023 5.48544 2.31993 -98.37564 805.19298
2475.0000 -102.59262 -96.93150 5.66112 2.35637 -97.92839 799.32772
2480.0000 -102.45630 -97.24039 5.21591 2.43182 -97.00239 857.69988
2485.0000 -102.14940 -97.61752 4.53189 2.41849 -97.16590 889.72614
2490.0000 -102.87347 -97.05719 5.81628 2.37302 -97.72398 826.30356
2495.0000 -102.94994 -99.00949 3.94045 2.38774 -97.54333 856.79174
2500.0000 -104.99919 -100.28332 4.71587 2.15972 -100.34198 646.03064
FREEZING PROCESS: loop number 11 T-loop= 785.00000000000000
main_MD> interactions number 11 at Temperature= 785.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53904 -1.23599 1.55941
force_rgl> df(natom) -1.36475 0.95048 0.41024
2505.0000 -103.80516 -99.26298 4.54218 2.17451 -100.16044 709.47283
2510.0000 -103.85888 -99.29838 4.56050 2.25170 -99.21309 750.73634
2515.0000 -104.58431 -99.69394 4.89036 2.22211 -99.57623 717.35534
2520.0000 -102.35100 -98.29987 4.05113 2.27082 -98.97847 740.63580
2525.0000 -103.22402 -98.61421 4.60981 2.33297 -98.21555 820.61783
2530.0000 -103.08300 -98.33250 4.75050 2.29970 -98.62394 749.49082
2535.0000 -103.59199 -98.64673 4.94526 2.29915 -98.63064 767.29469
2540.0000 -102.57077 -98.25286 4.31791 2.29078 -98.73339 783.87823
2545.0000 -103.09461 -98.54707 4.54754 2.32107 -98.36161 769.03943
2550.0000 -103.37961 -98.77847 4.60114 2.31661 -98.41639 788.74611
2555.0000 -102.69504 -98.75976 3.93528 2.28620 -98.78965 776.46863
2560.0000 -102.79992 -98.05015 4.74977 2.36687 -97.79953 803.22421
2565.0000 -103.68996 -98.80599 4.88397 2.31482 -98.43841 763.48256
2570.0000 -103.86520 -98.75596 5.10924 2.28585 -98.79390 782.73634
2575.0000 -103.15509 -98.61047 4.54462 2.30546 -98.55319 784.97934
2580.0000 -103.90012 -98.89579 5.00433 2.26838 -99.00832 757.97047
2585.0000 -102.64978 -97.81444 4.83534 2.32364 -98.33011 806.99636
2590.0000 -103.23480 -98.84693 4.38787 2.25995 -99.11182 761.65216
2595.0000 -102.54699 -97.11157 5.43542 2.30018 -98.61800 783.31450
2600.0000 -101.47165 -95.86515 5.60650 2.45543 -96.71260 890.50000
2605.0000 -99.69267 -94.88043 4.81225 2.57893 -95.19668 963.47046
2610.0000 -102.68846 -97.03867 5.64979 2.54580 -95.60341 1017.70635
2615.0000 -103.50547 -98.39045 5.11502 2.39013 -97.51403 844.46061
2620.0000 -102.84463 -98.86422 3.98040 2.29769 -98.64862 795.57574
2625.0000 -102.69078 -98.95624 3.73454 2.27325 -98.94864 742.19418
2630.0000 -102.01358 -98.16964 3.84393 2.36852 -97.77925 786.92250
2635.0000 -103.51465 -98.15259 5.36205 2.30051 -98.61405 821.05317
2640.0000 -102.80721 -98.10675 4.70046 2.34167 -98.10880 825.27498
2645.0000 -101.52280 -97.44132 4.08149 2.38724 -97.54952 857.87910
2650.0000 -101.79980 -97.40539 4.39441 2.34496 -98.06844 836.15419
2655.0000 -102.48950 -97.61431 4.87519 2.37225 -97.73346 808.60891
2660.0000 -102.52794 -97.84953 4.67841 2.28937 -98.75071 732.17663
2665.0000 -101.42738 -96.76616 4.66122 2.43637 -96.94647 888.02817
2670.0000 -102.74860 -98.43187 4.31673 2.43600 -96.95103 895.88154
2675.0000 -103.33552 -99.39465 3.94087 2.32610 -98.29992 759.85806
2680.0000 -104.82641 -100.83130 3.99511 2.18767 -99.99900 697.50423
2685.0000 -103.95821 -100.13002 3.82819 2.17901 -100.10529 684.92637
2690.0000 -102.53924 -99.36661 3.17263 2.19909 -99.85885 698.57614
2695.0000 -103.95036 -100.15190 3.79846 2.17805 -100.11702 673.44099
2700.0000 -104.07412 -99.61533 4.45880 2.22252 -99.57129 724.44736
2705.0000 -102.61627 -98.42729 4.18899 2.29614 -98.66765 779.83777
2710.0000 -103.49710 -98.63168 4.86542 2.32111 -98.36119 769.00488
2715.0000 -103.03967 -98.47227 4.56740 2.27856 -98.88342 773.51063
2720.0000 -101.93256 -97.65232 4.28024 2.34320 -98.08999 804.10687
2725.0000 -102.67896 -98.40828 4.27068 2.32767 -98.28063 785.20269
2730.0000 -102.50706 -98.06956 4.43749 2.27115 -98.97431 743.39898
2735.0000 -102.66109 -97.73658 4.92450 2.33651 -98.17218 811.75492
2740.0000 -102.34787 -98.06295 4.28493 2.34527 -98.06460 857.05971
2745.0000 -103.13448 -98.16660 4.96787 2.35252 -97.97562 820.97561
2750.0000 -102.97167 -98.04670 4.92497 2.33554 -98.18402 789.99651
FREEZING PROCESS: loop number 12 T-loop= 760.00000000000000
main_MD> interactions number 12 at Temperature= 760.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.89719 1.47400 -0.72552
force_rgl> df(natom) 1.44077 -0.70017 -4.73195
2755.0000 -103.77510 -99.41735 4.35775 2.27238 -98.95932 762.41729
2760.0000 -103.22000 -98.31273 4.90728 2.28591 -98.79324 775.48105
2765.0000 -103.12621 -99.17986 3.94635 2.22878 -99.49441 721.98492
2770.0000 -102.87196 -98.27434 4.59762 2.30082 -98.61026 772.24773
2775.0000 -102.96010 -98.59470 4.36540 2.31999 -98.37490 828.38771
2780.0000 -103.17560 -98.87242 4.30317 2.30119 -98.60572 794.32925
2785.0000 -103.08822 -99.45794 3.63028 2.21691 -99.64011 711.94167
2790.0000 -102.48399 -98.69097 3.79302 2.29268 -98.71013 731.84396
2795.0000 -102.63326 -99.18504 3.44822 2.25111 -99.22039 709.12741
2800.0000 -103.80566 -99.54417 4.26150 2.26615 -99.03574 749.06674
2805.0000 -104.01249 -100.89678 3.11571 2.15223 -100.43391 670.85224
2810.0000 -103.90062 -100.08411 3.81651 2.15545 -100.39449 643.96922
2815.0000 -103.36827 -99.44278 3.92549 2.25872 -99.12689 738.95537
2820.0000 -103.64826 -99.63714 4.01111 2.22028 -99.59873 745.69154
2825.0000 -103.70551 -100.02821 3.67730 2.17339 -100.17430 692.26324
2830.0000 -104.00313 -100.03544 3.96769 2.19360 -99.92616 680.02409
2835.0000 -102.07538 -99.23997 2.83541 2.21510 -99.66229 687.90105
2840.0000 -103.44463 -98.74749 4.69714 2.28752 -98.77338 772.14997
2845.0000 -104.44796 -99.21721 5.23076 2.28613 -98.79050 802.57091
2850.0000 -102.76421 -97.91242 4.85180 2.27740 -98.89769 782.55092
2855.0000 -100.85244 -96.29888 4.55356 2.42473 -97.08931 855.14875
2860.0000 -102.71737 -98.42228 4.29509 2.37593 -97.68827 837.21704
2865.0000 -102.63718 -98.23304 4.40415 2.33731 -98.16230 824.52561
2870.0000 -101.33866 -97.71833 3.62034 2.42509 -97.08497 889.53444
2875.0000 -102.86057 -99.73163 3.12894 2.30723 -98.53157 752.66167
2880.0000 -101.99016 -97.82470 4.16546 2.26547 -99.04414 745.74202
2885.0000 -103.19632 -98.25718 4.93915 2.31045 -98.49205 780.38436
2890.0000 -103.89062 -99.81500 4.07562 2.23814 -99.37950 729.09317
2895.0000 -103.28078 -98.59457 4.68621 2.25490 -99.17377 778.58473
2900.0000 -102.24353 -98.00617 4.23736 2.34881 -98.02122 799.65050
2905.0000 -102.43203 -97.32156 5.11048 2.41191 -97.24675 811.32036
2910.0000 -101.72106 -96.02809 5.69297 2.45191 -96.75579 864.67749
2915.0000 -103.16488 -97.98749 5.17739 2.41518 -97.20660 856.35961
2920.0000 -102.91774 -98.36690 4.55084 2.26854 -99.00640 752.98609
2925.0000 -103.67878 -99.88835 3.79043 2.31436 -98.44395 814.39926
2930.0000 -102.76316 -99.06413 3.69902 2.18866 -99.98682 669.95686
2935.0000 -104.41698 -99.83694 4.58004 2.28752 -98.77349 750.38271
2940.0000 -103.69000 -99.46364 4.22636 2.21703 -99.63857 747.37859
2945.0000 -103.98716 -99.39734 4.58981 2.24171 -99.33567 754.30557
2950.0000 -103.74052 -100.10263 3.63789 2.19212 -99.94432 718.40731
2955.0000 -103.38448 -100.04662 3.33786 2.16721 -100.25010 711.56213
2960.0000 -101.68009 -97.96609 3.71400 2.25468 -99.17645 716.73302
2965.0000 -102.32506 -98.39932 3.92574 2.36686 -97.79960 813.65319
2970.0000 -101.98217 -98.12098 3.86119 2.33474 -98.19383 778.51923
2975.0000 -102.49667 -98.00034 4.49633 2.34400 -98.08019 805.36529
2980.0000 -103.72572 -98.75245 4.97327 2.25854 -99.12917 760.54690
2985.0000 -102.99425 -98.72071 4.27354 2.32671 -98.29238 786.93403
2990.0000 -102.93138 -98.77366 4.15773 2.31026 -98.49431 772.16646
2995.0000 -103.21887 -99.21899 3.99987 2.28522 -98.80171 744.03922
3000.0000 -103.59318 -99.97263 3.62055 2.20956 -99.73027 704.78584
FREEZING PROCESS: loop number 13 T-loop= 735.00000000000000
main_MD> interactions number 13 at Temperature= 735.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.27076 0.15379 -2.28788
force_rgl> df(natom) -1.14333 1.30872 1.34204
3005.0000 -103.49829 -99.98259 3.51570 2.19146 -99.95246 693.27269
3010.0000 -104.41429 -100.49952 3.91477 2.17185 -100.19320 703.69239
3015.0000 -104.77398 -100.57726 4.19672 2.14203 -100.55920 650.69316
3020.0000 -103.35551 -100.15209 3.20342 2.11666 -100.87049 643.44707
3025.0000 -104.22453 -100.17294 4.05159 2.18553 -100.02528 689.74717
3030.0000 -103.32737 -99.51543 3.81194 2.22158 -99.58273 727.61920
3035.0000 -103.51332 -99.87697 3.63635 2.20990 -99.72613 733.85698
3040.0000 -104.08826 -99.05721 5.03106 2.19792 -99.87315 722.23467
3045.0000 -102.49415 -97.79338 4.70077 2.29933 -98.62854 802.46226
3050.0000 -102.34894 -98.33446 4.01448 2.33805 -98.15329 811.66356
3055.0000 -102.80079 -97.90643 4.89436 2.29466 -98.68584 763.42013
3060.0000 -101.85079 -97.75724 4.09355 2.38881 -97.53017 794.43663
3065.0000 -103.51763 -99.31692 4.20071 2.35423 -97.95469 800.07667
3070.0000 -102.47156 -97.88705 4.58451 2.31754 -98.40496 739.81075
3075.0000 -103.34333 -98.10476 5.23858 2.32804 -98.27609 793.31053
3080.0000 -104.06996 -98.96491 5.10505 2.35312 -97.96832 839.64693
3085.0000 -104.54665 -99.40912 5.13752 2.28409 -98.81550 809.28050
3090.0000 -104.00902 -100.47743 3.53160 2.15890 -100.35207 691.30448
3095.0000 -103.19234 -99.96705 3.22528 2.18764 -99.99936 663.35324
3100.0000 -102.68874 -99.10332 3.58542 2.23173 -99.45814 719.76373
