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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_81/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_81.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 = 81 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 81 8100
main_MD> Size of nv and nvoiz: 81 8100
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 = 81
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> 0.12919055123342763 5.5822583106365765E-002 -7.1867605210719179E-002 initial drift of cluster / NP1 for coalescence
init> 0.32371774593055536 0.35459193725350047 0.29839345069055018 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5608932621088362E-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) -4.37999 3.66493 2.26825
force_rgl> df(natom) 0.63209 3.05499 -0.32519
preparo> THERMALIZATION PROCESS AT 1098.8113886643659
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -180.61352575767566 12.008015454486220 -192.62154121216187 6.5902380484943017E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1075.0000000000000
main_MD> interactions number 1 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24732 -0.18051 -1.16827
force_rgl> df(natom) -16.04325 -3.25715 -5.31417
5.0000 -191.76636 -179.91440 11.85195 3.13769 -180.21003 1142.10140
10.0000 -193.76800 -182.03118 11.73682 3.10203 -180.87768 1160.03628
15.0000 -192.52992 -180.98825 11.54168 3.03095 -182.20828 1086.52531
20.0000 -194.18834 -182.45958 11.72876 3.04020 -182.03508 1079.35068
25.0000 -195.85948 -184.56897 11.29050 2.93496 -184.00539 1036.19162
30.0000 -194.20571 -183.75063 10.45508 2.94657 -183.78804 1043.14282
35.0000 -193.87196 -183.15468 10.71728 2.95074 -183.70995 1016.65226
40.0000 -195.66020 -183.23924 12.42096 2.96878 -183.37211 1017.94882
45.0000 -195.42639 -183.59413 11.83226 2.98696 -183.03189 1058.88912
50.0000 -192.20604 -180.58422 11.62182 3.03979 -182.04288 1095.13118
55.0000 -192.51737 -180.48842 12.02895 3.12446 -180.45784 1112.89640
60.0000 -191.22360 -177.64376 13.57983 3.19639 -179.11117 1173.01444
65.0000 -193.37224 -181.36197 12.01028 3.14112 -180.14581 1141.93562
70.0000 -193.37232 -182.21582 11.15650 3.06337 -181.60139 1094.97252
75.0000 -195.13943 -182.52019 12.61924 3.01289 -182.54644 1035.70721
80.0000 -193.53641 -182.75090 10.78552 3.01558 -182.49598 1053.26804
85.0000 -195.50255 -185.51825 9.98430 2.98110 -183.14160 1061.46975
90.0000 -192.94112 -181.17816 11.76296 2.96995 -183.35033 1037.15307
95.0000 -194.05263 -182.11609 11.93654 3.05095 -181.83393 1105.66860
100.0000 -192.43071 -180.52624 11.90447 3.07454 -181.39235 1154.63717
105.0000 -194.15734 -182.11965 12.03769 3.07760 -181.33503 1101.00444
110.0000 -194.84591 -182.66853 12.17738 3.02538 -182.31257 1106.81965
115.0000 -195.21595 -183.20822 12.00773 2.99037 -182.96794 1071.70365
120.0000 -195.80076 -184.16649 11.63427 2.98448 -183.07830 1054.02900
125.0000 -193.39948 -182.16812 11.23136 3.00289 -182.73357 1087.09418
130.0000 -193.20734 -182.04086 11.16648 3.06039 -181.65728 1081.29798
135.0000 -192.72369 -181.57710 11.14659 3.03441 -182.14363 1080.55293
140.0000 -194.54956 -183.70597 10.84360 3.03935 -182.05112 1081.14829
145.0000 -195.07413 -184.21950 10.85462 2.93372 -184.02851 1028.75927
150.0000 -193.39911 -182.46642 10.93269 2.98484 -183.07146 1066.11666
155.0000 -194.49260 -182.63961 11.85299 3.07646 -181.35640 1078.05908
160.0000 -191.93376 -181.46989 10.46387 3.01227 -182.55795 1055.80043
165.0000 -190.03467 -180.71161 9.32306 3.11875 -180.56459 1086.02094
170.0000 -193.66958 -183.81315 9.85643 3.03927 -182.05260 1080.72646
175.0000 -192.08670 -181.62241 10.46429 3.04135 -182.01356 1078.93220
180.0000 -190.67035 -179.31238 11.35797 3.04040 -182.03136 1105.72858
185.0000 -193.93141 -181.11282 12.81860 3.17291 -179.55074 1190.25879
190.0000 -192.27271 -180.98207 11.29063 3.12315 -180.48225 1127.86209
195.0000 -196.09606 -184.96928 11.12678 2.97713 -183.21585 1072.73013
200.0000 -192.62534 -181.79138 10.83396 2.95027 -183.71871 1009.04457
205.0000 -193.93394 -182.71095 11.22299 3.05663 -181.72749 1074.02500
210.0000 -191.26398 -181.34692 9.91707 3.08176 -181.25711 1126.76581
215.0000 -193.49207 -185.33174 8.16033 3.01206 -182.56201 1018.67112
220.0000 -193.67283 -184.36244 9.31039 2.91268 -184.42252 959.28905
225.0000 -193.56492 -181.93911 11.62581 2.96422 -183.45761 1016.54153
230.0000 -192.35745 -182.03632 10.32112 3.03914 -182.05493 1070.78571
235.0000 -194.39432 -183.81488 10.57944 3.02907 -182.24359 1090.81782
240.0000 -193.42292 -181.88147 11.54145 2.97472 -183.26103 1033.38527
245.0000 -191.92594 -181.59627 10.32966 3.04294 -181.98382 1073.56545
250.0000 -195.83756 -185.26302 10.57454 2.96543 -183.43499 1051.48224
FREEZING PROCESS: loop number 2 T-loop= 1050.0000000000000
main_MD> interactions number 2 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87935 -3.43956 -2.78015
force_rgl> df(natom) 2.66014 1.57240 -2.55969
255.0000 -194.24343 -183.65999 10.58344 2.89711 -184.71398 1009.03691
260.0000 -193.87284 -181.80532 12.06752 3.00339 -182.72433 1064.59973
265.0000 -194.42890 -181.78525 12.64365 3.00933 -182.61313 1048.81987
270.0000 -194.42810 -182.77492 11.65318 3.04823 -181.88491 1105.87189
275.0000 -194.23448 -181.93591 12.29857 3.00332 -182.72563 1073.76222
280.0000 -194.67444 -183.92923 10.74521 3.02219 -182.37238 1048.65164
285.0000 -193.18098 -183.80658 9.37440 2.95170 -183.69194 1022.86689
290.0000 -194.34770 -183.45754 10.89017 2.96069 -183.52359 1045.94915
295.0000 -193.97291 -184.70172 9.27119 2.89518 -184.75009 981.06554
300.0000 -192.12783 -180.93031 11.19752 2.98163 -183.13157 1039.75033
305.0000 -191.59482 -178.37926 13.21556 3.25135 -178.08227 1213.04431
310.0000 -194.19642 -183.02322 11.17320 3.08010 -181.28828 1102.36801
315.0000 -194.47649 -185.67618 8.80031 2.92852 -184.12595 1032.27177
320.0000 -194.17569 -182.58690 11.58879 2.95239 -183.67896 1023.27792
325.0000 -196.01467 -184.82940 11.18527 2.90443 -184.57694 1033.22314
330.0000 -192.48106 -181.48914 10.99191 2.98050 -183.15286 1030.99251
335.0000 -194.02720 -183.28080 10.74640 3.00888 -182.62153 1050.86176
340.0000 -191.98931 -181.08822 10.90109 3.04226 -181.99652 1046.28964
345.0000 -193.40350 -182.92671 10.47679 3.04377 -181.96829 1087.21766
350.0000 -194.60930 -184.54869 10.06061 3.00028 -182.78246 1053.18350
355.0000 -194.13382 -182.94444 11.18938 2.96353 -183.47055 1018.39571
360.0000 -194.06650 -183.89479 10.17172 2.89821 -184.69341 983.71188
365.0000 -192.48284 -181.86480 10.61804 3.04889 -181.87256 1059.55532
370.0000 -191.80574 -182.10460 9.70114 3.09581 -180.99402 1089.97916
375.0000 -192.54997 -181.87163 10.67834 3.08203 -181.25217 1110.84152
380.0000 -193.61207 -182.81057 10.80149 3.03256 -182.17818 1083.93636
385.0000 -193.23678 -181.72376 11.51302 3.01357 -182.53377 1044.00756
390.0000 -193.44264 -182.61137 10.83128 3.04092 -182.02170 1091.13082
395.0000 -192.23039 -182.45194 9.77844 2.98682 -183.03452 1052.52151
400.0000 -195.45536 -183.37105 12.08432 2.98489 -183.07069 1044.36102
405.0000 -193.95091 -184.59392 9.35699 2.96489 -183.44499 1030.97589
410.0000 -195.61733 -187.12410 8.49323 2.86178 -185.37532 957.13440
415.0000 -196.47107 -184.70636 11.76472 2.80831 -186.37638 958.17991
420.0000 -194.22406 -183.22625 10.99781 2.95844 -183.56569 1032.63693
425.0000 -195.42124 -183.37945 12.04179 3.04546 -181.93661 1100.77993
430.0000 -192.44355 -180.00583 12.43772 3.04120 -182.01645 1117.91192
435.0000 -193.50792 -183.32000 10.18792 3.01281 -182.54794 1045.07341
440.0000 -192.52633 -182.04111 10.48522 3.01508 -182.50551 1066.88574
445.0000 -192.59341 -181.84802 10.74539 3.04259 -181.99034 1095.88652
450.0000 -194.20227 -183.80435 10.39792 2.99885 -182.80935 1067.19409
455.0000 -195.87003 -185.18383 10.68620 2.92805 -184.13476 1036.54476
460.0000 -195.38022 -186.06711 9.31310 2.87315 -185.16250 986.29226
465.0000 -194.86381 -183.66895 11.19486 2.90747 -184.51998 1012.81841
470.0000 -195.55330 -184.42972 11.12358 2.95459 -183.63779 1038.87456
475.0000 -195.53570 -185.71988 9.81582 2.87952 -185.04317 967.16989
480.0000 -195.22090 -184.95498 10.26592 2.82872 -185.99427 931.72654
485.0000 -195.63626 -184.31588 11.32038 2.93911 -183.92761 1017.55229
490.0000 -193.94866 -183.29486 10.65380 2.91853 -184.31285 982.61557
495.0000 -193.02593 -182.94589 10.08004 2.96634 -183.41779 1027.09337
500.0000 -193.30587 -182.12153 11.18434 3.00539 -182.68677 1075.03472
FREEZING PROCESS: loop number 3 T-loop= 1025.0000000000000
main_MD> interactions number 3 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44957 1.53379 1.26191
force_rgl> df(natom) -0.31122 -2.07388 1.65270