3105.0000 -102.75886 -98.34253 4.41633 2.28293 -98.82972 747.14965
3110.0000 -104.40659 -100.70841 3.69818 2.22496 -99.54124 702.12055
3115.0000 -103.14312 -99.37127 3.77185 2.21711 -99.63766 705.49819
3120.0000 -102.54724 -98.26975 4.27749 2.30390 -98.57234 802.00865
3125.0000 -103.93648 -99.15296 4.78352 2.26953 -98.99430 770.12422
3130.0000 -103.29311 -99.01768 4.27543 2.25129 -99.21818 736.59056
3135.0000 -102.47375 -98.71968 3.75407 2.20146 -99.82977 693.14026
3140.0000 -102.80509 -99.02956 3.77553 2.27208 -98.96299 722.31003
3145.0000 -102.59383 -97.94596 4.64787 2.30470 -98.56255 775.86771
3150.0000 -103.74457 -99.79172 3.95286 2.26789 -99.01433 746.12987
3155.0000 -104.40962 -100.23099 4.17863 2.17240 -100.18646 684.62044
3160.0000 -102.93974 -99.11204 3.82770 2.21926 -99.61120 704.87878
3165.0000 -103.14802 -98.99546 4.15256 2.27252 -98.95750 746.22060
3170.0000 -104.58755 -100.06980 4.51775 2.24529 -99.29180 752.24228
3175.0000 -104.17969 -99.64631 4.53337 2.19203 -99.94548 712.84644
3180.0000 -103.05077 -98.54578 4.50499 2.29335 -98.70183 767.16603
3185.0000 -103.47604 -99.90948 3.56655 2.25739 -99.14323 731.05079
3190.0000 -104.54731 -100.65320 3.89411 2.13061 -100.69938 641.37444
3195.0000 -103.34584 -100.10094 3.24490 2.17674 -100.13318 702.92698
3200.0000 -103.48812 -99.01067 4.47745 2.16116 -100.32433 672.09288
3205.0000 -103.22505 -99.81291 3.41214 2.23631 -99.40202 722.87795
3210.0000 -103.74140 -99.04449 4.69691 2.21607 -99.65042 698.12524
3215.0000 -103.02271 -99.84389 3.17882 2.22749 -99.51023 692.67516
3220.0000 -102.64752 -98.29150 4.35603 2.24326 -99.31668 736.06607
3225.0000 -103.22153 -98.82408 4.39746 2.32375 -98.32882 807.94643
3230.0000 -101.62394 -97.40826 4.21568 2.38414 -97.58758 826.66734
3235.0000 -103.22385 -99.35329 3.87056 2.33533 -98.18663 791.07520
3240.0000 -102.26704 -98.12395 4.14309 2.29243 -98.71319 765.03132
3245.0000 -102.87849 -99.67652 3.20198 2.29191 -98.71953 771.51604
3250.0000 -102.37766 -98.73048 3.64718 2.25594 -99.16105 702.91701
FREEZING PROCESS: loop number 14 T-loop= 710.00000000000000
main_MD> interactions number 14 at Temperature= 710.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02440 0.06720 1.82593
force_rgl> df(natom) 2.14163 4.65103 3.04083
3255.0000 -103.77843 -100.16516 3.61327 2.25147 -99.21593 717.60620
3260.0000 -103.87480 -100.13577 3.73903 2.18090 -100.08207 671.42526
3265.0000 -103.46946 -99.45018 4.01928 2.19327 -99.93019 676.19534
3270.0000 -103.86528 -99.64510 4.22018 2.26253 -99.08011 751.89880
3275.0000 -103.85071 -99.03518 4.81553 2.23848 -99.37530 727.99347
3280.0000 -102.64462 -97.57053 5.07410 2.30638 -98.54197 782.95002
3285.0000 -102.74475 -98.91326 3.83149 2.30775 -98.52510 797.52121
3290.0000 -102.82519 -99.11117 3.71402 2.29279 -98.70879 712.86254
3295.0000 -103.05956 -99.50156 3.55800 2.23889 -99.37026 709.27410
3300.0000 -103.23987 -99.82995 3.40992 2.17914 -100.10366 652.62089
3305.0000 -104.95549 -100.44228 4.51321 2.16880 -100.23061 681.94895
3310.0000 -103.99003 -101.03301 2.95702 2.16858 -100.23332 697.22425
3315.0000 -104.37823 -101.55800 2.82023 2.13960 -100.58903 676.20196
3320.0000 -104.52062 -101.29544 3.22518 2.03496 -101.87334 564.87779
3325.0000 -104.66122 -100.31656 4.34465 2.07884 -101.33469 607.47757
3330.0000 -104.56919 -101.12027 3.44892 2.06658 -101.48523 599.93763
3335.0000 -104.01713 -100.68765 3.32948 2.12783 -100.73346 640.66060
3340.0000 -104.12466 -100.95301 3.17165 2.14502 -100.52249 620.01381
3345.0000 -103.42538 -100.14614 3.27924 2.14507 -100.52187 664.27690
3350.0000 -104.60847 -101.00224 3.60623 2.09993 -101.07583 622.71265
3355.0000 -104.87440 -100.33538 4.53902 2.14334 -100.54306 673.98124
3360.0000 -103.22507 -98.69156 4.53352 2.24857 -99.25156 742.58740
3365.0000 -103.71004 -100.22140 3.48864 2.19918 -99.85773 680.32707
3370.0000 -103.58259 -99.97485 3.60774 2.17117 -100.20151 692.58585
3375.0000 -103.71959 -100.00557 3.71402 2.20066 -99.83950 729.19732
3380.0000 -103.86135 -100.39488 3.46647 2.15391 -100.41339 681.76272
3385.0000 -103.59752 -100.50417 3.09335 2.10907 -100.96368 621.83661
3390.0000 -104.63943 -100.90733 3.73210 2.15351 -100.41822 670.35752
3395.0000 -104.65204 -101.02063 3.63140 2.08142 -101.30307 614.65573
3400.0000 -102.67400 -99.05492 3.61908 2.22489 -99.54212 693.98489
3405.0000 -103.34809 -99.22300 4.12509 2.23676 -99.39651 668.84674
3410.0000 -104.03882 -101.14415 2.89466 2.21616 -99.64930 696.91458
3415.0000 -103.44354 -99.67619 3.76734 2.16475 -100.28026 664.59748
3420.0000 -103.38278 -98.82508 4.55770 2.19533 -99.90502 709.90900
3425.0000 -103.82375 -99.94112 3.88264 2.21676 -99.64197 710.43015
3430.0000 -103.78889 -100.33440 3.45449 2.18110 -100.07963 702.09968
3435.0000 -103.93459 -99.21024 4.72435 2.21396 -99.67636 751.52247
3440.0000 -104.73355 -101.10874 3.62480 2.17800 -100.11762 696.49640
3445.0000 -103.88795 -99.49439 4.39355 2.16338 -100.29705 681.87216
3450.0000 -103.28386 -99.50471 3.77915 2.21416 -99.67379 706.95840
3455.0000 -104.04008 -100.29031 3.74977 2.18956 -99.97577 687.01729
3460.0000 -103.43776 -99.70082 3.73694 2.18486 -100.03347 687.36973
3465.0000 -103.63563 -99.72697 3.90867 2.21162 -99.70501 686.99146
3470.0000 -103.27248 -99.31953 3.95295 2.21148 -99.70670 690.42319
3475.0000 -104.04453 -100.44391 3.60062 2.17647 -100.13639 662.35143
3480.0000 -103.96180 -99.80368 4.15812 2.20505 -99.78570 685.54095
3485.0000 -104.58913 -101.31036 3.27877 2.12695 -100.74431 628.03811
3490.0000 -104.61732 -101.26757 3.34975 2.10549 -101.00761 631.98877
3495.0000 -104.74375 -100.72924 4.01451 2.09631 -101.12026 629.88220
3500.0000 -102.24902 -99.14696 3.10207 2.24317 -99.31774 736.30107
FREEZING PROCESS: loop number 15 T-loop= 685.00000000000000
main_MD> interactions number 15 at Temperature= 685.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94845 1.17672 2.12200
force_rgl> df(natom) 3.06860 0.08381 -0.94626
3505.0000 -104.25631 -100.09602 4.16029 2.25249 -99.20336 721.34690
3510.0000 -103.10339 -99.55311 3.55028 2.27062 -98.98082 769.28499
3515.0000 -103.93006 -99.88575 4.04431 2.20007 -99.84676 697.82461
3520.0000 -103.54967 -99.42412 4.12555 2.19877 -99.86273 688.81951
3525.0000 -103.27480 -99.35746 3.91734 2.25170 -99.21311 769.37122
3530.0000 -104.64687 -100.62864 4.01823 2.21939 -99.60962 717.01692
3535.0000 -103.64121 -99.71955 3.92166 2.20554 -99.77959 710.15478
3540.0000 -102.61142 -99.34144 3.26998 2.22650 -99.52240 715.91537
3545.0000 -102.45639 -98.49087 3.96552 2.30030 -98.61660 793.76061
3550.0000 -102.65373 -98.55726 4.09647 2.26406 -99.06142 743.89769
3555.0000 -104.25899 -99.70123 4.55775 2.28407 -98.81576 712.40236
3560.0000 -103.35156 -100.21822 3.13334 2.22814 -99.50231 700.99273
3565.0000 -105.04597 -100.86694 4.17903 2.12423 -100.77767 625.84813
3570.0000 -104.98305 -101.65308 3.32997 2.07675 -101.36044 608.05943
3575.0000 -104.29741 -100.20048 4.09693 2.08811 -101.22092 601.92534
3580.0000 -104.88705 -101.31071 3.57634 2.16109 -100.32520 663.37839
3585.0000 -104.36312 -99.94481 4.41830 2.15326 -100.42129 659.12970
3590.0000 -103.81084 -100.64003 3.17081 2.15710 -100.37424 670.51372
3595.0000 -104.44510 -100.90818 3.53692 2.09538 -101.13171 610.79277
3600.0000 -103.29237 -99.76717 3.52520 2.14872 -100.47708 657.71631
3605.0000 -103.15902 -100.21348 2.94554 2.19260 -99.93851 663.76202
3610.0000 -103.51597 -100.09100 3.42497 2.18288 -100.05777 671.34549
3615.0000 -104.73485 -100.93122 3.80364 2.15064 -100.45350 658.48054
3620.0000 -103.53953 -99.28638 4.25316 2.19565 -99.90109 682.19333
3625.0000 -103.61255 -98.91133 4.70122 2.28994 -98.74374 748.76955
3630.0000 -102.65020 -99.56079 3.08940 2.24935 -99.24188 736.44681
3635.0000 -103.03804 -98.90027 4.13778 2.20787 -99.75101 692.11943
3640.0000 -102.84110 -98.87256 3.96854 2.29450 -98.68773 746.85392
3645.0000 -103.61977 -99.47964 4.14014 2.26664 -99.02967 747.80000
3650.0000 -103.79389 -99.29450 4.49939 2.24123 -99.34156 757.80077
3655.0000 -102.78925 -99.62187 3.16738 2.20704 -99.76119 693.18834
3660.0000 -103.99870 -100.95085 3.04784 2.17517 -100.15240 645.77474
3665.0000 -103.71157 -100.41833 3.29324 2.09706 -101.11108 623.59478
3670.0000 -104.55419 -100.58476 3.96943 2.17629 -100.13868 671.94959
3675.0000 -104.19368 -100.97029 3.22338 2.11311 -100.91409 622.06517
3680.0000 -103.66462 -100.46292 3.20170 2.12902 -100.71879 653.34655
3685.0000 -105.19342 -100.65908 4.53434 2.13152 -100.68810 641.54636
3690.0000 -103.85569 -100.33651 3.51918 2.11794 -100.85485 606.22847
3695.0000 -104.19249 -100.65901 3.53348 2.14857 -100.47883 660.67362
3700.0000 -104.29823 -100.93156 3.36668 2.14882 -100.47578 679.69227
3705.0000 -104.43431 -101.44543 2.98889 2.08771 -101.22582 631.33576
3710.0000 -104.32256 -100.58724 3.73532 2.13553 -100.63899 659.25779
3715.0000 -103.76627 -100.02440 3.74186 2.16530 -100.27357 684.13545
3720.0000 -104.84293 -100.73469 4.10825 2.18032 -100.08922 695.24243
3725.0000 -104.99200 -101.23772 3.75428 2.12940 -100.71419 651.53727
3730.0000 -104.63670 -100.35305 4.28365 2.13900 -100.59629 668.59360
3735.0000 -104.38628 -101.49360 2.89268 2.07471 -101.38546 566.30621
3740.0000 -103.58453 -100.50103 3.08350 2.10572 -101.00485 611.75295
3745.0000 -104.71477 -101.37322 3.34154 2.11564 -100.88308 627.09700
3750.0000 -103.97621 -100.12970 3.84651 2.14426 -100.53174 654.78612
FREEZING PROCESS: loop number 16 T-loop= 660.00000000000000
main_MD> interactions number 16 at Temperature= 660.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22918 -4.73830 -1.16567
force_rgl> df(natom) -1.78993 -1.18411 4.67745
3755.0000 -104.15180 -101.19066 2.96114 2.15259 -100.42954 678.09363
3760.0000 -104.60147 -101.51422 3.08725 2.07443 -101.38883 605.53189
3765.0000 -104.70052 -101.23305 3.46746 2.09654 -101.11747 620.22780
3770.0000 -104.19105 -100.50251 3.68854 2.17245 -100.18576 670.28191
3775.0000 -102.95141 -98.98524 3.96618 2.22615 -99.52666 699.46702
3780.0000 -103.73397 -100.71776 3.01621 2.17854 -100.11109 650.05587
3785.0000 -104.25898 -100.96212 3.29686 2.15150 -100.44297 624.68104
3790.0000 -103.92446 -100.57809 3.34637 2.11775 -100.85712 623.72198
3795.0000 -103.92651 -99.80670 4.11981 2.17382 -100.16899 638.06447
3800.0000 -103.23853 -98.73172 4.50680 2.28265 -98.83321 741.32565
3805.0000 -104.13660 -99.86736 4.26923 2.25614 -99.15864 715.58997
3810.0000 -103.97199 -100.27436 3.69763 2.14952 -100.46717 633.66939
3815.0000 -103.56351 -101.01370 2.54981 2.12392 -100.78148 616.18417
3820.0000 -104.73347 -101.47283 3.26064 2.10509 -101.01254 609.07120
3825.0000 -103.83037 -100.07847 3.75190 2.15009 -100.46020 648.79510
3830.0000 -103.43549 -100.58412 2.85136 2.17612 -100.14077 669.12025
3835.0000 -104.42063 -101.01739 3.40325 2.16132 -100.32240 657.45543
3840.0000 -103.15345 -100.60900 2.54445 2.12448 -100.77453 604.43143
3845.0000 -104.55264 -101.13114 3.42150 2.10344 -101.03276 597.60719
3850.0000 -104.07596 -100.64135 3.43461 2.11398 -100.90349 654.54273
3855.0000 -104.57972 -100.52723 4.05248 2.18616 -100.01745 697.80464
3860.0000 -104.64356 -100.43027 4.21329 2.13535 -100.64109 647.18077
3865.0000 -104.68105 -100.74388 3.93717 2.10428 -101.02245 625.65731
3870.0000 -105.13451 -101.07472 4.05979 2.12064 -100.82165 661.77061
3875.0000 -104.56195 -100.74277 3.81918 2.13922 -100.59363 677.52645
3880.0000 -104.50511 -100.81213 3.69298 2.10003 -101.07461 642.59609
3885.0000 -104.54308 -101.43603 3.10705 2.11059 -100.94504 619.56248
3890.0000 -103.75005 -100.46195 3.28810 2.11553 -100.88436 622.67988
3895.0000 -104.72754 -101.63957 3.08796 2.11537 -100.88634 631.68991
3900.0000 -104.75899 -101.90898 2.85001 2.02780 -101.96122 552.16915
3905.0000 -105.02645 -101.38483 3.64161 2.08295 -101.28427 614.04949
3910.0000 -104.71978 -101.54435 3.17543 2.06617 -101.49025 602.94138
3915.0000 -105.34241 -102.17079 3.17162 2.03315 -101.89552 576.08548
3920.0000 -104.76852 -101.34419 3.42433 2.04848 -101.70737 590.31660
3925.0000 -104.18346 -100.11968 4.06379 2.14956 -100.46671 645.45959
3930.0000 -104.14001 -99.76192 4.37809 2.18452 -100.03760 686.18970
3935.0000 -104.47928 -100.98959 3.48969 2.16151 -100.32009 668.73121
3940.0000 -104.77100 -100.57919 4.19180 2.09731 -101.10798 631.89828
3945.0000 -104.95949 -100.91053 4.04896 2.11908 -100.84088 658.64899
3950.0000 -104.08976 -100.99021 3.09954 2.08906 -101.20933 614.51877
3955.0000 -103.87524 -100.88512 2.99013 2.09794 -101.10036 624.34455
3960.0000 -104.33770 -100.30361 4.03410 2.13462 -100.65005 659.05146
3965.0000 -104.08152 -100.40950 3.67202 2.16269 -100.30557 678.17488
3970.0000 -103.19395 -99.59384 3.60011 2.22314 -99.56369 727.67909
3975.0000 -103.63995 -100.26658 3.37337 2.15543 -100.39463 640.59151
3980.0000 -104.05596 -99.87005 4.18591 2.18984 -99.97236 689.27818
3985.0000 -103.79095 -100.38916 3.40179 2.17925 -100.10237 643.41784
3990.0000 -103.42978 -100.02783 3.40195 2.14763 -100.49039 631.18509
3995.0000 -104.53923 -100.41550 4.12372 2.13472 -100.64888 676.33187
4000.0000 -102.91434 -98.88649 4.02785 2.18026 -100.08991 709.14918
FREEZING PROCESS: loop number 17 T-loop= 635.00000000000000
main_MD> interactions number 17 at Temperature= 635.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -8.18534 1.55244 3.82331
force_rgl> df(natom) -0.77977 -2.41441 -1.69063
4005.0000 -104.05933 -101.19052 2.86882 2.16713 -100.25109 665.28420
4010.0000 -103.71564 -100.75282 2.96283 2.14188 -100.56106 627.27384
4015.0000 -104.31478 -100.86385 3.45093 2.10657 -100.99437 617.05103
4020.0000 -104.83260 -100.94495 3.88765 2.09627 -101.12077 641.28891
4025.0000 -104.59283 -100.52203 4.07080 2.10052 -101.06859 627.94464
4030.0000 -104.97078 -101.08731 3.88347 2.14179 -100.56206 688.49609
4035.0000 -104.22701 -101.10782 3.11919 2.07412 -101.39272 593.91906
4040.0000 -104.65633 -101.01842 3.63791 2.10073 -101.06603 608.25967
4045.0000 -104.03580 -101.14735 2.88844 2.11660 -100.87125 634.83210
4050.0000 -103.54637 -99.80086 3.74551 2.14445 -100.52949 661.78056
4055.0000 -104.10175 -100.80188 3.29988 2.14395 -100.53562 681.14182
4060.0000 -103.84858 -100.42900 3.41957 2.15277 -100.42728 684.45412
4065.0000 -104.13758 -100.23873 3.89885 2.15853 -100.35668 659.20014
4070.0000 -104.22619 -100.48721 3.73898 2.19181 -99.94820 712.31343
4075.0000 -105.06172 -101.15736 3.90436 2.13589 -100.63453 657.79521
4080.0000 -104.59980 -101.66999 2.92981 2.04206 -101.78618 560.17943
4085.0000 -104.67211 -101.25586 3.41625 2.07550 -101.37576 575.87688
4090.0000 -104.38368 -101.26711 3.11657 2.06964 -101.44761 590.15503
4095.0000 -104.87570 -101.58222 3.29348 2.06536 -101.50023 606.33130
4100.0000 -103.52593 -99.83710 3.68883 2.10275 -101.04126 629.06143
4105.0000 -103.79773 -99.05014 4.74759 2.24115 -99.34261 706.74098
4110.0000 -103.75551 -99.58201 4.17350 2.24001 -99.35654 748.69027
4115.0000 -103.43624 -100.04524 3.39100 2.20738 -99.75700 724.28974
4120.0000 -104.34997 -100.56415 3.78583 2.15600 -100.38766 655.44548
4125.0000 -104.20021 -101.10118 3.09902 2.11218 -100.92556 601.42964
4130.0000 -104.17458 -100.62179 3.55279 2.11233 -100.92365 598.78470
4135.0000 -104.33670 -100.37496 3.96175 2.13867 -100.60041 664.73790
4140.0000 -104.48556 -100.64712 3.83844 2.15022 -100.45866 682.03163
4145.0000 -104.33010 -100.60053 3.72957 2.08905 -101.20946 598.15572
4150.0000 -104.81751 -101.32983 3.48768 2.11427 -100.89984 600.28309
4155.0000 -104.02153 -100.53843 3.48310 2.09845 -101.09410 605.61023
4160.0000 -103.93630 -100.01137 3.92494 2.16252 -100.30763 662.00068
4165.0000 -104.57214 -101.43884 3.13330 2.11164 -100.93221 601.67358
4170.0000 -105.05269 -101.25772 3.79497 2.07631 -101.36581 584.40398
4175.0000 -104.10852 -100.80590 3.30262 2.13806 -100.60786 649.27277
4180.0000 -105.57007 -101.75453 3.81554 2.08649 -101.24081 619.92335
4185.0000 -104.28910 -100.90667 3.38243 2.12120 -100.81480 644.99081
4190.0000 -103.41239 -99.93399 3.47840 2.16346 -100.29615 677.56752
4195.0000 -103.45028 -99.92172 3.52856 2.16692 -100.25361 662.20636
4200.0000 -104.08265 -99.48082 4.60183 2.19098 -99.95831 691.35327
4205.0000 -103.63652 -99.58939 4.04713 2.23112 -99.46570 730.13599
4210.0000 -103.87092 -100.34840 3.52252 2.15723 -100.37262 649.03944
4215.0000 -104.49356 -101.60963 2.88392 2.11462 -100.89556 627.73223
4220.0000 -104.84641 -101.83636 3.01005 2.07148 -101.42511 608.06698
4225.0000 -105.14346 -101.70972 3.43373 2.06660 -101.48493 606.73545
4230.0000 -105.05935 -102.06210 2.99726 2.03476 -101.87574 570.14958
4235.0000 -104.59184 -101.47515 3.11669 2.02892 -101.94744 566.37922
4240.0000 -105.45578 -101.33870 4.11709 2.07440 -101.38919 625.88629
4245.0000 -104.70570 -101.36722 3.33848 2.08582 -101.24906 617.42815
4250.0000 -104.56265 -101.48493 3.07772 2.02396 -102.00834 545.84815
FREEZING PROCESS: loop number 18 T-loop= 610.00000000000000
main_MD> interactions number 18 at Temperature= 610.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.17412 -1.05993 0.99360
force_rgl> df(natom) 0.62777 2.75509 -2.25556
4255.0000 -104.50294 -101.51893 2.98402 2.03527 -101.86951 579.93229
4260.0000 -103.95333 -100.59417 3.35915 2.06116 -101.55171 586.48358
4265.0000 -104.11623 -101.36404 2.75219 2.09575 -101.12718 631.38485
4270.0000 -103.51223 -100.38051 3.13173 2.12724 -100.74064 657.18906
4275.0000 -103.83494 -100.49759 3.33734 2.15165 -100.44110 682.48599
4280.0000 -104.73870 -100.68232 4.05637 2.14072 -100.57529 654.12423
4285.0000 -103.82787 -100.42124 3.40663 2.12661 -100.74844 649.51007
4290.0000 -104.23569 -100.85515 3.38054 2.08510 -101.25789 593.03676
4295.0000 -104.26050 -100.53882 3.72169 2.12550 -100.76206 628.48127
4300.0000 -104.43544 -101.75646 2.67898 2.06837 -101.46328 591.34226
4305.0000 -105.37229 -102.04990 3.32239 2.05632 -101.61109 577.41659
4310.0000 -105.60424 -102.68631 2.91793 2.04586 -101.73955 584.00325
4315.0000 -105.73555 -103.07913 2.65642 1.94279 -103.00460 516.80382
4320.0000 -105.17466 -102.36771 2.80695 1.94339 -102.99717 497.24235
4325.0000 -104.73452 -101.68562 3.04890 2.05499 -101.62744 568.12342
4330.0000 -104.93723 -101.78524 3.15199 2.06725 -101.47705 591.62102
4335.0000 -104.05355 -100.48779 3.56576 2.11205 -100.92709 609.15662
4340.0000 -104.53225 -101.27090 3.26135 2.10297 -101.03856 637.27784
4345.0000 -105.26891 -101.70237 3.56654 2.08823 -101.21954 614.18602
4350.0000 -104.68257 -101.01046 3.67211 2.06491 -101.50567 590.13618
4355.0000 -105.27181 -101.45786 3.81395 2.11556 -100.88406 656.22877
4360.0000 -105.31012 -102.10773 3.20239 2.03585 -101.86240 566.33920
4365.0000 -104.75420 -101.42879 3.32540 2.07907 -101.33192 604.36168
4370.0000 -104.91814 -101.04239 3.87575 2.05871 -101.58186 567.97694