505.0000 -194.47267 -183.17467 11.29801 3.01303 -182.54376 1072.69243
510.0000 -195.36143 -184.23950 11.12193 2.92690 -184.15618 1021.33755
515.0000 -194.72167 -185.18825 9.53342 2.92674 -184.15931 1017.61891
520.0000 -197.02955 -185.45869 11.57086 2.89674 -184.72092 987.72186
525.0000 -193.58078 -182.41373 11.16705 2.93957 -183.91904 1020.91416
530.0000 -193.72185 -183.72668 9.99517 2.97756 -183.20785 1029.30439
535.0000 -192.22695 -181.29945 10.92750 2.97069 -183.33652 1034.61084
540.0000 -194.92008 -184.98572 9.93436 2.92279 -184.23318 1012.22631
545.0000 -193.24425 -181.13140 12.11284 2.95923 -183.55090 1046.57500
550.0000 -193.94489 -181.55004 12.39486 3.07165 -181.44638 1127.22680
555.0000 -191.81060 -179.83756 11.97304 3.11151 -180.70022 1136.84294
560.0000 -190.20476 -179.12776 11.07700 3.16326 -179.73148 1157.02719
565.0000 -191.72575 -181.20825 10.51751 3.06354 -181.59826 1100.42224
570.0000 -191.57707 -180.97669 10.60038 3.10683 -180.78777 1065.75840
575.0000 -192.46918 -181.29190 11.17728 3.08115 -181.26861 1104.20575
580.0000 -192.84658 -182.34850 10.49807 3.08687 -181.16153 1144.46307
585.0000 -196.09142 -184.63779 11.45363 3.04666 -181.91419 1102.82419
590.0000 -193.20049 -184.42729 8.77320 2.90164 -184.62912 1019.87752
595.0000 -195.55215 -184.41512 11.13703 2.90875 -184.49600 1017.98500
600.0000 -193.21087 -183.09021 10.12066 2.95451 -183.63939 1043.56903
605.0000 -195.54249 -185.10834 10.43416 2.96531 -183.43710 1050.93408
610.0000 -195.20077 -183.01841 12.18236 2.88215 -184.99400 985.15780
615.0000 -193.72118 -182.14135 11.57983 3.00470 -182.69966 1046.68434
620.0000 -194.08432 -184.63267 9.45165 3.04840 -181.88165 1075.11295
625.0000 -193.75941 -183.47445 10.28496 2.92866 -184.12319 1029.92253
630.0000 -195.95028 -183.87088 12.07940 2.91809 -184.32124 992.25687
635.0000 -193.88441 -182.88694 10.99747 3.00229 -182.74484 1069.01375
640.0000 -192.40185 -181.68243 10.71943 2.97455 -183.26424 1034.28526
645.0000 -194.90888 -184.75676 10.15212 2.95259 -183.67537 1020.23577
650.0000 -195.76770 -184.13397 11.63373 2.88912 -184.86349 992.57976
655.0000 -192.35077 -182.04139 10.30938 3.01434 -182.51931 1085.85725
660.0000 -193.98242 -183.64474 10.33768 2.97403 -183.27389 1046.15140
665.0000 -194.01817 -184.37652 9.64164 2.95661 -183.60011 1023.14026
670.0000 -194.48622 -183.41774 11.06848 2.93837 -183.94149 1015.01452
675.0000 -194.91247 -185.99932 8.91314 2.90767 -184.51629 995.91543
680.0000 -195.03215 -184.45962 10.57253 2.87216 -185.18094 978.58985
685.0000 -194.11540 -183.45098 10.66442 2.93674 -183.97193 1021.70874
690.0000 -192.99423 -181.67507 11.31916 2.97122 -183.32643 1025.58088
695.0000 -192.34174 -181.66400 10.67774 3.07393 -181.40367 1120.83724
700.0000 -193.25405 -181.33036 11.92369 3.04731 -181.90213 1072.50635
705.0000 -192.07969 -181.45656 10.62313 3.08129 -181.26584 1133.82662
710.0000 -195.32409 -183.77151 11.55258 2.96602 -183.42381 1038.70038
715.0000 -196.62047 -185.57326 11.04721 2.92383 -184.21368 1033.25254
720.0000 -194.83176 -184.91184 9.91992 2.89993 -184.66111 1012.49669
725.0000 -193.87188 -184.20594 9.66594 2.92110 -184.26475 1027.54575
730.0000 -194.07335 -182.31926 11.75409 3.00824 -182.63344 1067.22650
735.0000 -192.70405 -182.37489 10.32917 3.00832 -182.63192 1076.21832
740.0000 -192.50028 -182.19759 10.30269 3.03404 -182.15051 1059.97160
745.0000 -192.37961 -181.75269 10.62693 3.03194 -182.18985 1078.46054
750.0000 -192.91177 -183.10525 9.80652 2.95759 -183.58161 1030.52098
FREEZING PROCESS: loop number 4 T-loop= 1000.0000000000000
main_MD> interactions number 4 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42012 0.42953 0.54911
force_rgl> df(natom) -0.91121 -0.12549 3.53519
755.0000 -194.53878 -184.53213 10.00665 2.94011 -183.90890 1027.70494
760.0000 -197.09789 -186.58783 10.51006 2.86891 -185.24176 978.80540
765.0000 -192.91206 -181.96758 10.94448 2.93908 -183.92825 1040.21072
770.0000 -193.43065 -183.56490 9.86575 3.00717 -182.65346 1033.89175
775.0000 -196.21651 -183.75940 12.45711 2.96503 -183.44233 1042.29478
780.0000 -192.03184 -182.25427 9.77757 2.98831 -183.00662 1046.23987
785.0000 -194.75793 -182.07953 12.67840 2.96775 -183.39150 1022.20854
790.0000 -191.37066 -180.31719 11.05347 3.05518 -181.75469 1119.96311
795.0000 -195.01982 -182.21172 12.80809 3.07505 -181.38279 1109.93456
800.0000 -194.09461 -182.89317 11.20143 2.99351 -182.90918 1042.25816
805.0000 -195.36755 -184.82770 10.53985 2.96771 -183.39230 1016.39145
810.0000 -193.93107 -182.67904 11.25203 2.95388 -183.65108 996.13135
815.0000 -190.82131 -179.94936 10.87196 3.05582 -181.74277 1084.81131
820.0000 -194.91014 -184.20594 10.70420 3.06737 -181.52658 1111.54872
825.0000 -195.31525 -185.70135 9.61390 2.86155 -185.37965 975.63451
830.0000 -196.44234 -184.85988 11.58246 2.87394 -185.14763 995.36248
835.0000 -195.27901 -184.22869 11.05033 2.88480 -184.94443 1013.88588
840.0000 -194.02947 -184.43514 9.59433 2.95999 -183.53668 1048.65756
845.0000 -196.02073 -184.84665 11.17409 2.83776 -185.82492 967.29793
850.0000 -195.81637 -185.95235 9.86402 2.86578 -185.30047 995.67173
855.0000 -194.61810 -182.61565 12.00245 2.91494 -184.38021 1000.44731
860.0000 -196.13503 -181.16523 14.96980 3.03206 -182.18749 1096.88495
865.0000 -194.27973 -183.49150 10.78822 3.04675 -181.91259 1090.35139
870.0000 -197.61442 -187.72719 9.88723 2.84385 -185.71089 975.83084
875.0000 -195.83917 -185.82772 10.01145 2.76261 -187.23177 920.39067
880.0000 -195.13454 -186.32528 8.80926 2.81746 -186.20500 969.21348
885.0000 -193.79343 -182.89344 10.89999 2.83448 -185.88640 957.27361
890.0000 -194.10567 -183.42609 10.67958 2.95944 -183.54707 1042.86658
895.0000 -195.38848 -185.64211 9.74638 2.89603 -184.73421 995.67798
900.0000 -196.26244 -184.91745 11.34500 2.90297 -184.60423 1014.44370
905.0000 -195.52414 -184.90596 10.61818 2.86694 -185.27864 965.71294
910.0000 -195.74007 -185.30397 10.43609 2.87786 -185.07431 983.13244
915.0000 -196.74655 -186.36638 10.38017 2.83228 -185.92766 962.66934
920.0000 -197.68835 -186.71653 10.97182 2.69219 -188.55008 841.49244
925.0000 -195.66614 -185.54395 10.12219 2.81847 -186.18607 940.61775
930.0000 -194.79349 -182.71916 12.07434 2.93557 -183.99388 1026.85439
935.0000 -193.92131 -184.78796 9.13334 2.93805 -183.94746 1031.98782
940.0000 -195.37599 -182.96378 12.41220 2.92078 -184.27082 1042.22929
945.0000 -197.20990 -185.22094 11.98897 2.94352 -183.84502 1034.31890
950.0000 -197.16423 -187.69775 9.46647 2.78290 -186.85194 897.58459
955.0000 -193.08662 -181.50144 11.58518 2.90481 -184.56970 1003.87517
960.0000 -195.29967 -184.06494 11.23473 2.96283 -183.48356 1046.88376
965.0000 -196.71532 -186.84262 9.87270 2.83970 -185.78873 948.86153
970.0000 -196.20208 -185.41831 10.78377 2.87427 -185.14151 975.71431
975.0000 -194.44050 -183.92765 10.51284 2.86424 -185.32929 976.57034
980.0000 -195.08818 -184.42663 10.66155 2.94657 -183.78793 1031.49366
985.0000 -196.43573 -186.01951 10.41622 2.88199 -184.99700 1003.71356
990.0000 -194.97227 -185.26404 9.70823 2.83093 -185.95293 954.72882
995.0000 -194.86667 -183.23277 11.63390 2.92621 -184.16910 1013.23915
1000.0000 -195.67398 -185.76611 9.90787 2.95148 -183.69612 1054.35457
FREEZING PROCESS: loop number 5 T-loop= 975.00000000000000
main_MD> interactions number 5 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29012 0.01360 2.94077
force_rgl> df(natom) 1.44112 0.98123 -2.87448
1005.0000 -195.01641 -185.09081 9.92559 2.91499 -184.37912 1024.85598
1010.0000 -195.71288 -183.88312 11.82976 2.88021 -185.03029 953.50071
1015.0000 -194.22726 -183.07249 11.15477 2.87357 -185.15467 955.99644
1020.0000 -196.61136 -185.43296 11.17840 2.90642 -184.53956 997.58490
1025.0000 -196.87003 -188.09123 8.77880 2.79390 -186.64613 919.10191
1030.0000 -196.00461 -186.59463 9.40998 2.72347 -187.96452 882.54565
1035.0000 -196.02429 -186.08062 9.94367 2.85035 -185.58926 943.18936
1040.0000 -195.30995 -185.96881 9.34115 2.86207 -185.36980 970.82452
1045.0000 -195.11821 -185.22973 9.88849 2.83058 -185.95939 943.43254
1050.0000 -196.37004 -184.73330 11.63674 2.88469 -184.94638 965.93283
1055.0000 -195.34023 -184.68876 10.65147 2.89284 -184.79385 983.57612
1060.0000 -193.61624 -184.91289 8.70335 2.91332 -184.41053 979.71715
1065.0000 -195.41898 -184.21007 11.20891 2.90547 -184.55733 1014.74607
1070.0000 -196.64547 -185.91250 10.73297 2.84627 -185.66576 973.30614
1075.0000 -195.48793 -184.24039 11.24754 2.84825 -185.62869 965.43484
1080.0000 -195.28148 -185.40469 9.87678 2.84326 -185.72207 969.49056
1085.0000 -193.99175 -183.81060 10.18115 2.87436 -185.13985 967.58715
1090.0000 -196.18529 -186.84883 9.33645 2.87520 -185.12404 971.46234
1095.0000 -196.15194 -185.07264 11.07930 2.84133 -185.75821 974.68239
1100.0000 -195.60098 -185.70270 9.89828 2.81778 -186.19910 944.78891
1105.0000 -197.70697 -188.62676 9.08020 2.80397 -186.45764 956.46557
1110.0000 -195.87767 -186.14885 9.72881 2.73426 -187.76257 901.67701
1115.0000 -198.11525 -189.45342 8.66184 2.77284 -187.04035 929.50744
1120.0000 -196.81502 -185.36264 11.45238 2.75332 -187.40582 910.18064
1125.0000 -195.91466 -186.59734 9.31732 2.79933 -186.54448 941.63770
1130.0000 -196.36482 -186.09950 10.26533 2.88979 -184.85094 998.16605
1135.0000 -196.53347 -187.81421 8.71926 2.78044 -186.89813 915.53479
1140.0000 -196.18739 -184.92303 11.26436 2.81286 -186.29107 933.43293
1145.0000 -195.28176 -185.44374 9.83802 2.85717 -185.46156 993.60917
1150.0000 -195.85098 -185.51762 10.33336 2.81328 -186.28321 957.04547
1155.0000 -197.23485 -186.80954 10.42531 2.79618 -186.60349 964.05168
1160.0000 -195.78319 -186.17288 9.61031 2.80968 -186.35065 934.64394
1165.0000 -195.39492 -184.67138 10.72355 2.87391 -185.14832 1001.07401
1170.0000 -198.42250 -189.14251 9.27999 2.78393 -186.83278 920.50393
1175.0000 -196.29794 -186.84381 9.45412 2.78684 -186.77817 938.51390
1180.0000 -196.53362 -187.81662 8.71700 2.76128 -187.25670 915.27900
1185.0000 -195.15986 -184.14741 11.01244 2.84693 -185.65341 967.34829
1190.0000 -197.04469 -187.20584 9.83885 2.81556 -186.24053 941.43215
1195.0000 -195.69672 -185.49790 10.19882 2.80737 -186.39382 953.73393
1200.0000 -197.47660 -187.34179 10.13481 2.85991 -185.41024 971.81326
1205.0000 -197.11043 -188.48619 8.62423 2.74042 -187.64730 868.00098
1210.0000 -196.47448 -185.94581 10.52866 2.72670 -187.90417 886.33209
1215.0000 -195.21291 -184.45966 10.75325 2.89382 -184.77558 1009.62653
1220.0000 -195.68663 -185.77182 9.91481 2.83601 -185.85775 934.04889
1225.0000 -196.60413 -185.77061 10.83352 2.83311 -185.91203 945.93913
1230.0000 -194.37900 -183.92954 10.44946 2.89573 -184.73984 1007.60228
1235.0000 -195.47668 -184.51078 10.96590 2.89532 -184.74736 987.56078
1240.0000 -193.92986 -182.23924 11.69062 2.96764 -183.39352 1023.21422
1245.0000 -193.66578 -184.22320 9.44258 2.93563 -183.99283 1009.70726
1250.0000 -195.01614 -184.44542 10.57072 2.95757 -183.58200 1021.72474
FREEZING PROCESS: loop number 6 T-loop= 950.00000000000000
main_MD> interactions number 6 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28778 -0.06828 -0.63128
force_rgl> df(natom) -0.43849 0.51657 -0.91334
1255.0000 -194.69219 -184.72755 9.96464 2.87722 -185.08626 974.75347
1260.0000 -194.88283 -185.84284 9.03999 2.81464 -186.25775 928.47412
1265.0000 -196.79854 -185.64265 11.15589 2.87458 -185.13568 963.82542
1270.0000 -196.56712 -186.94789 9.61923 2.81180 -186.31096 899.63842
1275.0000 -196.33049 -186.23722 10.09327 2.80147 -186.50428 913.26368
1280.0000 -196.21050 -185.52936 10.68114 2.79258 -186.67087 925.64061
1285.0000 -196.97962 -186.02531 10.95432 2.80619 -186.41607 961.12175
1290.0000 -195.32720 -185.69293 9.63426 2.84060 -185.77176 960.00888
1295.0000 -194.90597 -185.39529 9.51068 2.83958 -185.79086 961.24043
1300.0000 -192.93662 -182.38976 10.54686 2.96451 -183.45210 1022.42365
1305.0000 -194.01351 -180.87918 13.13433 3.01478 -182.51112 1041.54752
1310.0000 -197.66892 -187.37496 10.29396 2.94410 -183.83431 1037.56624
1315.0000 -196.57188 -186.82697 9.74491 2.78377 -186.83574 935.72333
1320.0000 -195.26676 -185.72112 9.54564 2.82585 -186.04790 956.28905
1325.0000 -193.80396 -182.58988 11.21407 2.97243 -183.30380 1019.43332
1330.0000 -195.47218 -185.55382 9.91836 2.90925 -184.48668 978.20821
1335.0000 -196.39200 -186.08309 10.30892 2.83301 -185.91400 957.39645
1340.0000 -196.17976 -187.12732 9.05243 2.74118 -187.63311 871.87608
1345.0000 -196.14494 -186.34768 9.79726 2.77034 -187.08713 901.13881
1350.0000 -196.27795 -186.38973 9.88822 2.79793 -186.57058 953.05173
1355.0000 -194.83754 -185.62062 9.21692 2.83011 -185.96827 949.86192
1360.0000 -196.54224 -187.44467 9.09757 2.84040 -185.77562 966.96189
1365.0000 -195.95459 -188.00961 7.94498 2.71201 -188.17922 860.66974
1370.0000 -196.27433 -188.05809 8.21623 2.68817 -188.62543 824.41046
1375.0000 -197.13379 -187.74140 9.39239 2.73200 -187.80486 883.69444
1380.0000 -195.36764 -185.93693 9.43072 2.79188 -186.68398 924.91881
1385.0000 -195.15032 -185.55730 9.59302 2.81000 -186.34474 939.60462
1390.0000 -196.20965 -186.13781 10.07184 2.79487 -186.62791 930.59430
1395.0000 -193.24678 -184.41882 8.82797 2.90071 -184.64647 1006.26684
1400.0000 -195.75060 -184.30356 11.44705 2.90222 -184.61833 979.16615
1405.0000 -196.20071 -186.23667 9.96404 2.87572 -185.11430 1020.71115
1410.0000 -195.78213 -186.49739 9.28474 2.82071 -186.14410 936.87711
1415.0000 -195.65330 -186.54266 9.11064 2.79310 -186.66108 916.30115
1420.0000 -197.16527 -187.56878 9.59649 2.79583 -186.61003 923.75481
1425.0000 -197.37054 -187.06057 10.30997 2.79412 -186.64190 919.71710
1430.0000 -196.59946 -187.82183 8.77763 2.74649 -187.53361 906.05539
1435.0000 -197.74010 -188.09304 9.64706 2.72018 -188.02613 868.69048
1440.0000 -194.51744 -184.72886 9.78858 2.78109 -186.88593 937.42721
1445.0000 -195.84521 -186.11671 9.72850 2.86717 -185.27446 983.13987
1450.0000 -195.98260 -186.65851 9.32409 2.83205 -185.93198 906.42871
1455.0000 -194.46031 -183.63803 10.82228 2.88084 -185.01858 960.21134
1460.0000 -195.23057 -186.47020 8.76037 2.89041 -184.83932 999.04392
1465.0000 -195.11178 -185.12515 9.98663 2.86770 -185.26442 998.87612
1470.0000 -196.25619 -186.83531 9.42088 2.81270 -186.29422 961.35064
1475.0000 -196.61360 -186.68714 9.92646 2.78994 -186.72020 905.88449
1480.0000 -194.49558 -185.16858 9.32700 2.86644 -185.28813 990.00233
1485.0000 -194.67142 -183.44402 11.22740 2.93720 -183.96339 1001.19597
1490.0000 -196.25731 -185.78766 10.46964 2.88147 -185.00678 988.20753
1495.0000 -196.28521 -184.63856 11.64665 2.91572 -184.36549 1016.39332
1500.0000 -196.05945 -185.27203 10.78742 2.91379 -184.40157 1024.80022
FREEZING PROCESS: loop number 7 T-loop= 925.00000000000000
main_MD> interactions number 7 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28474 -2.84316 1.23857
force_rgl> df(natom) -1.40537 -0.44935 1.35331
1505.0000 -197.90689 -187.59233 10.31456 2.79772 -186.57461 940.05658
1510.0000 -196.93811 -187.72275 9.21535 2.68869 -188.61563 883.85519
1515.0000 -195.38135 -186.39026 8.99108 2.76539 -187.17978 925.88350
1520.0000 -195.74953 -184.96387 10.78566 2.85850 -185.43663 970.75489
1525.0000 -194.77424 -184.73232 10.04191 2.87576 -185.11362 963.74699
1530.0000 -194.02073 -185.19570 8.82503 2.88502 -184.94026 958.75415
1535.0000 -197.20664 -185.61321 11.59343 2.84170 -185.75130 965.54384
1540.0000 -197.18661 -187.52572 9.66089 2.78261 -186.85735 903.13973
1545.0000 -197.10142 -188.74455 8.35687 2.69008 -188.58959 860.80245
1550.0000 -197.49403 -188.37111 9.12292 2.70916 -188.23257 890.09060
1555.0000 -196.07417 -185.78404 10.29013 2.74409 -187.57854 885.84011
1560.0000 -194.33663 -185.22242 9.11421 2.81589 -186.23438 954.79977
1565.0000 -195.81016 -186.23053 9.57963 2.84361 -185.71547 941.17739
1570.0000 -196.99540 -187.43287 9.56253 2.80145 -186.50465 905.53618
1575.0000 -196.67444 -186.61522 10.05922 2.81755 -186.20334 931.26535
1580.0000 -196.10357 -187.81179 8.29178 2.77631 -186.97541 909.60889
1585.0000 -197.37531 -187.30135 10.07396 2.70268 -188.35383 860.24748
1590.0000 -195.47871 -186.87103 8.60767 2.74100 -187.63642 901.12342
1595.0000 -196.03437 -185.64409 10.39028 2.78128 -186.88236 896.16084
1600.0000 -197.50384 -186.20195 11.30188 2.87230 -185.17829 960.83738
1605.0000 -195.85009 -187.63763 8.21245 2.71518 -188.11973 882.98707
1610.0000 -198.56049 -188.66425 9.89624 2.71327 -188.15556 871.96793
1615.0000 -195.78660 -186.80728 8.97933 2.76176 -187.24783 907.37098
1620.0000 -194.25744 -186.15868 8.09876 2.80253 -186.48454 926.52434
1625.0000 -196.41839 -187.03181 9.38657 2.79538 -186.61836 918.00603
1630.0000 -197.26688 -187.16453 10.10234 2.79105 -186.69953 921.86776
1635.0000 -198.90826 -188.11189 10.79637 2.70940 -188.22806 871.81096
1640.0000 -199.47570 -189.44073 10.03497 2.65940 -189.16399 850.28342
1645.0000 -197.09343 -186.92007 10.17336 2.68027 -188.77336 850.69095
1650.0000 -197.02278 -188.25182 8.77096 2.75226 -187.42557 921.49238
1655.0000 -197.34230 -185.47025 11.87205 2.81199 -186.30734 923.83262
1660.0000 -196.46560 -186.27314 10.19246 2.85331 -185.53381 962.07487
1665.0000 -197.59492 -187.54622 10.04871 2.82354 -186.09112 957.03873
1670.0000 -198.38175 -189.08000 9.30175 2.65781 -189.19379 829.51783
1675.0000 -197.43492 -188.16099 9.27393 2.69663 -188.46705 879.68786
1680.0000 -194.58608 -186.12211 8.46397 2.79655 -186.59649 882.41432
1685.0000 -195.90426 -184.87995 11.02431 2.88481 -184.94416 981.56814