4375.0000 -104.67229 -101.86171 2.81058 2.03788 -101.83746 568.09042
4380.0000 -104.41186 -101.04451 3.36736 2.02579 -101.98587 544.19574
4385.0000 -104.07009 -100.03156 4.03853 2.16785 -100.24225 701.67218
4390.0000 -105.36295 -101.39185 3.97110 2.11644 -100.87329 642.80773
4395.0000 -104.23273 -100.77369 3.45905 2.09254 -101.16655 621.98639
4400.0000 -105.04616 -102.05319 2.99297 2.10736 -100.98475 634.13850
4405.0000 -105.09223 -102.19606 2.89617 2.02526 -101.99236 566.97936
4410.0000 -104.88270 -101.62289 3.25981 2.01293 -102.14371 562.48947
4415.0000 -104.58751 -101.18296 3.40454 2.11078 -100.94272 635.25999
4420.0000 -104.75976 -101.76414 2.99563 2.07769 -101.34881 573.98087
4425.0000 -105.34195 -101.68225 3.65970 2.05599 -101.61524 605.04889
4430.0000 -104.57799 -101.29185 3.28615 2.04488 -101.75159 594.05199
4435.0000 -104.53769 -100.75524 3.78245 2.12110 -100.81605 635.75830
4440.0000 -104.68364 -101.37280 3.31084 2.10229 -101.04686 641.26587
4445.0000 -105.54722 -102.85631 2.69091 2.00853 -102.19777 569.03796
4450.0000 -105.17194 -102.41734 2.75460 1.95519 -102.85245 491.72975
4455.0000 -105.24274 -102.54094 2.70180 1.96462 -102.73668 495.77127
4460.0000 -104.29046 -101.12232 3.16814 2.07591 -101.37073 585.99566
4465.0000 -103.88814 -100.10415 3.78399 2.14390 -100.53619 657.51891
4470.0000 -103.94292 -100.42892 3.51400 2.16829 -100.23685 668.39759
4475.0000 -104.18857 -101.39310 2.79546 2.07646 -101.36397 601.86911
4480.0000 -104.11259 -101.15629 2.95630 2.11752 -100.85999 622.58385
4485.0000 -104.76707 -101.62181 3.14526 2.05148 -101.67053 536.03314
4490.0000 -104.82618 -101.03356 3.79263 2.12245 -100.79951 634.12826
4495.0000 -103.90020 -100.81490 3.08529 2.12833 -100.72734 657.59755
4500.0000 -104.28046 -101.15563 3.12483 2.11802 -100.85387 628.42527
FREEZING PROCESS: loop number 19 T-loop= 585.00000000000000
main_MD> interactions number 19 at Temperature= 585.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31551 0.38164 1.55938
force_rgl> df(natom) 3.17464 -1.83112 -0.07678
4505.0000 -105.09163 -101.39605 3.69559 2.10564 -101.00577 624.85390
4510.0000 -105.09829 -101.27484 3.82345 2.04892 -101.70193 586.42890
4515.0000 -104.35948 -100.85412 3.50535 2.11358 -100.90838 637.94017
4520.0000 -104.83431 -101.20588 3.62843 2.08093 -101.30904 603.14003
4525.0000 -104.53989 -101.06193 3.47796 2.09822 -101.09683 598.88385
4530.0000 -104.89380 -102.05153 2.84227 2.09782 -101.10174 639.26259
4535.0000 -104.44388 -101.08021 3.36366 2.05446 -101.63400 574.25034
4540.0000 -105.14645 -101.96960 3.17685 2.06962 -101.44789 604.76681
4545.0000 -105.73584 -102.25808 3.47776 2.02533 -101.99145 547.04570
4550.0000 -104.87660 -102.17070 2.70591 2.01818 -102.07924 561.92497
4555.0000 -104.65116 -101.50009 3.15107 2.01893 -102.07005 538.90719
4560.0000 -104.55202 -101.27504 3.27698 2.06870 -101.45917 595.77421
4565.0000 -105.35766 -102.81974 2.53793 2.05856 -101.58364 569.39147
4570.0000 -104.37040 -101.73123 2.63917 2.04193 -101.78782 565.86838
4575.0000 -105.24547 -101.68440 3.56107 2.02517 -101.99344 547.84689
4580.0000 -105.25643 -101.93590 3.32054 2.06635 -101.48802 587.75369
4585.0000 -104.45106 -101.27718 3.17388 2.04854 -101.70661 600.85845
4590.0000 -104.98710 -101.57508 3.41203 2.05932 -101.57428 591.31048
4595.0000 -105.13767 -101.82792 3.30974 2.06591 -101.49347 601.47061
4600.0000 -104.91882 -101.60775 3.31107 2.04177 -101.78968 570.96734
4605.0000 -104.49357 -100.80600 3.68756 2.07043 -101.43796 613.87543
4610.0000 -104.46378 -101.59749 2.86629 2.09657 -101.11711 612.78334
4615.0000 -105.18376 -101.56156 3.62221 2.06738 -101.47536 566.98772
4620.0000 -104.72728 -101.43512 3.29215 2.07466 -101.38603 607.31318
4625.0000 -106.10165 -102.44001 3.66164 2.02004 -102.05641 587.16662
4630.0000 -105.26885 -101.09020 4.17866 2.04372 -101.76578 593.83010
4635.0000 -104.95653 -101.67532 3.28121 2.05395 -101.64024 613.08059
4640.0000 -104.94750 -101.87991 3.06760 2.05950 -101.57210 586.36742
4645.0000 -105.87819 -102.65460 3.22359 2.01148 -102.16155 558.23571
4650.0000 -104.94162 -101.57976 3.36185 2.02175 -102.03540 580.37453
4655.0000 -103.93892 -100.89431 3.04461 2.05467 -101.63144 569.13419
4660.0000 -104.86403 -101.31259 3.55144 2.09322 -101.15823 609.32692
4665.0000 -105.54431 -102.29645 3.24786 2.03836 -101.83164 576.55742
4670.0000 -104.63034 -101.53402 3.09632 1.99667 -102.34327 509.27486
4675.0000 -105.14603 -101.51857 3.62746 2.08009 -101.31936 624.98683
4680.0000 -105.63298 -102.44391 3.18907 2.00090 -102.29132 557.89905
4685.0000 -105.20694 -101.63649 3.57045 2.04343 -101.76940 594.84055
4690.0000 -105.67371 -102.16644 3.50727 2.02873 -101.94981 594.97131
4695.0000 -105.36821 -102.23091 3.13730 1.98559 -102.47923 558.57133
4700.0000 -105.47083 -102.44164 3.02919 2.00766 -102.20842 572.80845
4705.0000 -105.30390 -101.44988 3.85403 2.01122 -102.16463 552.94461
4710.0000 -104.90969 -101.95590 2.95379 2.03785 -101.83785 566.78598
4715.0000 -105.47699 -101.82087 3.65613 2.00562 -102.23341 541.01302
4720.0000 -104.92196 -101.49749 3.42447 2.06540 -101.49974 590.57777
4725.0000 -105.17290 -102.22448 2.94842 2.04906 -101.70023 584.91530
4730.0000 -105.29290 -102.38721 2.90568 1.95089 -102.90516 501.33875
4735.0000 -105.45595 -102.41617 3.03978 2.00890 -102.19316 553.64787
4740.0000 -105.46103 -102.77258 2.68845 1.97144 -102.65299 527.43569
4745.0000 -105.18111 -101.80783 3.37328 2.00787 -102.20579 545.68268
4750.0000 -105.11083 -102.09932 3.01150 2.01975 -102.05994 542.23704
FREEZING PROCESS: loop number 20 T-loop= 560.00000000000000
main_MD> interactions number 20 at Temperature= 560.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.93291 -2.10372 -1.08095
force_rgl> df(natom) 0.42042 -0.67824 -1.80449
4755.0000 -105.52544 -102.36950 3.15594 1.99331 -102.38454 528.88730
4760.0000 -104.72962 -101.98002 2.74960 2.01866 -102.07342 558.82482
4765.0000 -104.05909 -100.73864 3.32045 2.05740 -101.59785 581.34904
4770.0000 -105.11090 -102.08625 3.02465 2.06740 -101.47518 582.80941
4775.0000 -104.64516 -101.03373 3.61143 2.06781 -101.47013 550.69946
4780.0000 -105.41461 -102.60066 2.81394 2.04712 -101.72412 559.06307
4785.0000 -104.80822 -101.69929 3.10893 2.04870 -101.70461 564.92434
4790.0000 -105.12299 -101.85937 3.26362 2.04889 -101.70233 580.61773
4795.0000 -106.32247 -103.02697 3.29550 2.01721 -102.09114 590.16750
4800.0000 -105.40498 -102.72473 2.68024 1.95469 -102.85849 499.73722
4805.0000 -104.99079 -101.49633 3.49446 2.01181 -102.15745 541.15681
4810.0000 -105.23231 -102.37889 2.85342 2.04869 -101.70474 568.73380
4815.0000 -104.50353 -101.98516 2.51837 2.02534 -101.99137 584.05964
4820.0000 -104.92099 -102.15873 2.76226 1.98854 -102.44301 523.33944
4825.0000 -106.08299 -103.03722 3.04577 1.97743 -102.57944 545.67027
4830.0000 -105.50518 -102.87477 2.63041 1.92649 -103.20462 493.85213
4835.0000 -105.17494 -102.48936 2.68558 1.95274 -102.88246 528.86382
4840.0000 -105.76139 -102.70495 3.05644 2.00346 -102.25989 542.53995
4845.0000 -105.36704 -102.71952 2.64753 1.98852 -102.44330 531.32098
4850.0000 -105.29837 -102.73601 2.56237 1.97298 -102.63404 527.61777
4855.0000 -104.78798 -101.57135 3.21663 1.99390 -102.37722 530.18756
4860.0000 -105.23535 -102.03889 3.19646 2.04106 -101.79840 587.89182
4865.0000 -104.23690 -101.07890 3.15800 2.03398 -101.88529 552.03156
4870.0000 -104.50635 -101.48924 3.01711 2.05005 -101.68808 544.04691
4875.0000 -104.36809 -101.68117 2.68692 2.09068 -101.18938 596.93330
4880.0000 -105.11132 -101.71603 3.39528 2.05692 -101.60374 567.95750
4885.0000 -104.46153 -101.53044 2.93110 2.02459 -102.00059 558.69297
4890.0000 -105.21013 -102.10332 3.10681 2.05179 -101.66674 595.65329
4895.0000 -105.65289 -102.50862 3.14427 2.00447 -102.24754 553.21452
4900.0000 -105.22253 -102.17545 3.04708 1.95797 -102.81824 512.10646
4905.0000 -104.48085 -101.17103 3.30982 2.04908 -101.70003 584.93645
4910.0000 -105.13841 -101.69299 3.44542 2.07788 -101.34647 626.63473
4915.0000 -105.15998 -101.83717 3.32281 2.03040 -101.92929 576.68311
4920.0000 -105.21762 -102.09180 3.12582 2.01517 -102.11623 562.28757
4925.0000 -104.81585 -101.52607 3.28978 2.05290 -101.65313 594.04129
4930.0000 -104.61113 -101.31723 3.29391 2.08719 -101.23225 607.65006
4935.0000 -104.82162 -101.90944 2.91218 2.05391 -101.64067 589.02637
4940.0000 -105.21492 -102.45112 2.76379 2.02065 -102.04895 561.44555
4945.0000 -105.52284 -102.51606 3.00677 1.97800 -102.57242 519.86861
4950.0000 -105.11035 -102.25008 2.86027 1.96695 -102.70808 502.74716
4955.0000 -104.25507 -101.37689 2.87819 2.06526 -101.50137 593.96097
4960.0000 -105.00340 -102.40491 2.59849 2.03667 -101.85228 587.29385
4965.0000 -104.85618 -101.60812 3.24805 2.05850 -101.58443 606.02096
4970.0000 -105.19459 -102.05406 3.14053 2.05049 -101.68272 594.33115
4975.0000 -105.20635 -101.76791 3.43844 2.00701 -102.21641 547.79983
4980.0000 -104.43338 -101.97205 2.46133 2.03274 -101.90055 564.42248
4985.0000 -105.19345 -101.94789 3.24556 2.03197 -101.91003 509.52971
4990.0000 -104.98012 -101.51819 3.46193 2.06408 -101.51595 572.12105
4995.0000 -105.62465 -102.69351 2.93114 2.04215 -101.78507 570.90624
5000.0000 -105.59009 -102.58424 3.00585 1.98160 -102.52820 522.26739
FREEZING PROCESS: loop number 21 T-loop= 535.00000000000000