1690.0000 -196.12229 -186.05729 10.06500 2.85569 -185.48933 956.00861
1695.0000 -198.83743 -189.55106 9.28637 2.70105 -188.38429 884.83095
1700.0000 -197.17934 -187.52594 9.65340 2.64748 -189.38723 855.25274
1705.0000 -198.16571 -188.95305 9.21267 2.67737 -188.82765 859.14892
1710.0000 -197.23886 -188.35997 8.87890 2.73806 -187.69145 913.09953
1715.0000 -196.76382 -188.26257 8.50126 2.74279 -187.60295 897.93638
1720.0000 -197.50216 -189.16186 8.34030 2.71061 -188.20528 855.23032
1725.0000 -196.30834 -186.34644 9.96190 2.74953 -187.47681 879.30990
1730.0000 -194.84048 -186.35904 8.48144 2.74166 -187.62403 862.66157
1735.0000 -196.48074 -186.27744 10.20330 2.81284 -186.29145 939.90869
1740.0000 -197.09271 -188.73971 8.35300 2.74035 -187.64851 902.92049
1745.0000 -196.08375 -185.80808 10.27568 2.73809 -187.69093 884.74788
1750.0000 -196.56438 -187.27883 9.28556 2.77870 -186.93067 914.87168
FREEZING PROCESS: loop number 8 T-loop= 900.00000000000000
main_MD> interactions number 8 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07154 1.90926 1.97992
force_rgl> df(natom) 0.46152 2.28649 -0.43755
1755.0000 -197.85417 -188.70757 9.14660 2.72271 -187.97886 880.10752
1760.0000 -195.94246 -187.38686 8.55560 2.71889 -188.05033 906.19908
1765.0000 -197.30312 -189.31625 7.98686 2.70743 -188.26483 871.43415
1770.0000 -197.01490 -187.54083 9.47406 2.68455 -188.69325 879.00865
1775.0000 -196.75814 -184.54335 12.21479 2.84732 -185.64594 989.18270
1780.0000 -196.90496 -187.78431 9.12065 2.83097 -185.95219 947.40613
1785.0000 -198.09212 -189.36925 8.72287 2.70164 -188.37335 866.64799
1790.0000 -198.98386 -189.88304 9.10082 2.65443 -189.25704 817.89433
1795.0000 -198.20589 -191.02902 7.17687 2.54765 -191.25610 763.63823
1800.0000 -197.55116 -188.37103 9.18013 2.65556 -189.23596 844.16546
1805.0000 -195.36278 -188.54273 6.82005 2.72981 -187.84584 876.54269
1810.0000 -196.14928 -186.63665 9.51264 2.71815 -188.06410 858.87689
1815.0000 -197.71053 -188.57382 9.13671 2.74222 -187.61353 915.03788
1820.0000 -196.25314 -187.90737 8.34578 2.73496 -187.74948 924.74552
1825.0000 -196.21520 -187.99268 8.22251 2.76049 -187.27159 883.21381
1830.0000 -197.78124 -188.43795 9.34329 2.70584 -188.29460 855.18629
1835.0000 -198.04775 -190.87284 7.17492 2.60298 -190.22026 801.98106
1840.0000 -198.57014 -189.32238 9.24776 2.58602 -190.53771 800.88607
1845.0000 -197.73725 -187.99842 9.73883 2.66989 -188.96761 863.05697
1850.0000 -197.25188 -188.34333 8.90855 2.67068 -188.95278 837.49629
1855.0000 -195.45534 -187.22954 8.22580 2.72414 -187.95213 889.86615
1860.0000 -197.48789 -188.09269 9.39520 2.75145 -187.44069 879.00401
1865.0000 -197.09216 -187.85554 9.23662 2.71645 -188.09602 878.60757
1870.0000 -195.44613 -186.28031 9.16582 2.76816 -187.12801 909.00601
1875.0000 -194.91389 -186.11269 8.80120 2.84251 -185.73615 938.94861
1880.0000 -194.52628 -184.72334 9.80294 2.87374 -185.15144 948.65782
1885.0000 -198.06068 -187.88180 10.17888 2.79103 -186.69978 887.54498
1890.0000 -198.61946 -190.05273 8.56673 2.68319 -188.71863 860.66795
1895.0000 -196.99702 -189.19135 7.80566 2.66111 -189.13195 846.10370
1900.0000 -197.64187 -188.27318 9.36870 2.68523 -188.68051 853.82158
1905.0000 -197.79695 -188.92280 8.87415 2.71594 -188.10546 903.22221
1910.0000 -199.27024 -189.21732 10.05292 2.67631 -188.84754 890.09197
1915.0000 -198.39568 -189.49650 8.89918 2.63335 -189.65175 842.43388
1920.0000 -198.76422 -188.74458 10.01963 2.65201 -189.30232 842.15524
1925.0000 -197.94126 -188.74536 9.19590 2.65463 -189.25330 840.17441
1930.0000 -197.45730 -186.72748 10.72982 2.72172 -187.99726 902.41653
1935.0000 -196.90409 -188.34318 8.56091 2.77871 -186.93042 930.05318
1940.0000 -197.57548 -188.49331 9.08217 2.67477 -188.87637 831.32003
1945.0000 -196.79844 -187.66254 9.13590 2.69810 -188.43954 862.70762
1950.0000 -196.56007 -187.98861 8.57146 2.75075 -187.45398 891.50412
1955.0000 -196.42160 -187.33644 9.08516 2.74404 -187.57949 898.50196
1960.0000 -196.33024 -185.41058 10.91965 2.81455 -186.25942 943.72430
1965.0000 -196.12611 -188.23082 7.89528 2.83714 -185.83658 925.48315
1970.0000 -198.71029 -190.03595 8.67434 2.65794 -189.19133 850.04654
1975.0000 -197.91404 -189.96811 7.94593 2.65340 -189.27634 833.92425
1980.0000 -198.65322 -190.16882 8.48440 2.61087 -190.07250 804.87912
1985.0000 -197.81933 -189.63374 8.18559 2.62451 -189.81724 818.14905
1990.0000 -198.15652 -188.53509 9.62143 2.68180 -188.74477 837.78930
1995.0000 -197.59320 -187.21913 10.37407 2.70245 -188.35816 853.06504
2000.0000 -197.01965 -186.09609 10.92356 2.82058 -186.14659 947.42591
FREEZING PROCESS: loop number 9 T-loop= 875.00000000000000
main_MD> interactions number 9 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98062 -0.25382 -3.01377
force_rgl> df(natom) 1.28832 -2.80231 -1.26605
2005.0000 -196.47057 -187.51426 8.95631 2.77628 -186.97594 918.95828
2010.0000 -194.56776 -185.10729 9.46047 2.81747 -186.20477 946.35556
2015.0000 -195.88115 -186.37348 9.50767 2.82216 -186.11704 974.48718
2020.0000 -197.62489 -187.64534 9.97955 2.80298 -186.47602 928.98111
2025.0000 -196.59200 -188.51192 8.08008 2.69749 -188.45091 863.82820
2030.0000 -197.42667 -189.29697 8.12969 2.71948 -188.03937 884.33625
2035.0000 -198.75029 -189.89257 8.85772 2.62566 -189.79569 825.90162
2040.0000 -199.43765 -189.37431 10.06334 2.61843 -189.93107 836.95979
2045.0000 -199.88939 -191.68920 8.20020 2.62457 -189.81602 826.33499
2050.0000 -198.01961 -189.73349 8.28613 2.59899 -190.29490 807.43882
2055.0000 -198.56019 -190.04950 8.51069 2.62382 -189.83013 843.53744
2060.0000 -197.34359 -189.09790 8.24568 2.65795 -189.19111 856.62372
2065.0000 -196.93508 -187.80174 9.13334 2.70238 -188.35941 877.11207
2070.0000 -197.53482 -189.44792 8.08690 2.68467 -188.69087 854.16550
2075.0000 -199.28614 -191.24429 8.04185 2.62309 -189.84378 842.15951
2080.0000 -196.44036 -188.51303 7.92733 2.64586 -189.41745 860.38393
2085.0000 -196.41466 -188.32931 8.08535 2.67254 -188.91799 857.42366
2090.0000 -197.81880 -187.47439 10.34441 2.68651 -188.65645 855.55391
2095.0000 -197.67218 -189.43503 8.23715 2.68945 -188.60141 873.06976
2100.0000 -196.72205 -186.12451 10.59754 2.74044 -187.64682 886.53856
2105.0000 -197.33872 -187.57127 9.76745 2.79617 -186.60350 938.10229
2110.0000 -195.45966 -187.17967 8.27998 2.75254 -187.42035 894.79443
2115.0000 -197.11583 -187.96760 9.14823 2.73245 -187.79650 898.52238
2120.0000 -196.15177 -187.62313 8.52864 2.77496 -187.00064 919.61952
2125.0000 -197.36905 -187.79463 9.57443 2.77770 -186.94932 922.40606
2130.0000 -196.91469 -188.15549 8.75921 2.69549 -188.48835 878.31973
2135.0000 -197.61828 -188.02662 9.59166 2.67820 -188.81207 843.24820
2140.0000 -197.41159 -189.08618 8.32542 2.70951 -188.22597 877.01064
2145.0000 -198.84412 -190.21761 8.62650 2.60495 -190.18331 806.69466
2150.0000 -197.18867 -188.53119 8.65748 2.71910 -188.04641 907.19355
2155.0000 -198.53966 -189.73880 8.80087 2.61698 -189.95819 813.50979
2160.0000 -197.33510 -188.95532 8.37978 2.70056 -188.39346 884.35553
2165.0000 -194.91841 -185.25332 9.66510 2.77252 -187.04640 927.14135
2170.0000 -194.64185 -186.30430 8.33754 2.83935 -185.79526 954.59742
2175.0000 -196.68112 -188.88052 7.80059 2.82008 -186.15600 931.87893
2180.0000 -196.01699 -187.68401 8.33298 2.73640 -187.72252 857.50124
2185.0000 -198.14792 -188.77545 9.37246 2.68118 -188.75633 854.22290
2190.0000 -196.83297 -188.31897 8.51400 2.69900 -188.42277 888.36077
2195.0000 -197.51078 -188.14281 9.36797 2.77949 -186.91588 931.58701
2200.0000 -196.35109 -188.95724 7.39385 2.69840 -188.43385 831.40920
2205.0000 -196.26658 -187.20633 9.06026 2.74715 -187.52133 857.91154
2210.0000 -195.25637 -186.88046 8.37592 2.77996 -186.90707 908.31301
2215.0000 -196.04965 -187.49277 8.55687 2.75018 -187.46452 883.75780
2220.0000 -195.48461 -187.82610 7.65851 2.74607 -187.54154 886.34561
2225.0000 -197.63526 -189.68418 7.95109 2.72376 -187.95921 887.40605
2230.0000 -197.49134 -188.88595 8.60539 2.68211 -188.73891 850.75502
2235.0000 -200.01314 -190.61042 9.40272 2.57762 -190.69494 815.56598
2240.0000 -197.35121 -188.07324 9.27797 2.64038 -189.52013 836.48990
2245.0000 -196.82856 -187.27661 9.55195 2.75209 -187.42886 936.54499
2250.0000 -199.36718 -188.53235 10.83483 2.72277 -187.97770 886.55667
FREEZING PROCESS: loop number 10 T-loop= 850.00000000000000
main_MD> interactions number 10 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54153 -1.35148 1.57571
force_rgl> df(natom) -1.80711 1.48396 0.38093
2255.0000 -199.35799 -191.52910 7.82889 2.64831 -189.37167 858.84001
2260.0000 -199.70081 -191.05192 8.64889 2.55836 -191.05558 793.64694
2265.0000 -200.54990 -192.93710 7.61280 2.51078 -191.94627 764.95783