main_MD> interactions number 21 at Temperature= 535.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.35044 -2.26895 0.79485
force_rgl> df(natom) 0.66090 -1.77752 1.00469
5005.0000 -105.33047 -102.40197 2.92850 1.97943 -102.55484 536.53278
5010.0000 -105.71454 -102.61574 3.09880 2.00032 -102.29844 560.80424
5015.0000 -105.43214 -102.38323 3.04891 1.96992 -102.67160 523.20725
5020.0000 -105.70202 -102.64450 3.05752 1.98602 -102.47398 541.82656
5025.0000 -105.77268 -102.99319 2.77949 1.97338 -102.62912 520.09195
5030.0000 -105.24558 -102.58995 2.65563 1.95472 -102.85821 494.46641
5035.0000 -105.32519 -101.94057 3.38462 2.01747 -102.08794 558.59860
5040.0000 -105.34808 -102.36413 2.98395 2.02928 -101.94305 586.20856
5045.0000 -105.46999 -102.30564 3.16435 1.99313 -102.38678 576.48956
5050.0000 -105.31814 -102.58268 2.73546 1.96340 -102.75165 520.31659
5055.0000 -105.54009 -102.41024 3.12985 1.97907 -102.55933 508.59434
5060.0000 -105.27958 -102.14516 3.13442 2.02051 -102.05069 580.86629
5065.0000 -105.27459 -102.32166 2.95292 1.99829 -102.32343 558.11214
5070.0000 -105.52012 -102.57743 2.94269 2.00059 -102.29515 538.18877
5075.0000 -105.46794 -102.48894 2.97900 1.95167 -102.89561 509.49891
5080.0000 -105.38379 -102.15984 3.22396 2.01959 -102.06201 551.85937
5085.0000 -105.71506 -102.87802 2.83705 1.95842 -102.81272 538.76159
5090.0000 -105.30714 -102.12819 3.17895 1.95681 -102.83251 511.15838
5095.0000 -105.78404 -102.24583 3.53821 2.01149 -102.16135 582.94784
5100.0000 -105.15739 -102.45357 2.70382 2.01183 -102.15718 547.40139
5105.0000 -105.62928 -102.41361 3.21567 1.97559 -102.60202 486.36730
5110.0000 -104.22963 -101.39931 2.83031 2.06576 -101.49523 570.68041
5115.0000 -104.83459 -101.78982 3.04477 2.06537 -101.50012 601.55796
5120.0000 -105.72892 -102.16063 3.56829 2.01589 -102.10740 552.33112
5125.0000 -105.28777 -101.19284 4.09493 2.04779 -101.71587 592.13707
5130.0000 -104.78617 -101.46561 3.32055 2.03336 -101.89298 572.03474
5135.0000 -105.24977 -102.33940 2.91037 2.01524 -102.11534 550.58116
5140.0000 -105.91683 -103.32189 2.59494 1.93829 -103.05986 488.46616
5145.0000 -105.51777 -102.86420 2.65356 1.94619 -102.96281 487.31035
5150.0000 -105.65096 -102.34144 3.30952 1.96313 -102.75490 522.96827
5155.0000 -105.57732 -102.74763 2.82969 1.99426 -102.37280 534.97822
5160.0000 -106.57026 -103.59512 2.97514 1.94967 -102.92015 511.62206
5165.0000 -105.97170 -103.38479 2.58691 1.92475 -103.22607 505.37873
5170.0000 -105.92078 -103.28166 2.63911 1.91200 -103.38251 464.74828
5175.0000 -105.22875 -102.57175 2.65700 1.94314 -103.00029 481.00458
5180.0000 -104.86964 -101.61787 3.25177 2.01475 -102.12132 571.47122
5185.0000 -104.93524 -102.44873 2.48650 2.02630 -101.97955 572.20546
5190.0000 -105.41575 -102.85841 2.55735 1.93074 -103.15253 466.02490
5195.0000 -105.87376 -102.91781 2.95595 1.96172 -102.77229 489.00258
5200.0000 -105.18334 -101.84308 3.34026 1.99750 -102.33309 553.73103
5205.0000 -105.71184 -102.30027 3.41157 2.01044 -102.17425 567.08864
5210.0000 -106.66925 -103.30363 3.36562 1.95677 -102.83305 533.43159
5215.0000 -106.18085 -103.59982 2.58103 1.89743 -103.56127 488.71767
5220.0000 -105.79543 -103.00685 2.78858 1.93239 -103.13222 502.19031
5225.0000 -105.76844 -103.00567 2.76277 1.94445 -102.98416 491.39915
5230.0000 -105.78799 -102.80734 2.98064 1.95934 -102.80141 522.32956
5235.0000 -105.23479 -101.26318 3.97161 2.02018 -102.05471 557.02773
5240.0000 -103.96862 -100.80021 3.16841 2.11448 -100.89734 605.29617
5245.0000 -105.07225 -101.41281 3.65944 2.08750 -101.22848 625.07598
5250.0000 -105.23425 -102.77401 2.46024 1.99164 -102.40505 547.17629
FREEZING PROCESS: loop number 22 T-loop= 510.00000000000000
main_MD> interactions number 22 at Temperature= 510.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18132 0.89204 0.71631
force_rgl> df(natom) -0.82014 2.12634 1.44674
5255.0000 -105.54135 -102.83440 2.70695 1.96429 -102.74074 516.19380
5260.0000 -105.82377 -103.09511 2.72866 1.95229 -102.88802 505.71448
5265.0000 -106.12763 -103.38470 2.74293 1.94002 -103.03861 506.55246
5270.0000 -105.80585 -103.28384 2.52201 1.89320 -103.61325 472.19608
5275.0000 -105.92433 -102.92325 3.00109 1.93571 -103.09151 487.33267
5280.0000 -105.47404 -102.75873 2.71531 1.96694 -102.70815 512.48385
5285.0000 -105.80271 -102.80529 2.99742 1.96176 -102.77175 495.07450
5290.0000 -106.03667 -103.35637 2.68029 1.92075 -103.27514 494.63300
5295.0000 -105.40966 -102.52361 2.88605 1.94441 -102.98472 504.18216
5300.0000 -105.99816 -102.97252 3.02564 1.95327 -102.87591 513.11262
5305.0000 -104.89416 -102.74065 2.15351 1.96481 -102.73431 486.25065
5310.0000 -105.39461 -102.86695 2.52766 1.95983 -102.79540 491.26813
5315.0000 -105.16160 -102.64473 2.51687 1.97119 -102.65597 489.36443
5320.0000 -105.37716 -102.73562 2.64153 1.92160 -103.26473 459.96016
5325.0000 -105.55869 -102.38944 3.16925 1.97048 -102.66478 521.46323
5330.0000 -105.82255 -103.15426 2.66829 1.92279 -103.25011 477.94063
5335.0000 -106.03568 -102.98247 3.05321 1.93276 -103.12763 505.65788
5340.0000 -105.93896 -103.41964 2.51932 1.90288 -103.49446 470.05704
5345.0000 -105.59825 -102.93920 2.65906 1.95306 -102.87848 510.65900
5350.0000 -105.57781 -102.64659 2.93122 1.94847 -102.93482 488.51567
5355.0000 -105.96208 -103.52620 2.43588 1.93945 -103.04563 497.34593
5360.0000 -105.84312 -102.65704 3.18608 1.95125 -102.90076 505.50458
5365.0000 -105.53031 -103.18398 2.34633 1.95434 -102.86286 497.44399
5370.0000 -105.58092 -102.27941 3.30151 1.96423 -102.74143 487.66757
5375.0000 -105.29294 -102.64701 2.64593 1.99094 -102.41366 531.04980
5380.0000 -105.89638 -102.42566 3.47073 1.98793 -102.45060 498.18092
5385.0000 -105.99596 -102.99096 3.00500 1.94976 -102.91900 504.51203
5390.0000 -104.78661 -102.60212 2.18449 1.97832 -102.56851 534.61252
5395.0000 -105.37393 -102.47292 2.90100 1.98572 -102.47771 516.10311
5400.0000 -106.07517 -102.83345 3.24172 1.98543 -102.48128 522.84936
5405.0000 -105.89754 -102.75576 3.14178 1.97414 -102.61982 518.55372
5410.0000 -106.53231 -104.03625 2.49606 1.93703 -103.07526 483.67023
5415.0000 -106.13978 -103.56979 2.56999 1.89167 -103.63198 456.89644
5420.0000 -105.93773 -103.20124 2.73649 1.90728 -103.44045 440.10890
5425.0000 -105.44547 -102.72749 2.71798 1.94238 -103.00965 477.10454
5430.0000 -105.66914 -102.94841 2.72073 1.95921 -102.80302 484.90835
5435.0000 -105.53532 -102.35122 3.18410 1.97007 -102.66978 498.59211
5440.0000 -105.55946 -102.80718 2.75228 1.97366 -102.62568 502.86619
5445.0000 -105.66915 -102.45566 3.21349 1.97351 -102.62755 497.96182
5450.0000 -105.59767 -102.54747 3.05021 1.97243 -102.64078 517.37683
5455.0000 -105.94035 -104.02311 1.91724 1.91311 -103.36890 461.41874
5460.0000 -105.99840 -103.48246 2.51594 1.89350 -103.60952 450.91422
5465.0000 -105.34212 -102.69919 2.64293 1.91943 -103.29136 477.19320
5470.0000 -104.95861 -101.62307 3.33554 1.97897 -102.56047 519.69555
5475.0000 -104.92824 -102.29258 2.63566 2.00987 -102.18130 540.09598
5480.0000 -105.54390 -102.28284 3.26106 2.00240 -102.27296 540.55646
5485.0000 -105.59749 -103.10387 2.49362 1.93747 -103.06992 499.21802
5490.0000 -105.91690 -102.80775 3.10915 1.96820 -102.69267 521.96692
5495.0000 -105.90746 -103.06613 2.84133 1.96596 -102.72019 514.74188
5500.0000 -105.88630 -102.81190 3.07441 1.95861 -102.81036 505.12633
FREEZING PROCESS: loop number 23 T-loop= 485.00000000000000
main_MD> interactions number 23 at Temperature= 485.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03769 -0.22744 -0.72672
force_rgl> df(natom) 0.65836 1.98089 -0.62031
5505.0000 -105.06012 -102.95341 2.10671 1.96848 -102.68930 499.42988
5510.0000 -105.52195 -102.83102 2.69092 1.94804 -102.94015 487.99957
5515.0000 -105.56780 -102.85139 2.71641 1.94108 -103.02560 492.22451
5520.0000 -105.83873 -102.91489 2.92384 1.96289 -102.75783 505.97439
5525.0000 -105.85546 -103.24142 2.61405 1.96177 -102.77165 537.14003
5530.0000 -106.24465 -103.52180 2.72286 1.93386 -103.11415 483.40500
5535.0000 -106.59539 -103.69736 2.89803 1.88393 -103.72708 466.84121
5540.0000 -106.77842 -103.57793 3.20049 1.88084 -103.76498 464.09367
5545.0000 -106.21214 -103.77050 2.44164 1.87616 -103.82236 458.94118
5550.0000 -105.83393 -103.86243 1.97150 1.87714 -103.81040 454.64085
5555.0000 -105.98386 -103.69563 2.28824 1.88862 -103.66943 455.15324
5560.0000 -106.43570 -103.66526 2.77045 1.88300 -103.73841 436.78461
5565.0000 -106.32984 -103.76949 2.56035 1.89994 -103.53058 476.34100
5570.0000 -106.19622 -103.27590 2.92032 1.87718 -103.80989 453.97788
5575.0000 -105.71207 -102.84571 2.86636 1.94750 -102.94682 515.49248
5580.0000 -106.26001 -103.18927 3.07074 1.94857 -102.93362 515.37656
5585.0000 -105.64158 -103.33692 2.30466 1.90966 -103.41122 458.73092
5590.0000 -105.86305 -102.76516 3.09789 1.93155 -103.14259 462.08236
5595.0000 -106.60763 -103.51035 3.09728 1.93578 -103.09058 481.56926
5600.0000 -105.94795 -103.48256 2.46539 1.89436 -103.59898 433.36116
5605.0000 -105.94979 -103.16213 2.78766 1.95573 -102.84572 505.57493
5610.0000 -105.04086 -102.18809 2.85278 1.94368 -102.99367 471.35423
5615.0000 -105.31487 -102.37395 2.94092 1.96593 -102.72056 480.90502
5620.0000 -105.64901 -103.13673 2.51228 1.96395 -102.74482 478.83497