2270.0000 -197.11350 -188.55254 8.56096 2.61820 -189.93535 829.44121
2275.0000 -196.81347 -187.48437 9.32911 2.72715 -187.89569 892.48840
2280.0000 -198.53892 -189.02439 9.51453 2.70059 -188.39287 886.27214
2285.0000 -196.49860 -186.48652 10.01207 2.72644 -187.90906 871.45217
2290.0000 -195.45086 -187.51627 7.93459 2.71222 -188.17528 880.85152
2295.0000 -196.76427 -186.42189 10.34238 2.72991 -187.84403 887.35663
2300.0000 -198.20134 -188.79434 9.40701 2.77007 -187.09222 913.38863
2305.0000 -199.52069 -190.13638 9.38432 2.65116 -189.31821 843.74221
2310.0000 -198.04461 -188.65491 9.38970 2.64005 -189.52624 822.86323
2315.0000 -197.47307 -188.22294 9.25013 2.73584 -187.73300 891.02371
2320.0000 -196.59289 -189.42604 7.16685 2.71317 -188.15741 860.97270
2325.0000 -197.14543 -187.97352 9.17192 2.64727 -189.39111 817.95938
2330.0000 -195.52625 -187.01008 8.51618 2.75126 -187.44428 895.84183
2335.0000 -198.29836 -189.29637 9.00198 2.71268 -188.16650 888.57820
2340.0000 -197.21908 -188.73960 8.47948 2.71852 -188.05725 871.10260
2345.0000 -196.48920 -186.87976 9.60944 2.74503 -187.56089 885.45267
2350.0000 -196.12223 -187.24500 8.87723 2.77421 -187.01472 906.12428
2355.0000 -197.41934 -188.14313 9.27622 2.73193 -187.80627 862.09309
2360.0000 -199.29516 -190.93662 8.35854 2.61192 -190.05290 832.16546
2365.0000 -198.26532 -189.44476 8.82057 2.62768 -189.75778 847.76404
2370.0000 -197.47993 -188.18416 9.29577 2.68226 -188.73604 841.71740
2375.0000 -196.62153 -186.79932 9.82220 2.75259 -187.41937 930.91859
2380.0000 -197.76856 -188.13818 9.63037 2.71902 -188.04792 879.55893
2385.0000 -198.60102 -190.88954 7.71148 2.63541 -189.61322 824.89578
2390.0000 -199.75554 -192.21374 7.54180 2.59315 -190.40426 824.38762
2395.0000 -198.60258 -190.45537 8.14721 2.56719 -190.89026 764.81956
2400.0000 -199.80907 -190.42672 9.38235 2.62292 -189.84696 789.91887
2405.0000 -200.35050 -190.70973 9.64077 2.66061 -189.14142 829.66703
2410.0000 -197.75487 -189.84446 7.91040 2.58014 -190.64783 782.17457
2415.0000 -197.86492 -188.43809 9.42684 2.71984 -188.03248 897.39655
2420.0000 -197.47759 -186.90020 10.57739 2.72769 -187.88566 861.21398
2425.0000 -197.14675 -188.28914 8.85762 2.76580 -187.17211 913.61345
2430.0000 -198.62933 -189.75166 8.87766 2.71358 -188.14976 871.54119
2435.0000 -197.07352 -189.23474 7.83879 2.62641 -189.78172 820.64135
2440.0000 -197.19816 -188.11870 9.07946 2.65628 -189.22243 837.16216
2445.0000 -198.86352 -188.94733 9.91619 2.72519 -187.93245 883.41271
2450.0000 -197.40704 -189.27933 8.12772 2.69734 -188.45381 869.70111
2455.0000 -198.81388 -190.72410 8.08978 2.62484 -189.81107 800.21953
2460.0000 -198.79806 -190.02408 8.77398 2.58964 -190.46998 811.08898
2465.0000 -198.05373 -190.83814 7.21559 2.55003 -191.21155 786.99135
2470.0000 -198.46191 -189.28859 9.17332 2.64957 -189.34805 853.31757
2475.0000 -197.71333 -189.20707 8.50627 2.64579 -189.41887 825.47279
2480.0000 -198.70447 -188.19622 10.50825 2.62744 -189.76234 815.95053
2485.0000 -198.11655 -188.88025 9.23629 2.69878 -188.42679 896.76913
2490.0000 -198.84055 -189.49461 9.34594 2.69110 -188.57062 844.00053
2495.0000 -197.66911 -189.53857 8.13054 2.67090 -188.94873 849.14969
2500.0000 -198.15724 -190.04482 8.11242 2.65831 -189.18451 825.93898
FREEZING PROCESS: loop number 11 T-loop= 825.00000000000000
main_MD> interactions number 11 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78876 4.04702 -2.35937
force_rgl> df(natom) -3.58673 -0.64129 -3.91742
2505.0000 -198.12790 -189.37560 8.75230 2.62127 -189.87778 825.01660
2510.0000 -197.16734 -189.08882 8.07852 2.62753 -189.76059 839.49032
2515.0000 -198.34199 -189.02743 9.31455 2.66720 -189.01806 835.84898
2520.0000 -197.97396 -188.76531 9.20865 2.68169 -188.74665 842.47798
2525.0000 -199.47764 -190.24763 9.23001 2.64899 -189.35897 841.62680
2530.0000 -198.01066 -189.56407 8.44658 2.62988 -189.71665 832.73705
2535.0000 -199.04206 -189.51393 9.52813 2.64881 -189.36230 842.31617
2540.0000 -197.13618 -188.34818 8.78801 2.68366 -188.70993 889.46714
2545.0000 -198.21010 -188.81476 9.39534 2.67406 -188.88961 863.25241
2550.0000 -196.31245 -188.38200 7.93045 2.71648 -188.09543 877.93253
2555.0000 -196.23326 -186.10254 10.13073 2.78370 -186.83698 894.62466
2560.0000 -198.45407 -189.55174 8.90232 2.73721 -187.70727 885.77222
2565.0000 -199.00790 -191.19195 7.81595 2.60119 -190.25370 788.00732
2570.0000 -197.36347 -187.55010 9.81337 2.64084 -189.51148 813.16258
2575.0000 -196.98519 -188.08175 8.90343 2.73966 -187.66144 894.51819
2580.0000 -199.79792 -190.85401 8.94391 2.72967 -187.84849 890.15445
2585.0000 -200.42303 -192.24199 8.18103 2.56072 -191.01136 782.48695
2590.0000 -198.81098 -191.20354 7.60744 2.49557 -192.23110 723.65655
2595.0000 -200.05353 -192.26603 7.78750 2.49993 -192.14941 718.19291
2600.0000 -198.24729 -190.46408 7.78321 2.48860 -192.36161 729.81942
2605.0000 -199.38011 -189.88796 9.49215 2.58644 -190.52986 817.64361
2610.0000 -197.67316 -189.98831 7.68485 2.65479 -189.25036 824.80493
2615.0000 -198.29795 -189.84681 8.45114 2.60989 -190.09086 798.52428
2620.0000 -199.36623 -189.74411 9.62212 2.62923 -189.72887 821.38204
2625.0000 -196.68447 -188.61453 8.06994 2.64569 -189.42068 839.57296
2630.0000 -196.77989 -188.01896 8.76094 2.69485 -188.50037 846.66654
2635.0000 -197.09195 -187.76195 9.33000 2.75111 -187.44705 893.75318
2640.0000 -198.84456 -190.06473 8.77983 2.65822 -189.18606 833.65325
2645.0000 -199.20284 -189.32262 9.88022 2.61567 -189.98274 826.91804
2650.0000 -198.19867 -189.81000 8.38867 2.65924 -189.16709 828.95304
2655.0000 -198.63251 -191.17448 7.45803 2.62133 -189.87675 811.70196
2660.0000 -198.11135 -190.35694 7.75441 2.55468 -191.12443 774.49551
2665.0000 -197.16317 -189.53847 7.62470 2.64473 -189.43867 841.56499
2670.0000 -199.43078 -192.14697 7.28381 2.54795 -191.25037 776.97554
2675.0000 -199.96514 -191.06193 8.90321 2.53568 -191.48013 757.66922
2680.0000 -199.39957 -191.41990 7.97967 2.52410 -191.69686 760.70165
2685.0000 -198.17964 -190.90377 7.27587 2.56191 -190.98918 778.65229
2690.0000 -197.93557 -189.10486 8.83070 2.58925 -190.47735 788.67293
2695.0000 -199.15506 -190.26075 8.89431 2.65548 -189.23734 818.96798
2700.0000 -198.61332 -189.11263 9.50069 2.62336 -189.83874 795.55117
2705.0000 -198.41651 -190.13330 8.28321 2.64502 -189.43330 829.11739
2710.0000 -199.67611 -191.68391 7.99220 2.59208 -190.42431 805.19610
2715.0000 -198.90552 -190.05682 8.84870 2.61256 -190.04093 821.53621
2720.0000 -198.97985 -189.41642 9.56343 2.61653 -189.96651 810.20186
2725.0000 -196.32124 -187.41447 8.90677 2.71518 -188.11986 864.21456
2730.0000 -196.51886 -186.69973 9.81913 2.74820 -187.50161 897.15806
2735.0000 -200.11534 -190.30581 9.80953 2.66382 -189.08125 855.77181
2740.0000 -199.49647 -192.36004 7.13643 2.56321 -190.96482 779.19233
2745.0000 -199.31003 -191.35938 7.95065 2.56871 -190.86184 790.14046
2750.0000 -199.66165 -191.18643 8.47522 2.55556 -191.10807 783.76912
FREEZING PROCESS: loop number 12 T-loop= 800.00000000000000
main_MD> interactions number 12 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53159 -0.31805 0.89164
force_rgl> df(natom) -2.14295 4.36702 -5.12418
2755.0000 -199.11861 -189.53491 9.58370 2.58834 -190.49441 800.44529
2760.0000 -198.68764 -190.56693 8.12071 2.57991 -190.65219 799.89705
2765.0000 -198.02738 -188.85418 9.17320 2.62925 -189.72849 804.60663
2770.0000 -197.86538 -190.29877 7.56661 2.63976 -189.53162 838.04183
2775.0000 -198.92249 -191.90025 7.02224 2.53764 -191.44349 783.75555
2780.0000 -198.66884 -189.93207 8.73676 2.58751 -190.50992 802.04223
2785.0000 -198.29448 -190.57493 7.71955 2.61541 -189.98761 829.76782
2790.0000 -199.93568 -191.87704 8.05864 2.56509 -190.92954 770.74097
2795.0000 -197.39523 -189.66481 7.73042 2.55850 -191.05302 792.30886
2800.0000 -199.12485 -190.15909 8.96576 2.58349 -190.58503 770.09465
2805.0000 -198.80603 -190.24281 8.56323 2.59070 -190.45014 779.98825
2810.0000 -197.99843 -189.61109 8.38735 2.60902 -190.10711 788.60274
2815.0000 -198.69132 -191.82486 6.86646 2.59397 -190.38885 796.91775
2820.0000 -200.27170 -192.89943 7.37227 2.48225 -192.48042 736.88257
2825.0000 -200.10700 -191.62724 8.47976 2.49233 -192.29165 760.34482
2830.0000 -197.86722 -190.17215 7.69507 2.54202 -191.36145 768.48669
2835.0000 -200.46770 -191.80640 8.66130 2.58531 -190.55113 803.34450
2840.0000 -200.84241 -193.54134 7.30108 2.49512 -192.23955 759.42931
2845.0000 -198.79675 -190.86795 7.92881 2.48776 -192.37728 726.26733
2850.0000 -196.97519 -188.36680 8.60839 2.61804 -189.93829 797.64016
2855.0000 -198.85256 -189.99937 8.85319 2.67992 -188.77979 845.07529
2860.0000 -198.81841 -189.56742 9.25099 2.63745 -189.57491 825.30616
2865.0000 -198.88658 -189.80435 9.08223 2.64662 -189.40324 837.16044
2870.0000 -198.91058 -189.48409 9.42649 2.60755 -190.13462 822.36524
2875.0000 -198.16325 -190.58549 7.57776 2.61676 -189.96225 811.91500
2880.0000 -199.60968 -191.67551 7.93417 2.55423 -191.13293 793.87699
2885.0000 -199.37762 -191.34653 8.03109 2.54174 -191.36668 745.33416
2890.0000 -200.01509 -192.19135 7.82374 2.52365 -191.70543 770.37046
2895.0000 -199.61062 -191.53299 8.07762 2.49060 -192.32406 734.36528
2900.0000 -197.13231 -188.18834 8.94398 2.63518 -189.61736 805.53759
2905.0000 -198.31316 -190.25019 8.06297 2.64679 -189.40016 812.95386
2910.0000 -197.30069 -189.02885 8.27184 2.65675 -189.21355 836.13540
2915.0000 -196.85940 -188.31964 8.53976 2.67576 -188.85776 814.07425
2920.0000 -198.03172 -188.71783 9.31390 2.66833 -188.99693 820.11819
2925.0000 -198.74801 -191.01008 7.73793 2.63070 -189.70125 830.35687
2930.0000 -199.53650 -190.95188 8.58462 2.58782 -190.50400 792.49830
2935.0000 -200.15082 -190.58994 9.56089 2.55111 -191.19134 771.77740
2940.0000 -199.29918 -191.10814 8.19104 2.53451 -191.50213 748.89757
2945.0000 -199.71589 -191.49498 8.22091 2.56331 -190.96293 771.41679
2950.0000 -200.20147 -191.78380 8.41767 2.49077 -192.32096 728.36231
2955.0000 -200.55238 -192.43069 8.12169 2.53854 -191.42653 765.88136
2960.0000 -198.78134 -190.90472 7.87662 2.56709 -190.89213 794.50899
2965.0000 -198.54748 -189.65328 8.89420 2.63298 -189.65870 812.17897
2970.0000 -199.79781 -191.62190 8.17591 2.57369 -190.76852 793.42893
2975.0000 -199.11323 -191.73078 7.38245 2.50867 -191.98576 724.83004
2980.0000 -199.16726 -190.81298 8.35428 2.51029 -191.95556 732.61916
2985.0000 -197.92665 -190.62228 7.30437 2.55283 -191.15916 782.57923
2990.0000 -199.48855 -191.77087 7.71768 2.52398 -191.69912 751.94593
2995.0000 -200.43687 -192.72360 7.71327 2.48124 -192.49923 738.60681
3000.0000 -199.65252 -192.54313 7.10939 2.46773 -192.75220 721.10078
FREEZING PROCESS: loop number 13 T-loop= 775.00000000000000
main_MD> interactions number 13 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63984 2.83419 2.18033
force_rgl> df(natom) -2.24348 -0.21891 -1.47713
3005.0000 -198.82032 -191.00690 7.81342 2.48731 -192.38559 744.70950
3010.0000 -198.50289 -189.82212 8.68077 2.58997 -190.46375 813.35885
3015.0000 -199.88213 -191.39543 8.48670 2.54586 -191.28954 754.19801
3020.0000 -199.90498 -191.53689 8.36810 2.50997 -191.96154 765.67080
3025.0000 -199.75166 -191.75238 7.99929 2.53276 -191.53488 774.41282
3030.0000 -200.10231 -192.73961 7.36269 2.51822 -191.80710 765.58226
3035.0000 -199.24769 -191.29457 7.95312 2.50124 -192.12493 747.50069
3040.0000 -200.52632 -194.29638 6.22994 2.52467 -191.68633 757.85523
3045.0000 -199.18447 -191.68418 7.50029 2.46960 -192.71719 711.80295
3050.0000 -199.82320 -192.94667 6.87653 2.48697 -192.39197 745.97655
3055.0000 -200.33438 -192.76805 7.56632 2.42421 -193.56692 694.47406
3060.0000 -199.97474 -191.40875 8.56599 2.45748 -192.94414 739.11258
3065.0000 -199.86743 -191.13860 8.72883 2.54264 -191.34983 796.73935
3070.0000 -199.48987 -190.48637 9.00350 2.56664 -190.90061 777.89309
3075.0000 -197.88933 -189.56207 8.32727 2.64817 -189.37434 850.43553
3080.0000 -199.02830 -190.98988 8.03842 2.59930 -190.28905 769.15074
3085.0000 -198.58752 -191.04415 7.54337 2.59898 -190.29518 779.11670
3090.0000 -198.98758 -191.66560 7.32198 2.54456 -191.31390 755.51848
3095.0000 -200.12734 -190.37581 9.75153 2.53158 -191.55693 761.81454
3100.0000 -199.35940 -191.40578 7.95361 2.54318 -191.33982 771.53117
3105.0000 -199.24152 -192.73361 6.50791 2.49130 -192.31099 741.85312
3110.0000 -200.69562 -192.45202 8.24360 2.49427 -192.25532 736.05118
3115.0000 -200.98268 -193.00241 7.98027 2.49204 -192.29717 759.70078
3120.0000 -198.61620 -190.53745 8.07875 2.47683 -192.58181 713.41167
3125.0000 -199.06865 -192.13294 6.93570 2.55187 -191.17713 774.62581
3130.0000 -201.24878 -191.47654 9.77225 2.49830 -192.18003 736.26720
3135.0000 -199.14694 -191.28677 7.86017 2.55647 -191.09096 787.00845
3140.0000 -200.46836 -192.55469 7.91367 2.46179 -192.86345 718.26383
3145.0000 -199.63830 -191.14101 8.49729 2.51348 -191.89573 770.68580
3150.0000 -198.17804 -190.64527 7.53277 2.57062 -190.82599 802.03581
3155.0000 -200.20302 -191.43498 8.76804 2.50856 -191.98781 721.00369
3160.0000 -198.71056 -190.49757 8.21299 2.57572 -190.73057 777.21290
3165.0000 -199.12669 -190.48870 8.63798 2.63135 -189.68912 810.32193
3170.0000 -199.31639 -191.84277 7.47362 2.54098 -191.38094 748.10224
3175.0000 -199.28325 -191.30083 7.98241 2.51345 -191.89626 744.06834
3180.0000 -197.90586 -190.62417 7.28169 2.60812 -190.12399 814.34451
3185.0000 -198.46483 -188.65266 9.81217 2.61210 -190.04948 807.97771
3190.0000 -199.64273 -189.62339 10.01934 2.67313 -188.90700 873.77243
3195.0000 -199.39970 -191.76847 7.63123 2.57642 -190.71754 788.06878
3200.0000 -200.53684 -192.60372 7.93313 2.51005 -191.96001 757.52903
3205.0000 -199.76273 -192.36471 7.39802 2.47193 -192.67365 738.52843
3210.0000 -200.04551 -192.15929 7.88622 2.49494 -192.24293 748.97591
3215.0000 -199.19040 -191.56560 7.62480 2.52532 -191.67418 744.67867
3220.0000 -199.76272 -190.47474 9.28798 2.59360 -190.39582 803.34544
3225.0000 -198.09224 -190.02260 8.06964 2.61902 -189.92003 829.03685
3230.0000 -199.59233 -190.95639 8.63594 2.58475 -190.56150 814.99684
3235.0000 -198.51932 -189.63895 8.88038 2.58698 -190.51977 813.46924
3240.0000 -197.49951 -189.20741 8.29210 2.63180 -189.68074 839.08621
3245.0000 -198.76653 -190.54060 8.22592 2.63591 -189.60370 830.12124
3250.0000 -198.18694 -190.00326 8.18368 2.58760 -190.50826 812.52364
FREEZING PROCESS: loop number 14 T-loop= 750.00000000000000
main_MD> interactions number 14 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.45661 2.48835 1.66193
force_rgl> df(natom) 4.20362 -0.61434 2.02578
3255.0000 -200.51908 -193.40616 7.11292 2.50971 -191.96632 757.39900
3260.0000 -199.70429 -191.84447 7.85982 2.45805 -192.93347 724.70236
3265.0000 -198.44270 -190.64156 7.80114 2.46864 -192.73526 699.97563
3270.0000 -198.84731 -191.51786 7.32945 2.59546 -190.36097 826.67512
3275.0000 -199.61750 -191.16313 8.45438 2.51576 -191.85304 761.30102
3280.0000 -199.54773 -191.07272 8.47501 2.56295 -190.96958 772.00757
3285.0000 -200.01775 -192.95007 7.06768 2.51773 -191.81622 746.18504
3290.0000 -199.80795 -191.41021 8.39774 2.50283 -192.09509 737.92704
3295.0000 -197.66437 -190.21809 7.44628 2.56288 -190.97100 781.10311
3300.0000 -199.81235 -191.37768 8.43466 2.57662 -190.71371 808.15561
3305.0000 -201.22186 -193.79966 7.42220 2.43967 -193.27753 704.91599
3310.0000 -200.29024 -192.40785 7.88239 2.46113 -192.87580 717.37874
3315.0000 -200.75666 -192.62301 8.13366 2.48265 -192.47291 729.46196
3320.0000 -198.57476 -189.74446 8.83030 2.56364 -190.95678 774.55837
3325.0000 -198.72331 -190.36678 8.35654 2.63314 -189.65559 823.75711
3330.0000 -198.83193 -192.03783 6.79410 2.54854 -191.23944 744.59652
3335.0000 -199.86257 -192.87195 6.99063 2.49973 -192.15308 745.65446
3340.0000 -197.28376 -189.81878 7.46498 2.54180 -191.36559 732.55362
3345.0000 -198.73796 -190.56559 8.17238 2.58369 -190.58133 796.63632
3350.0000 -199.04249 -191.09183 7.95066 2.58880 -190.48578 800.72272
3355.0000 -198.91892 -189.55809 9.36083 2.58956 -190.47153 800.08981
3360.0000 -199.11938 -190.41035 8.70903 2.62631 -189.78345 839.19440
3365.0000 -200.13579 -192.35934 7.77646 2.52970 -191.59217 754.51516
3370.0000 -200.10324 -191.99819 8.10505 2.51080 -191.94590 764.72302
3375.0000 -200.96683 -193.64815 7.31867 2.44103 -193.25205 721.18645
3380.0000 -199.76512 -190.57163 9.19350 2.52677 -191.64693 763.34393
3385.0000 -198.21719 -190.08891 8.12828 2.62109 -189.88123 815.37120
3390.0000 -198.53026 -190.53570 7.99456 2.59402 -190.38804 785.86623
3395.0000 -200.18445 -191.47172 8.71272 2.57402 -190.76237 783.93354
3400.0000 -200.71052 -192.50626 8.20425 2.49868 -192.17279 727.36029
3405.0000 -198.41224 -190.17415 8.23809 2.47575 -192.60216 708.07530
3410.0000 -198.86961 -189.83448 9.03513 2.60014 -190.27337 804.48620
3415.0000 -198.74011 -189.30161 9.43850 2.63990 -189.52905 816.69524
3420.0000 -199.97264 -191.33387 8.63877 2.54908 -191.22931 784.82071
3425.0000 -200.59239 -193.03997 7.55243 2.51384 -191.88900 754.02500
3430.0000 -199.60997 -192.16137 7.44860 2.53486 -191.49554 755.59075
3435.0000 -198.91206 -190.54388 8.36818 2.52336 -191.71082 768.26670
3440.0000 -198.13946 -189.20986 8.92960 2.60193 -190.23983 813.85161
3445.0000 -200.46058 -192.21797 8.24261 2.53258 -191.53817 778.20477
3450.0000 -200.69263 -193.16328 7.52936 2.49026 -192.33047 744.31928
3455.0000 -198.96729 -192.89481 6.07249 2.45283 -193.03114 704.62777