5625.0000 -105.50387 -102.82540 2.67847 1.94803 -102.94023 480.92188
5630.0000 -105.20249 -102.60862 2.59387 1.95836 -102.81353 484.64537
5635.0000 -105.55201 -102.78165 2.77036 1.96374 -102.74744 484.28005
5640.0000 -105.69250 -102.89386 2.79865 1.97218 -102.64391 501.68841
5645.0000 -106.32150 -103.21532 3.10617 1.90798 -103.43187 452.37550
5650.0000 -106.06434 -103.57880 2.48554 1.90596 -103.45665 468.55345
5655.0000 -105.87507 -103.46256 2.41251 1.92237 -103.25528 482.97025
5660.0000 -106.67321 -104.24538 2.42783 1.85464 -104.08654 413.71888
5665.0000 -106.10967 -103.63522 2.47445 1.87331 -103.85737 434.71812
5670.0000 -105.81513 -103.12956 2.68557 1.90873 -103.42259 457.63003
5675.0000 -105.87061 -103.43006 2.44055 1.92267 -103.25148 472.48245
5680.0000 -106.09477 -103.14234 2.95243 1.92734 -103.19420 470.09264
5685.0000 -106.19571 -103.44505 2.75065 1.92967 -103.16567 496.81887
5690.0000 -105.23208 -103.08354 2.14853 1.90537 -103.46382 449.15859
5695.0000 -105.69049 -102.80264 2.88784 1.95500 -102.85472 482.78440
5700.0000 -105.13020 -102.65557 2.47462 1.94749 -102.94684 497.41262
5705.0000 -105.49695 -102.89669 2.60027 1.97504 -102.60877 498.42408
5710.0000 -105.94817 -102.85205 3.09611 1.93971 -103.04242 471.76289
5715.0000 -105.97810 -103.10957 2.86853 1.96115 -102.77925 517.73570
5720.0000 -106.52813 -103.97315 2.55499 1.90046 -103.52416 458.74034
5725.0000 -106.04359 -103.41501 2.62858 1.87681 -103.81444 443.09471
5730.0000 -105.68811 -102.84547 2.84264 1.93457 -103.10548 497.80530
5735.0000 -106.08097 -103.19518 2.88579 1.94837 -102.93608 528.12539
5740.0000 -105.94517 -103.94978 1.99539 1.88695 -103.68993 472.24263
5745.0000 -105.86037 -103.67540 2.18497 1.88380 -103.72859 463.67012
5750.0000 -106.26355 -103.26767 2.99587 1.92565 -103.21497 506.32346
FREEZING PROCESS: loop number 24 T-loop= 460.00000000000000
main_MD> interactions number 24 at Temperature= 460.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13078 -1.72978 -1.72721
force_rgl> df(natom) 1.60191 -0.72653 -1.11999
5755.0000 -105.94726 -103.83199 2.11527 1.92920 -103.17141 472.56462
5760.0000 -106.31798 -103.75226 2.56572 1.87723 -103.80922 421.16840
5765.0000 -105.60631 -103.24462 2.36169 1.90216 -103.50323 475.00426
5770.0000 -106.16692 -103.23364 2.93328 1.90305 -103.49239 450.46765
5775.0000 -106.11454 -102.98311 3.13143 1.92956 -103.16699 475.36461
5780.0000 -106.32744 -103.40579 2.92165 1.94412 -102.98832 488.61759
5785.0000 -105.85262 -103.51086 2.34176 1.91150 -103.38858 473.34298
5790.0000 -105.66083 -103.33842 2.32241 1.89587 -103.58049 449.30353
5795.0000 -106.35649 -103.23741 3.11908 1.87735 -103.80783 438.84818
5800.0000 -105.65997 -102.77254 2.88743 1.91347 -103.36449 458.18247
5805.0000 -105.48436 -102.74622 2.73814 1.97122 -102.65569 519.23096
5810.0000 -106.40336 -103.19052 3.21284 1.90472 -103.47179 475.88055
5815.0000 -106.28536 -103.64866 2.63670 1.90702 -103.44359 498.90399
5820.0000 -106.26986 -103.53250 2.73735 1.86638 -103.94243 453.91933
5825.0000 -106.46836 -104.05489 2.41347 1.86404 -103.97118 450.91042
5830.0000 -106.93944 -104.55501 2.38443 1.82956 -104.39429 423.07407
5835.0000 -106.48275 -104.27663 2.20612 1.85205 -104.11829 448.36262
5840.0000 -106.72273 -103.95071 2.77202 1.85357 -104.09960 443.35028
5845.0000 -106.46952 -103.76486 2.70466 1.88621 -103.69904 476.22967
5850.0000 -106.82878 -104.51680 2.31199 1.85649 -104.06381 452.95758
5855.0000 -106.39811 -104.21663 2.18148 1.85809 -104.04419 453.65225
5860.0000 -106.91903 -104.23603 2.68300 1.84315 -104.22761 433.00130
5865.0000 -105.88088 -103.68771 2.19317 1.86907 -103.90944 463.39209
5870.0000 -106.63111 -104.29254 2.33857 1.88530 -103.71017 454.42255
5875.0000 -106.21727 -103.64215 2.57512 1.84885 -104.15759 411.15220
5880.0000 -106.28742 -103.93705 2.35037 1.89066 -103.64443 457.03270
5885.0000 -105.70210 -103.25501 2.44708 1.89988 -103.53121 451.71541
5890.0000 -105.92549 -102.83020 3.09529 1.93341 -103.11972 473.18486
5895.0000 -105.54472 -102.87492 2.66980 1.93713 -103.07406 464.72456
5900.0000 -105.73123 -102.62203 3.10921 1.95411 -102.86564 496.25687
5905.0000 -106.42288 -104.19396 2.22892 1.88660 -103.69424 447.44354
5910.0000 -106.70184 -104.45403 2.24781 1.82602 -104.43778 404.74894
5915.0000 -106.62705 -103.92151 2.70554 1.84426 -104.21396 414.58321
5920.0000 -105.90718 -103.91797 1.98920 1.86098 -104.00876 433.76860
5925.0000 -105.99847 -103.36468 2.63379 1.90482 -103.47063 453.83931
5930.0000 -105.95761 -103.46408 2.49353 1.90851 -103.42531 451.44199
5935.0000 -106.36642 -103.81451 2.55191 1.89075 -103.64328 429.05165
5940.0000 -106.20872 -103.90378 2.30494 1.88101 -103.76291 435.77139
5945.0000 -105.95503 -103.58155 2.37348 1.91608 -103.33238 457.78902
5950.0000 -106.35421 -104.40217 1.95203 1.87301 -103.86105 425.39403
5955.0000 -106.55280 -104.74032 1.81248 1.82164 -104.49162 372.44756
5960.0000 -106.43818 -104.29271 2.14547 1.82946 -104.39555 382.43159
5965.0000 -106.51723 -103.90983 2.60740 1.87034 -103.89379 434.39300
5970.0000 -106.54149 -104.04892 2.49257 1.85856 -104.03835 434.05306
5975.0000 -107.17569 -104.39800 2.77768 1.85820 -104.04282 440.40770
5980.0000 -106.64687 -104.80408 1.84279 1.81351 -104.59139 389.64597
5985.0000 -106.73817 -104.39154 2.34664 1.81526 -104.56984 383.22785
5990.0000 -105.48456 -103.34280 2.14176 1.88177 -103.75357 450.19641
5995.0000 -105.73128 -103.41275 2.31853 1.90354 -103.48633 443.37387
6000.0000 -106.09892 -103.47493 2.62399 1.89576 -103.58186 421.65838
FREEZING PROCESS: loop number 25 T-loop= 435.00000000000000
main_MD> interactions number 25 at Temperature= 435.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53059 0.53697 -2.21197
force_rgl> df(natom) -0.84952 0.90918 -2.61442
6005.0000 -106.14693 -103.25445 2.89249 1.89866 -103.54620 437.78327
6010.0000 -105.86353 -103.36285 2.50068 1.88618 -103.69944 436.13226
6015.0000 -106.17874 -104.13615 2.04259 1.87423 -103.84606 413.79378
6020.0000 -106.12987 -103.82229 2.30758 1.86672 -103.93820 424.19256
6025.0000 -106.60257 -104.07289 2.52968 1.86914 -103.90853 427.90929
6030.0000 -106.06331 -103.56520 2.49811 1.88898 -103.66503 455.32361
6035.0000 -106.55081 -103.83743 2.71337 1.88618 -103.69946 459.75843
6040.0000 -105.52659 -103.41204 2.11455 1.88629 -103.69809 441.34958
6045.0000 -106.38000 -103.72789 2.65211 1.89673 -103.56987 453.45310
6050.0000 -106.09990 -103.35947 2.74043 1.86851 -103.91633 420.07925
6055.0000 -105.78439 -103.08939 2.69500 1.92441 -103.23019 477.17272
6060.0000 -106.07197 -103.37418 2.69779 1.92481 -103.22526 478.30438
6065.0000 -105.96067 -103.45800 2.50266 1.90908 -103.41838 475.31015
6070.0000 -105.94881 -103.53421 2.41460 1.90434 -103.47647 448.68229
6075.0000 -106.62708 -104.29904 2.32804 1.86230 -103.99256 430.25614
6080.0000 -106.36791 -104.07176 2.29614 1.85269 -104.11051 427.02125
6085.0000 -106.30164 -103.80097 2.50067 1.87960 -103.78020 437.68471
6090.0000 -106.10945 -103.59573 2.51371 1.86543 -103.95405 424.52886
6095.0000 -106.25347 -103.26496 2.98851 1.88613 -103.69997 443.96208
6100.0000 -106.88003 -104.22813 2.65190 1.90208 -103.50424 455.85519
6105.0000 -106.39056 -104.23112 2.15944 1.85618 -104.06764 396.70303
6110.0000 -105.53023 -103.35845 2.17178 1.88398 -103.72639 422.68771
6115.0000 -105.77052 -102.81293 2.95759 1.93710 -103.07442 485.77694
6120.0000 -106.31791 -103.51368 2.80423 1.92221 -103.25714 472.56434
6125.0000 -105.72781 -103.17728 2.55053 1.90374 -103.48382 451.71090
6130.0000 -106.49991 -103.46149 3.03842 1.89782 -103.55650 439.13738
6135.0000 -106.15550 -103.87282 2.28268 1.91525 -103.34258 465.12822
6140.0000 -106.43038 -103.82075 2.60963 1.86373 -103.97498 400.99854
6145.0000 -106.31646 -103.94343 2.37303 1.85386 -104.09614 404.92524
6150.0000 -106.11818 -103.41474 2.70344 1.90842 -103.42642 443.68489
6155.0000 -105.89307 -103.46155 2.43152 1.91422 -103.35526 458.67602
6160.0000 -106.47512 -103.88424 2.59088 1.89865 -103.54636 438.58775
6165.0000 -105.70946 -103.43574 2.27372 1.87658 -103.81721 430.95409
6170.0000 -105.68997 -102.62113 3.06884 1.93583 -103.09001 472.73653
6175.0000 -105.47896 -102.90116 2.57780 1.96952 -102.67654 515.78091
6180.0000 -105.41936 -102.76587 2.65349 1.95514 -102.85306 481.86582
6185.0000 -106.34732 -103.63457 2.71275 1.92411 -103.23385 469.22278
6190.0000 -106.77276 -104.26587 2.50689 1.87671 -103.81561 436.37294
6195.0000 -106.28104 -104.24802 2.03302 1.85409 -104.09329 414.42971
6200.0000 -106.11515 -103.63111 2.48404 1.87334 -103.85704 430.73082
6205.0000 -105.99686 -103.52929 2.46757 1.89425 -103.60032 449.35057
6210.0000 -106.33397 -103.67019 2.66378 1.90723 -103.44108 471.26114
6215.0000 -105.93504 -103.37593 2.55911 1.91086 -103.39652 460.73797
6220.0000 -105.90221 -103.29340 2.60880 1.92563 -103.21515 469.82430
6225.0000 -106.38602 -103.68470 2.70132 1.92486 -103.22465 473.21815
6230.0000 -105.75190 -102.95830 2.79360 1.91680 -103.32357 451.02636
6235.0000 -105.39456 -103.13688 2.25768 1.95874 -102.80879 473.09722
6240.0000 -106.03940 -103.98853 2.05087 1.90952 -103.41297 426.20698
6245.0000 -106.20441 -103.97409 2.23032 1.84020 -104.26372 374.04998
6250.0000 -106.51409 -103.87992 2.63418 1.86377 -103.97449 400.40719
FREEZING PROCESS: loop number 26 T-loop= 410.00000000000000
main_MD> interactions number 26 at Temperature= 410.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94505 1.45542 0.36502
force_rgl> df(natom) 0.59917 1.89150 0.66865
6255.0000 -106.19663 -103.99172 2.20491 1.85489 -104.08343 388.89287
6260.0000 -105.97310 -103.72187 2.25123 1.85582 -104.07208 394.38890
6265.0000 -106.46112 -103.77438 2.68675 1.90043 -103.52456 448.68728
6270.0000 -105.91605 -103.60512 2.31093 1.89162 -103.63266 442.62346
6275.0000 -106.68607 -104.23928 2.44679 1.86670 -103.93853 433.42866
6280.0000 -105.61948 -103.44629 2.17318 1.84843 -104.16271 415.89395
6285.0000 -106.04502 -103.94346 2.10156 1.87095 -103.88632 425.38494
6290.0000 -106.38758 -104.02704 2.36054 1.86022 -104.01801 399.01712
6295.0000 -106.20064 -104.54071 1.65992 1.84360 -104.22201 398.99083
6300.0000 -106.58260 -104.39538 2.18722 1.79793 -104.78254 357.49815
6305.0000 -106.57068 -104.41824 2.15245 1.84359 -104.22211 406.97534
6310.0000 -107.14887 -104.48253 2.66634 1.81056 -104.62755 385.81398
6315.0000 -107.08051 -104.72414 2.35637 1.82307 -104.47406 389.61997
6320.0000 -106.48771 -104.28331 2.20440 1.83816 -104.28875 389.01166
6325.0000 -106.63125 -104.27540 2.35585 1.84814 -104.16627 428.47737
6330.0000 -106.79510 -104.90123 1.89387 1.81142 -104.61702 381.17058
6335.0000 -106.70655 -104.76051 1.94603 1.78815 -104.90265 363.13478
6340.0000 -106.87260 -104.69006 2.18253 1.78370 -104.95726 371.01833
6345.0000 -106.85509 -104.36802 2.48707 1.80465 -104.70005 385.27141
6350.0000 -106.76039 -104.25280 2.50759 1.82648 -104.43219 403.49568
6355.0000 -106.81791 -104.24144 2.57646 1.83361 -104.34464 408.29147
6360.0000 -107.29031 -104.47610 2.81421 1.81381 -104.58762 422.56129
6365.0000 -106.60357 -104.15305 2.45052 1.86604 -103.94655 476.34226
6370.0000 -106.69850 -104.04253 2.65597 1.86502 -103.95911 465.45330
6375.0000 -106.85221 -104.40109 2.45112 1.83943 -104.27317 437.65051
6380.0000 -106.96031 -104.71671 2.24360 1.82520 -104.44784 415.93540
6385.0000 -107.53041 -105.28572 2.24469 1.76957 -105.13064 368.15360
6390.0000 -107.29718 -104.70383 2.59335 1.81527 -104.56980 417.38976
6395.0000 -107.00015 -104.88651 2.11364 1.82277 -104.47765 404.54016
6400.0000 -107.04896 -105.05617 1.99279 1.77960 -105.00757 373.12688
6405.0000 -107.05494 -104.55744 2.49749 1.81060 -104.62709 405.07625
6410.0000 -107.03126 -104.43611 2.59515 1.84331 -104.22561 433.96516
6415.0000 -106.90108 -104.62345 2.27763 1.83085 -104.37848 435.48418
6420.0000 -107.02109 -104.78574 2.23535 1.80566 -104.68773 404.05510
6425.0000 -106.98850 -104.09588 2.89262 1.80047 -104.75137 399.92927
6430.0000 -107.19888 -104.86623 2.33265 1.83674 -104.30627 430.82662
6435.0000 -106.46357 -104.07912 2.38446 1.82603 -104.43767 431.77025
6440.0000 -106.91977 -104.28508 2.63469 1.83531 -104.32378 437.12636
6445.0000 -107.20488 -104.84135 2.36353 1.81808 -104.53520 410.68619
6450.0000 -106.61198 -104.76446 1.84752 1.79706 -104.79324 400.15831
6455.0000 -106.62153 -104.49103 2.13050 1.82935 -104.39690 436.13127
6460.0000 -107.42738 -105.04679 2.38059 1.78820 -104.90204 392.65603
6465.0000 -107.03270 -105.01857 2.01413 1.76818 -105.14767 376.84600
6470.0000 -107.38359 -105.09086 2.29273 1.76976 -105.12833 373.67041
6475.0000 -106.48711 -104.06779 2.41933 1.80079 -104.74747 393.21162
6480.0000 -106.17730 -103.50936 2.66794 1.83619 -104.31292 435.55901
6485.0000 -107.00584 -104.67714 2.32870 1.86723 -103.93201 470.46133
6490.0000 -106.61671 -104.27151 2.34520 1.83566 -104.31949 432.52365
6495.0000 -107.01072 -104.59530 2.41541 1.82250 -104.48099 422.16179
6500.0000 -106.24307 -103.99201 2.25106 1.84612 -104.19113 440.98763
FREEZING PROCESS: loop number 27 T-loop= 385.00000000000000
main_MD> interactions number 27 at Temperature= 385.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16336 -0.49938 0.80374
force_rgl> df(natom) -1.46481 -0.25784 2.20555
6505.0000 -107.21278 -104.70391 2.50887 1.83265 -104.35641 420.09976
6510.0000 -107.11254 -105.39358 1.71896 1.76718 -105.16002 371.13284
6515.0000 -107.38737 -105.38323 2.00414 1.75424 -105.31880 356.94618
6520.0000 -107.63549 -105.89681 1.73867 1.74800 -105.39535 355.31248
6525.0000 -107.24398 -104.95708 2.28690 1.74597 -105.42031 351.11097
6530.0000 -106.71452 -104.36065 2.35388 1.82091 -104.50047 415.34093
6535.0000 -106.41788 -104.22312 2.19476 1.83672 -104.30645 427.95206
6540.0000 -106.30032 -104.09424 2.20609 1.83007 -104.38808 401.39525
6545.0000 -106.86916 -104.65155 2.21761 1.85767 -104.04935 454.10110
6550.0000 -107.85751 -105.74292 2.11459 1.76508 -105.18576 366.84539
6555.0000 -107.34964 -105.14327 2.20637 1.75817 -105.27059 358.22650
6560.0000 -107.12577 -105.26114 1.86463 1.78029 -104.99904 389.42256
6565.0000 -106.94091 -104.71633 2.22457 1.76053 -105.24167 357.55189
6570.0000 -107.11811 -104.70509 2.41302 1.81266 -104.60177 412.22787
6575.0000 -107.04040 -104.98009 2.06031 1.78373 -104.95688 355.49150
6580.0000 -106.63153 -104.15579 2.47574 1.81024 -104.63152 412.15843
6585.0000 -106.35924 -104.09519 2.26405 1.82298 -104.47513 418.84713
6590.0000 -106.47727 -104.34555 2.13172 1.84395 -104.21772 439.57779
6595.0000 -107.11724 -105.20353 1.91371 1.77071 -105.11664 369.54208
6600.0000 -106.85993 -104.99867 1.86126 1.76030 -105.24440 362.53518
6605.0000 -107.10076 -105.51736 1.58340 1.76767 -105.15403 372.71239
6610.0000 -107.20232 -105.07642 2.12590 1.76394 -105.19981 369.58103
6615.0000 -107.11627 -104.57004 2.54624 1.77725 -105.03637 361.76512
6620.0000 -107.32577 -105.24407 2.08170 1.78804 -104.90390 388.32368
6625.0000 -107.27690 -105.06764 2.20926 1.77695 -105.04012 378.14822
6630.0000 -107.40440 -105.53216 1.87224 1.76688 -105.16363 354.18051
6635.0000 -107.16901 -105.43370 1.73531 1.73339 -105.57478 336.36763
6640.0000 -106.95070 -104.82892 2.12179 1.76490 -105.18791 366.98478
6645.0000 -106.80259 -104.67018 2.13241 1.82084 -104.50134 428.51313
6650.0000 -106.98281 -104.53391 2.44890 1.81463 -104.57759 415.23317
6655.0000 -107.28458 -105.03925 2.24533 1.80262 -104.72505 402.29517
6660.0000 -106.99655 -105.09591 1.90064 1.76930 -105.13401 367.55453
6665.0000 -107.56864 -105.21914 2.34950 1.73791 -105.51919 336.59643
6670.0000 -106.98917 -105.04202 1.94716 1.75502 -105.30926 361.33907
6675.0000 -107.00148 -105.22534 1.77614 1.78997 -104.88027 389.43712
6680.0000 -107.07525 -104.76073 2.31452 1.77708 -105.03851 374.78573
6685.0000 -107.25282 -104.78056 2.47225 1.79936 -104.76502 396.77821
6690.0000 -106.20423 -104.08251 2.12172 1.85198 -104.11912 446.95122
6695.0000 -106.79174 -104.64036 2.15138 1.83938 -104.27382 432.26255
6700.0000 -107.26971 -105.01626 2.25345 1.79658 -104.79917 379.70571
6705.0000 -107.21293 -104.83268 2.38025 1.77815 -105.02536 380.89340
6710.0000 -106.89478 -104.81399 2.08079 1.77099 -105.11319 372.29915
6715.0000 -106.50191 -104.65386 1.84804 1.79442 -104.82571 356.46782
6720.0000 -106.05325 -104.36374 1.68952 1.81632 -104.55685 378.10741
6725.0000 -107.14806 -105.35791 1.79015 1.80140 -104.73998 356.98163
6730.0000 -106.97350 -105.00275 1.97075 1.76437 -105.19448 337.32958
6735.0000 -107.53068 -105.42847 2.10220 1.75783 -105.27478 361.97642
6740.0000 -107.03339 -104.85340 2.17999 1.77157 -105.10616 363.13128
6745.0000 -106.99076 -104.43150 2.55925 1.80181 -104.73495 396.60175
6750.0000 -107.06849 -104.62817 2.44032 1.83243 -104.35907 433.61795
FREEZING PROCESS: loop number 28 T-loop= 360.00000000000000
main_MD> interactions number 28 at Temperature= 360.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66158 1.38609 -0.10078
force_rgl> df(natom) 0.65707 -0.38377 1.97117
6755.0000 -107.10481 -105.03197 2.07285 1.78988 -104.88142 393.26206
6760.0000 -107.49046 -105.60686 1.88360 1.76661 -105.16694 370.83649
6765.0000 -107.63669 -105.90632 1.73036 1.70797 -105.88668 311.78232
6770.0000 -107.12737 -105.16543 1.96194 1.75427 -105.31841 360.45049
6775.0000 -107.05897 -104.96165 2.09732 1.78563 -104.93353 392.77521
6780.0000 -106.72538 -104.57190 2.15348 1.78432 -104.94961 380.64798
6785.0000 -107.16459 -105.08576 2.07883 1.78500 -104.94125 381.19281
6790.0000 -106.90957 -104.65429 2.25529 1.78360 -104.95844 387.63450
6795.0000 -106.84645 -103.85955 2.98690 1.83019 -104.38661 435.85679
6800.0000 -106.78675 -104.34718 2.43958 1.85866 -104.03721 458.84088
6805.0000 -107.50438 -105.47768 2.02670 1.80298 -104.72054 399.78366
6810.0000 -107.15665 -105.21640 1.94025 1.74181 -105.47136 344.52440
6815.0000 -107.19637 -104.66607 2.53030 1.77773 -105.03049 380.59924
6820.0000 -106.95375 -104.82047 2.13328 1.78294 -104.96660 382.62934
6825.0000 -107.27318 -105.24217 2.03102 1.76896 -105.13819 371.89565
6830.0000 -106.83094 -104.65644 2.17451 1.77004 -105.12484 371.74066
6835.0000 -107.27901 -105.05930 2.21971 1.79767 -104.78575 393.68339
6840.0000 -107.00976 -105.21016 1.79960 1.79156 -104.86072 385.55764
6845.0000 -107.00713 -105.01754 1.98959 1.77388 -105.07773 355.73436
6850.0000 -107.41823 -105.36134 2.05689 1.76421 -105.19645 361.68262
6855.0000 -106.76842 -104.71380 2.05463 1.74362 -105.44916 346.47330
6860.0000 -107.16271 -105.21155 1.95116 1.79298 -104.84332 396.76773
6865.0000 -107.38444 -104.87590 2.50854 1.79463 -104.82306 392.22394
6870.0000 -107.20462 -104.93848 2.26614 1.77553 -105.05751 376.17302
6875.0000 -107.22034 -105.36135 1.85898 1.76021 -105.24549 361.61186