3460.0000 -199.28163 -192.32902 6.95261 2.50009 -192.14638 738.45539
3465.0000 -198.81997 -190.88891 7.93106 2.48165 -192.49170 749.69157
3470.0000 -200.06435 -192.89137 7.17298 2.50814 -191.99569 746.19627
3475.0000 -200.48465 -193.01648 7.46817 2.45780 -192.93814 715.98238
3480.0000 -202.53965 -195.07311 7.46654 2.37935 -194.40680 674.82250
3485.0000 -200.95984 -193.48802 7.47182 2.38815 -194.24206 667.84066
3490.0000 -200.22324 -192.78465 7.43859 2.47490 -192.61808 732.94493
3495.0000 -199.36502 -190.76621 8.59880 2.56123 -191.00176 772.07751
3500.0000 -199.45312 -190.29660 9.15652 2.54648 -191.27796 773.13458
FREEZING PROCESS: loop number 15 T-loop= 725.00000000000000
main_MD> interactions number 15 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29808 2.75999 1.97185
force_rgl> df(natom) 6.15752 -3.40532 4.64090
3505.0000 -199.58564 -192.06340 7.52224 2.49916 -192.16387 731.53907
3510.0000 -200.63212 -191.58795 9.04417 2.55056 -191.20167 778.97678
3515.0000 -200.53735 -192.57095 7.96640 2.48564 -192.41688 717.90042
3520.0000 -200.98429 -193.54900 7.43529 2.45053 -193.07415 699.24346
3525.0000 -199.92568 -192.70042 7.22526 2.44542 -193.16998 702.95626
3530.0000 -200.46332 -193.10088 7.36244 2.46967 -192.71584 724.32756
3535.0000 -200.08012 -192.43244 7.64768 2.47924 -192.53685 734.20852
3540.0000 -199.90326 -192.10046 7.80280 2.52072 -191.76015 761.43219
3545.0000 -199.98396 -191.78948 8.19448 2.49981 -192.15160 737.62006
3550.0000 -199.04629 -190.75750 8.28880 2.55120 -191.18965 778.41940
3555.0000 -199.89345 -192.26308 7.63037 2.54854 -191.23944 768.76844
3560.0000 -198.86906 -190.43409 8.43497 2.52195 -191.73715 744.36443
3565.0000 -199.13712 -191.09919 8.03792 2.59423 -190.38403 809.83616
3570.0000 -200.50654 -192.23131 8.27523 2.51650 -191.83921 769.97467
3575.0000 -199.60875 -192.37965 7.22910 2.49340 -192.27171 735.09685
3580.0000 -199.94754 -191.35998 8.58755 2.50481 -192.05802 751.28876
3585.0000 -200.28162 -191.33588 8.94575 2.54981 -191.21568 781.49750
3590.0000 -202.33620 -194.31965 8.01655 2.45179 -193.05056 731.45297
3595.0000 -200.34714 -193.38395 6.96319 2.41548 -193.73046 712.73310
3600.0000 -200.52069 -192.31779 8.20291 2.48443 -192.43961 748.96633
3605.0000 -200.43219 -193.11903 7.31316 2.45334 -193.02156 729.60079
3610.0000 -201.10145 -193.49193 7.60952 2.43108 -193.43828 703.85081
3615.0000 -200.11392 -192.93625 7.17767 2.42987 -193.46092 694.72922
3620.0000 -200.34707 -193.09114 7.25593 2.43181 -193.42463 674.51512
3625.0000 -201.67136 -194.29078 7.38058 2.43271 -193.40786 708.86221
3630.0000 -200.13163 -193.02553 7.10610 2.40087 -194.00395 664.14552
3635.0000 -199.42719 -192.21016 7.21703 2.44445 -193.18801 717.52595
3640.0000 -199.89449 -192.20654 7.68795 2.48417 -192.44445 743.44929
3645.0000 -200.52080 -193.91149 6.60932 2.45086 -193.06808 697.22048
3650.0000 -199.83634 -192.34166 7.49468 2.47672 -192.58396 720.91208
3655.0000 -199.48757 -192.06760 7.41998 2.49087 -192.31904 737.47159
3660.0000 -199.74110 -192.67236 7.06874 2.49841 -192.17779 764.75452
3665.0000 -200.15718 -192.99547 7.16171 2.46046 -192.88834 742.92052
3670.0000 -200.13740 -193.18309 6.95431 2.44919 -193.09938 709.03544
3675.0000 -199.61773 -191.03965 8.57808 2.54991 -191.21377 757.17027
3680.0000 -199.50868 -192.43131 7.07737 2.54501 -191.30545 753.79813
3685.0000 -200.39928 -192.52669 7.87259 2.50496 -192.05531 757.41043
3690.0000 -200.71663 -192.90347 7.81316 2.46538 -192.79618 719.34738
3695.0000 -200.25862 -192.24036 8.01827 2.51368 -191.89200 760.75324
3700.0000 -199.33006 -191.51779 7.81227 2.46191 -192.86110 707.11197
3705.0000 -200.31469 -193.46495 6.84975 2.49896 -192.16753 733.65231
3710.0000 -199.50392 -191.78771 7.71621 2.51950 -191.78297 740.77942
3715.0000 -202.12225 -193.82724 8.29501 2.47223 -192.66798 734.19284
3720.0000 -201.58010 -194.88595 6.69415 2.37134 -194.55679 655.80832
3725.0000 -201.34542 -194.00813 7.33729 2.39998 -194.02052 702.34873
3730.0000 -199.59032 -192.35880 7.23152 2.43676 -193.33194 693.65492
3735.0000 -200.01507 -191.03505 8.98002 2.48475 -192.43361 754.74255
3740.0000 -199.90354 -192.84480 7.05874 2.52279 -191.72153 775.66396
3745.0000 -198.68101 -190.11506 8.56595 2.52445 -191.69045 736.65086
3750.0000 -200.91885 -192.81449 8.10437 2.56354 -190.95868 784.11852
FREEZING PROCESS: loop number 16 T-loop= 700.00000000000000
main_MD> interactions number 16 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.18639 2.42045 3.87331
force_rgl> df(natom) 3.10053 0.31822 0.39189
3755.0000 -200.76721 -193.67655 7.09067 2.48656 -192.39971 720.72926
3760.0000 -200.85868 -193.34790 7.51078 2.39029 -194.20198 668.33733
3765.0000 -199.78551 -191.31506 8.47044 2.44229 -193.22842 720.33904
3770.0000 -200.04170 -191.55882 8.48288 2.53836 -191.42999 760.15382
3775.0000 -201.59913 -193.70171 7.89742 2.47635 -192.59078 734.96515
3780.0000 -200.43483 -192.72414 7.71070 2.45223 -193.04237 710.01923
3785.0000 -200.49110 -194.05403 6.43707 2.42726 -193.50987 678.08749
3790.0000 -200.72166 -193.61367 7.10799 2.42514 -193.54954 695.22604
3795.0000 -201.70720 -193.40590 8.30131 2.42900 -193.47723 689.58527
3800.0000 -202.06029 -195.17403 6.88627 2.38301 -194.33816 656.60665
3805.0000 -200.89341 -194.50574 6.38767 2.35372 -194.88652 642.16833
3810.0000 -200.61783 -193.88585 6.73198 2.36721 -194.63402 654.14775
3815.0000 -200.77332 -192.68600 8.08732 2.47139 -192.68368 743.53100
3820.0000 -200.97672 -192.69190 8.28482 2.41845 -193.67487 705.13937
3825.0000 -200.23747 -191.51456 8.72291 2.51679 -191.83386 738.91650
3830.0000 -200.76881 -193.62883 7.13998 2.50935 -191.97312 749.47589
3835.0000 -201.04435 -193.24366 7.80069 2.44234 -193.22756 708.73025
3840.0000 -201.08244 -193.39107 7.69138 2.46266 -192.84710 722.79739
3845.0000 -200.17871 -192.96963 7.20908 2.39812 -194.05536 706.05718
3850.0000 -203.29595 -195.03700 8.25895 2.41754 -193.69176 697.80244
3855.0000 -201.36821 -194.36207 7.00613 2.40801 -193.87023 690.88965
3860.0000 -201.48954 -193.78332 7.70622 2.42671 -193.52023 690.18214
3865.0000 -200.95190 -194.91631 6.03559 2.38084 -194.37880 681.02564
3870.0000 -200.14488 -193.95969 6.18518 2.38987 -194.20986 662.06623
3875.0000 -200.81360 -194.78412 6.02947 2.39761 -194.06490 664.53241
3880.0000 -200.11399 -193.07887 7.03511 2.43442 -193.37587 711.25605
3885.0000 -200.72261 -193.28593 7.43668 2.47509 -192.61437 721.25175
3890.0000 -201.89899 -194.52651 7.37248 2.37350 -194.51631 671.18490
3895.0000 -201.62297 -193.87956 7.74342 2.38008 -194.39312 682.51454
3900.0000 -202.05289 -194.91414 7.13875 2.41017 -193.82980 700.35693
3905.0000 -200.24385 -192.58948 7.65437 2.41087 -193.81677 663.40242
3910.0000 -199.88293 -191.82270 8.06023 2.50239 -192.10331 736.91615
3915.0000 -199.93089 -191.46732 8.46357 2.53683 -191.45865 790.01409
3920.0000 -201.55377 -193.93391 7.61985 2.46303 -192.84026 729.79002
3925.0000 -200.73790 -193.01227 7.72562 2.46726 -192.76110 725.32915
3930.0000 -198.52858 -190.31109 8.21750 2.50333 -192.08572 727.59657
3935.0000 -199.11040 -190.70392 8.40648 2.58511 -190.55471 811.68876
3940.0000 -199.35056 -191.91467 7.43589 2.54370 -191.33002 756.47842
3945.0000 -198.83020 -190.96549 7.86472 2.54352 -191.33346 785.32932
3950.0000 -199.15652 -192.91623 6.24029 2.53111 -191.56566 768.96504
3955.0000 -200.09425 -193.08046 7.01378 2.45285 -193.03078 718.07907
3960.0000 -201.10104 -193.19147 7.90956 2.49558 -192.23084 713.39425
3965.0000 -201.22650 -193.55321 7.67329 2.45057 -193.07344 708.39995
3970.0000 -201.69405 -194.61977 7.07429 2.40976 -193.83745 716.24893
3975.0000 -201.40538 -195.02021 6.38516 2.37491 -194.48993 678.89124
3980.0000 -200.69053 -193.94042 6.75011 2.39473 -194.11882 668.50260
3985.0000 -200.51579 -192.19701 8.31878 2.40859 -193.85939 684.62789
3990.0000 -200.72925 -192.94774 7.78151 2.45042 -193.07626 721.67789
3995.0000 -200.83620 -193.78888 7.04732 2.42867 -193.48355 723.18219
4000.0000 -202.29816 -195.15578 7.14238 2.38402 -194.31933 678.29949
FREEZING PROCESS: loop number 17 T-loop= 675.00000000000000
main_MD> interactions number 17 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19557 -2.32276 -2.99098
force_rgl> df(natom) 2.39677 0.98394 -1.16568
4005.0000 -201.99453 -195.06263 6.93190 2.31940 -195.52915 632.84634
4010.0000 -201.27696 -194.99937 6.27758 2.31350 -195.63947 636.07998
4015.0000 -201.60400 -195.20467 6.39933 2.36416 -194.69107 664.16323
4020.0000 -202.14081 -196.44871 5.69210 2.30735 -195.75476 620.18285
4025.0000 -200.80032 -195.08721 5.71311 2.34796 -194.99437 636.93624
4030.0000 -201.97237 -194.36125 7.61112 2.40717 -193.88605 674.28923
4035.0000 -202.76628 -195.72980 7.03648 2.32287 -195.46407 640.53792