6880.0000 -107.52903 -105.46662 2.06241 1.74185 -105.47094 345.77381
6885.0000 -107.15450 -104.73561 2.41888 1.76708 -105.16116 372.93347
6890.0000 -107.22764 -105.36806 1.85958 1.76794 -105.15060 369.81157
6895.0000 -107.56797 -105.63176 1.93621 1.76176 -105.22646 365.05189
6900.0000 -107.11776 -105.58317 1.53459 1.72403 -105.68961 327.67043
6905.0000 -107.45725 -105.59667 1.86058 1.76279 -105.21385 362.28271
6910.0000 -107.50407 -105.16927 2.33480 1.74989 -105.37217 351.53513
6915.0000 -106.95543 -105.04797 1.90747 1.76787 -105.15148 369.74343
6920.0000 -107.46474 -105.14943 2.31531 1.76573 -105.17778 371.12286
6925.0000 -107.38335 -105.05389 2.32947 1.79053 -104.87340 397.18049
6930.0000 -107.60884 -105.71907 1.88977 1.77382 -105.07849 373.66460
6935.0000 -107.37897 -105.64389 1.73508 1.71881 -105.75366 323.65954
6940.0000 -107.50433 -105.84919 1.65514 1.72746 -105.64754 332.88581
6945.0000 -107.53755 -105.57184 1.96571 1.71780 -105.76603 321.80772
6950.0000 -107.68803 -105.22743 2.46060 1.74431 -105.44074 344.62637
6955.0000 -107.19282 -104.88072 2.31210 1.76562 -105.17908 362.17534
6960.0000 -106.60159 -104.69736 1.90423 1.81838 -104.53154 421.91732
6965.0000 -107.59065 -105.32586 2.26480 1.77889 -105.01625 378.28392
6970.0000 -107.06250 -104.80899 2.25351 1.77640 -105.04688 370.99160
6975.0000 -107.09354 -105.05852 2.03502 1.78752 -104.91039 384.41796
6980.0000 -107.40754 -105.04727 2.36027 1.77525 -105.06099 367.51874
6985.0000 -106.62370 -104.70498 1.91872 1.79613 -104.80472 395.59649
6990.0000 -107.02269 -104.77385 2.24885 1.78660 -104.92161 385.50196
6995.0000 -106.91586 -105.16657 1.74929 1.79243 -104.85003 391.70550
7000.0000 -106.94304 -104.62221 2.32082 1.79519 -104.81626 365.33724
FREEZING PROCESS: loop number 29 T-loop= 335.00000000000000
main_MD> interactions number 29 at Temperature= 335.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71121 1.58421 -2.05029
force_rgl> df(natom) -1.17427 2.45656 0.58225
7005.0000 -107.34988 -105.40407 1.94582 1.79115 -104.86577 387.51222
7010.0000 -107.76575 -105.71038 2.05537 1.72601 -105.66527 329.31626
7015.0000 -107.34756 -105.29681 2.05075 1.72193 -105.71538 328.77467
7020.0000 -107.06175 -105.22175 1.84000 1.75322 -105.33128 359.99218
7025.0000 -107.37319 -105.65014 1.72305 1.73798 -105.51837 336.16916
7030.0000 -107.39406 -105.61753 1.77653 1.73034 -105.61210 327.08717
7035.0000 -107.34273 -105.48101 1.86172 1.74105 -105.48068 350.46342
7040.0000 -106.93231 -104.96489 1.96742 1.75529 -105.30590 357.50849
7045.0000 -107.48822 -105.92377 1.56445 1.73213 -105.59018 325.35139
7050.0000 -107.70250 -105.68189 2.02061 1.72980 -105.61880 332.51440
7055.0000 -107.64920 -105.68390 1.96530 1.70780 -105.88877 308.44351
7060.0000 -107.26944 -105.08127 2.18817 1.75988 -105.24960 360.52984
7065.0000 -107.10628 -105.20419 1.90209 1.74789 -105.39678 350.56774
7070.0000 -107.46631 -105.50271 1.96360 1.75471 -105.31302 363.65368
7075.0000 -108.03090 -106.11125 1.91965 1.71007 -105.86093 311.11712
7080.0000 -107.34962 -105.52758 1.82204 1.71324 -105.82207 317.84490
7085.0000 -106.92533 -105.27251 1.65282 1.74614 -105.41818 345.08337
7090.0000 -107.29594 -105.35907 1.93687 1.76067 -105.23988 360.68303
7095.0000 -106.70034 -104.60188 2.09846 1.76508 -105.18582 363.58702
7100.0000 -107.39986 -105.38042 2.01944 1.77155 -105.10631 371.97711
7105.0000 -107.88842 -105.90410 1.98432 1.71669 -105.77973 321.14018
7110.0000 -107.56546 -105.78365 1.78182 1.71338 -105.82034 310.66544
7115.0000 -107.76945 -105.82142 1.94803 1.70969 -105.86566 309.65154
7120.0000 -107.36020 -105.87900 1.48121 1.70501 -105.92309 304.01900
7125.0000 -108.07670 -106.21631 1.86039 1.71145 -105.84403 311.56914
7130.0000 -107.89592 -106.38854 1.50737 1.68437 -106.17634 287.12997
7135.0000 -107.50153 -105.83108 1.67045 1.68464 -106.17302 281.84058
7140.0000 -107.66614 -106.21521 1.45093 1.71700 -105.77589 322.15281
7145.0000 -107.27723 -105.82622 1.45101 1.71340 -105.82011 314.09238
7150.0000 -107.48772 -105.66590 1.82182 1.73429 -105.56362 334.88345
7155.0000 -107.73104 -105.95643 1.77461 1.73312 -105.57806 341.44264
7160.0000 -107.52320 -105.63894 1.88426 1.69961 -105.98928 305.80857
7165.0000 -107.69142 -105.22506 2.46637 1.73932 -105.50188 346.45314
7170.0000 -107.28490 -105.37845 1.90644 1.76543 -105.18146 366.16304
7175.0000 -107.39677 -105.85696 1.53981 1.71903 -105.75095 320.81963
7180.0000 -107.90623 -106.00189 1.90433 1.69451 -106.05190 293.59070
7185.0000 -107.87632 -106.10675 1.76957 1.70729 -105.89501 307.77576
7190.0000 -107.83667 -106.19564 1.64103 1.70147 -105.96644 305.61332
7195.0000 -107.62513 -106.00810 1.61703 1.66421 -106.42376 264.53437
7200.0000 -107.27616 -105.73397 1.54219 1.72332 -105.69830 322.62113
7205.0000 -107.91341 -105.81237 2.10104 1.72840 -105.63600 330.43835
7210.0000 -107.40272 -105.37912 2.02359 1.74339 -105.45199 350.95345
7215.0000 -107.59224 -105.59084 2.00140 1.72694 -105.65393 331.65001
7220.0000 -107.58179 -106.01740 1.56438 1.73542 -105.54980 335.68217
7225.0000 -107.51694 -105.69596 1.82098 1.71940 -105.74638 320.50230
7230.0000 -107.55244 -105.82815 1.72429 1.71906 -105.75066 319.29515
7235.0000 -107.31316 -105.44105 1.87211 1.75015 -105.36897 355.12668
7240.0000 -107.31710 -105.26360 2.05350 1.75536 -105.30501 354.09239
7245.0000 -107.33495 -105.39345 1.94150 1.75800 -105.27269 359.49282
7250.0000 -107.60655 -105.69155 1.91500 1.72689 -105.65453 327.48136
FREEZING PROCESS: loop number 30 T-loop= 310.00000000000000
main_MD> interactions number 30 at Temperature= 310.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30554 0.97779 -0.00899
force_rgl> df(natom) -2.52447 -0.48899 -2.08178
7255.0000 -107.04157 -105.27057 1.77099 1.74974 -105.37405 340.10024
7260.0000 -107.24364 -105.27741 1.96623 1.76255 -105.21676 371.70722
7265.0000 -107.66982 -105.93969 1.73014 1.71312 -105.82350 310.89300
7270.0000 -107.57869 -106.01100 1.56769 1.68916 -106.11754 286.99772
7275.0000 -107.52425 -105.92116 1.60309 1.69078 -106.09767 290.87206
7280.0000 -107.98979 -106.45741 1.53238 1.68413 -106.17935 289.83622
7285.0000 -107.72560 -105.93981 1.78579 1.68077 -106.22058 279.79414
7290.0000 -107.57445 -105.77067 1.80378 1.70610 -105.90962 305.96717
7295.0000 -107.61930 -105.89043 1.72887 1.71008 -105.86084 318.69095
7300.0000 -107.76258 -105.74043 2.02215 1.71420 -105.81031 318.33920
7305.0000 -107.50832 -105.69998 1.80835 1.71927 -105.74797 321.14992
7310.0000 -107.25344 -105.19445 2.05899 1.75861 -105.26516 363.70514
7315.0000 -107.70144 -105.83815 1.86329 1.73255 -105.58504 336.35219
7320.0000 -107.61975 -105.85179 1.76796 1.71682 -105.77805 314.54474
7325.0000 -107.58402 -106.05306 1.53096 1.71448 -105.80683 309.23580
7330.0000 -107.41128 -105.89073 1.52055 1.68187 -106.20706 286.91280
7335.0000 -107.90077 -106.18185 1.71891 1.69573 -106.03695 295.24453
7340.0000 -107.88239 -106.15729 1.72509 1.69293 -106.07135 292.81788
7345.0000 -107.61802 -105.85120 1.76682 1.68730 -106.14043 287.83813
7350.0000 -107.82713 -106.18022 1.64691 1.68859 -106.12465 287.82283
7355.0000 -107.49063 -105.84138 1.64925 1.71816 -105.76164 320.81408
7360.0000 -107.77085 -105.90488 1.86597 1.71243 -105.83197 314.40048
7365.0000 -107.68529 -105.73110 1.95420 1.71151 -105.84327 313.41297
7370.0000 -107.78052 -106.02859 1.75193 1.69307 -106.06963 297.46137
7375.0000 -107.93575 -106.00642 1.92933 1.69103 -106.09470 295.02780
7380.0000 -108.03760 -106.42223 1.61537 1.69814 -106.00735 293.15681
7385.0000 -107.92200 -106.16636 1.75565 1.68039 -106.22525 278.37135
7390.0000 -107.79551 -106.19994 1.59557 1.67285 -106.31774 274.05602
7395.0000 -107.65134 -105.99823 1.65312 1.68562 -106.16100 286.23828
7400.0000 -107.38478 -105.78525 1.59953 1.70470 -105.92683 306.59059
7405.0000 -107.41988 -105.70747 1.71241 1.71956 -105.74445 324.00442
7410.0000 -107.54377 -105.79016 1.75361 1.72430 -105.68631 320.38608
7415.0000 -107.79014 -105.85316 1.93697 1.71037 -105.85729 309.73280
7420.0000 -107.71802 -105.90102 1.81701 1.70865 -105.87832 312.89135
7425.0000 -107.11767 -105.43569 1.68198 1.72717 -105.65107 325.68238
7430.0000 -107.45905 -105.37999 2.07906 1.74698 -105.40793 349.08447
7435.0000 -107.60296 -105.58922 2.01374 1.73508 -105.55393 334.39297
7440.0000 -107.77716 -105.92095 1.85620 1.70624 -105.90793 307.91346
7445.0000 -107.56935 -105.57217 1.99718 1.72058 -105.73197 320.56128
7450.0000 -107.47016 -105.16298 2.30719 1.74854 -105.38877 352.63035
7455.0000 -107.65755 -105.52974 2.12781 1.76328 -105.20782 360.23772
7460.0000 -106.97739 -105.48606 1.49133 1.71578 -105.79082 318.11481
7465.0000 -107.63479 -105.84126 1.79352 1.70774 -105.88960 313.21139
7470.0000 -107.26922 -105.35725 1.91197 1.73352 -105.57310 330.20584
7475.0000 -107.64343 -105.74082 1.90261 1.72351 -105.69596 328.11985
7480.0000 -107.58431 -106.01116 1.57315 1.70019 -105.98223 302.49010
7485.0000 -107.38728 -105.93520 1.45207 1.69774 -106.01225 300.25054
7490.0000 -107.64909 -105.70809 1.94101 1.71382 -105.81490 315.65291
7495.0000 -107.51573 -106.13166 1.38407 1.71344 -105.81963 313.61282
7500.0000 -107.25882 -105.37342 1.88540 1.71861 -105.75607 315.15198
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 4.8468389 [s].
main_MD> Deallocating global variables
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