4040.0000 -201.55787 -194.89625 6.66162 2.30217 -195.85162 619.66862
4045.0000 -200.98133 -194.11048 6.87085 2.32946 -195.34079 635.27439
4050.0000 -202.57767 -196.04525 6.53242 2.35906 -194.78659 645.75836
4055.0000 -200.68928 -194.26828 6.42100 2.31646 -195.58412 595.82125
4060.0000 -201.51313 -194.07173 7.44140 2.39536 -194.10698 691.86419
4065.0000 -201.09101 -194.17709 6.91392 2.38482 -194.30436 683.64974
4070.0000 -200.71679 -193.43618 7.28061 2.42625 -193.52883 693.13928
4075.0000 -201.59919 -193.39176 8.20743 2.42348 -193.58056 677.75937
4080.0000 -201.49532 -193.53748 7.95785 2.39518 -194.11044 674.29032
4085.0000 -201.53694 -194.10760 7.42934 2.43908 -193.28867 673.25623
4090.0000 -201.38842 -194.09296 7.29546 2.38678 -194.26769 643.78691
4095.0000 -201.68809 -194.31154 7.37655 2.41244 -193.78723 693.58709
4100.0000 -200.96675 -195.31325 5.65350 2.34812 -194.99141 648.69379
4105.0000 -200.27023 -193.45850 6.81172 2.36859 -194.60830 648.48298
4110.0000 -199.43456 -193.53526 5.89930 2.42706 -193.51352 681.93014
4115.0000 -201.19036 -193.29107 7.89929 2.43696 -193.32828 684.06140
4120.0000 -200.53547 -193.78064 6.75483 2.42714 -193.51212 681.79947
4125.0000 -202.13237 -194.36135 7.77103 2.40037 -194.01327 696.73432
4130.0000 -202.09926 -196.04125 6.05802 2.34205 -195.10513 654.58983
4135.0000 -203.21048 -196.08713 7.12335 2.31763 -195.56222 647.38235
4140.0000 -201.64108 -194.99060 6.65048 2.30959 -195.71277 630.72377
4145.0000 -201.35103 -194.63010 6.72093 2.34541 -195.04208 650.10813
4150.0000 -203.21571 -195.88882 7.32689 2.32001 -195.51769 632.59590
4155.0000 -203.43131 -196.79914 6.63217 2.22620 -197.27394 584.17594
4160.0000 -202.01924 -194.61379 7.40544 2.31798 -195.55570 652.82597
4165.0000 -204.29366 -197.51711 6.77655 2.27334 -196.39131 633.06085
4170.0000 -202.72945 -195.24344 7.48601 2.27186 -196.41898 630.48858
4175.0000 -201.66822 -194.62977 7.03845 2.36044 -194.76071 648.62701
4180.0000 -202.15042 -195.83789 6.31253 2.32983 -195.33376 607.17064
4185.0000 -201.70194 -194.77999 6.92194 2.34908 -194.97348 652.52317
4190.0000 -200.70015 -193.65511 7.04505 2.34785 -194.99642 660.65518
4195.0000 -200.90461 -194.74631 6.15830 2.40222 -193.97860 667.70243
4200.0000 -202.24570 -195.24128 7.00442 2.37526 -194.48338 669.70459
4205.0000 -202.09377 -195.10232 6.99146 2.33272 -195.27968 628.10520
4210.0000 -200.72638 -194.31661 6.40976 2.33640 -195.21090 617.74861
4215.0000 -202.24791 -195.23379 7.01412 2.35473 -194.86762 648.90893
4220.0000 -201.48321 -194.96480 6.51841 2.31982 -195.52129 629.34476
4225.0000 -201.53469 -194.83906 6.69562 2.34531 -195.04403 634.27558
4230.0000 -201.09906 -193.00475 8.09431 2.36372 -194.69931 673.07433
4235.0000 -201.74874 -193.81000 7.93874 2.42520 -193.54835 693.71417
4240.0000 -200.18373 -194.11917 6.06456 2.40478 -193.93070 695.16960
4245.0000 -202.11420 -194.39422 7.71998 2.40674 -193.89410 672.26306
4250.0000 -201.59499 -193.90358 7.69141 2.38109 -194.37425 667.35595
FREEZING PROCESS: loop number 18 T-loop= 650.00000000000000
main_MD> interactions number 18 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02774 1.89438 -1.74060
force_rgl> df(natom) -0.55269 -2.15243 1.78159
4255.0000 -202.48991 -195.34860 7.14130 2.38788 -194.24704 672.99791
4260.0000 -201.45440 -194.52747 6.92693 2.36833 -194.61309 662.77485
4265.0000 -200.77482 -194.71811 6.05670 2.37678 -194.45487 665.37655
4270.0000 -201.84181 -195.16790 6.67391 2.32682 -195.39022 636.23646
4275.0000 -201.80922 -194.35588 7.45334 2.32581 -195.40904 637.00322
4280.0000 -201.28163 -193.69528 7.58634 2.43310 -193.40061 666.07675
4285.0000 -202.97514 -195.36177 7.61338 2.36037 -194.76209 663.98583
4290.0000 -201.83336 -195.65212 6.18124 2.32704 -195.38605 626.34714
4295.0000 -201.87571 -194.58798 7.28773 2.34097 -195.12536 644.97375
4300.0000 -203.46413 -195.67780 7.78632 2.30306 -195.83505 633.86401
4305.0000 -202.02284 -195.23314 6.78970 2.28466 -196.17946 628.92364
4310.0000 -201.39628 -195.06273 6.33355 2.34008 -195.14196 631.25967
4315.0000 -202.22659 -195.26514 6.96145 2.36361 -194.70139 663.19138
4320.0000 -201.63481 -195.52186 6.11295 2.33361 -195.26312 650.37579
4325.0000 -201.38723 -194.95982 6.42742 2.33993 -195.14477 634.81021
4330.0000 -201.89414 -193.99163 7.90251 2.37868 -194.41940 657.98869
4335.0000 -201.75125 -194.36397 7.38728 2.38294 -194.33950 679.87884
4340.0000 -202.36428 -195.65956 6.70471 2.29294 -196.02443 604.50155
4345.0000 -201.71766 -194.05952 7.65814 2.32966 -195.33703 640.20113
4350.0000 -201.28409 -194.10597 7.17812 2.38964 -194.21409 657.06086
4355.0000 -202.11462 -194.98773 7.12689 2.34057 -195.13277 668.27251
4360.0000 -202.11876 -195.09623 7.02253 2.35884 -194.79077 679.08280
4365.0000 -201.78734 -195.36790 6.41944 2.32269 -195.46752 649.93342
4370.0000 -202.55269 -194.86947 7.68322 2.33006 -195.32949 642.05248
4375.0000 -200.30503 -194.09137 6.21367 2.40806 -193.86924 696.79798
4380.0000 -200.62744 -194.40572 6.22172 2.37155 -194.55285 648.03266
4385.0000 -202.55672 -194.49875 8.05797 2.40708 -193.88762 668.70756
4390.0000 -202.99980 -195.98550 7.01430 2.33201 -195.29306 634.22163
4395.0000 -202.41184 -195.16910 7.24274 2.32381 -195.44660 633.71214
4400.0000 -201.72723 -195.57868 6.14855 2.30292 -195.83753 607.22177
4405.0000 -203.29302 -195.95890 7.33412 2.32154 -195.48905 615.08552
4410.0000 -202.17260 -196.79543 5.37717 2.28094 -196.24912 590.63126
4415.0000 -201.40627 -195.13263 6.27364 2.32247 -195.47152 626.04644
4420.0000 -201.61889 -193.48657 8.13232 2.38391 -194.32138 677.67978
4425.0000 -199.85137 -192.22825 7.62312 2.45565 -192.97842 721.59904
4430.0000 -200.28571 -193.57094 6.71477 2.44156 -193.24223 697.89579
4435.0000 -201.09963 -193.32687 7.77277 2.42944 -193.46910 692.22402
4440.0000 -202.52224 -196.20558 6.31666 2.36651 -194.64708 663.02479
4445.0000 -201.91684 -194.11324 7.80360 2.31220 -195.66387 626.00850
4450.0000 -201.47727 -194.57017 6.90710 2.36826 -194.61441 666.78234
4455.0000 -202.91668 -195.91435 7.00232 2.34673 -195.01749 667.38504
4460.0000 -202.48527 -195.71859 6.76668 2.29764 -195.93641 623.36107
4465.0000 -203.10835 -195.97619 7.13216 2.31197 -195.66816 629.47784
4470.0000 -202.70847 -196.90160 5.80687 2.27117 -196.43194 618.56601
4475.0000 -202.28015 -196.09201 6.18814 2.27478 -196.36446 612.67593
4480.0000 -202.52684 -196.31381 6.21303 2.29281 -196.02687 632.58018
4485.0000 -202.58483 -195.84376 6.74107 2.26934 -196.46625 621.83140
4490.0000 -200.89746 -194.21597 6.68148 2.34187 -195.10838 661.35876
4495.0000 -200.56440 -193.04819 7.51621 2.38316 -194.33547 677.97938
4500.0000 -200.39350 -193.65408 6.73942 2.38988 -194.20965 657.47936
FREEZING PROCESS: loop number 19 T-loop= 625.00000000000000
main_MD> interactions number 19 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.18475 -0.68409 0.25516
force_rgl> df(natom) -0.01505 1.04773 -1.68614
4505.0000 -201.65598 -195.35474 6.30124 2.38193 -194.35842 659.11143
4510.0000 -201.89323 -195.43167 6.46156 2.34654 -195.02091 635.80085
4515.0000 -201.67160 -195.53395 6.13765 2.32951 -195.33985 634.75112
4520.0000 -201.99216 -195.96799 6.02417 2.32649 -195.39626 634.38927
4525.0000 -200.68069 -194.67495 6.00574 2.36656 -194.64612 657.50983
4530.0000 -202.52246 -195.89654 6.62592 2.33787 -195.18339 635.57436
4535.0000 -203.37297 -196.37869 6.99429 2.33129 -195.30657 646.37263
4540.0000 -202.35963 -196.10475 6.25488 2.30426 -195.81247 613.05788
4545.0000 -202.37384 -196.05880 6.31503 2.33013 -195.32819 630.13621
4550.0000 -202.37099 -196.94271 5.42828 2.26021 -196.63720 598.42778
4555.0000 -202.77638 -196.88723 5.88915 2.26344 -196.57675 603.50385
4560.0000 -202.01711 -195.89724 6.11987 2.28706 -196.13448 622.58605
4565.0000 -202.55332 -196.85549 5.69782 2.28693 -196.13693 624.08377
4570.0000 -202.73876 -195.75969 6.97907 2.28001 -196.26642 623.17209
4575.0000 -203.96022 -198.18272 5.77750 2.24106 -196.99570 588.01113
4580.0000 -201.90154 -195.79510 6.10644 2.28409 -196.19019 617.73829
4585.0000 -202.78285 -195.65275 7.13010 2.31145 -195.67785 625.33637
4590.0000 -202.91962 -195.98027 6.93935 2.30390 -195.81933 621.25207
4595.0000 -203.22104 -196.78594 6.43510 2.27169 -196.42225 596.01808
4600.0000 -204.15175 -197.58745 6.56430 2.19947 -197.77434 537.95094
4605.0000 -201.89446 -195.65539 6.23906 2.28199 -196.22945 615.71615
4610.0000 -202.48075 -197.31831 5.16244 2.25162 -196.79790 583.42233
4615.0000 -202.54002 -195.48778 7.05224 2.26297 -196.58548 602.54775
4620.0000 -202.37946 -195.54421 6.83525 2.31406 -195.62913 640.17153
4625.0000 -200.53633 -194.33057 6.20576 2.34330 -195.08172 644.69303
4630.0000 -202.54650 -196.21839 6.32811 2.35942 -194.77989 665.88362
4635.0000 -203.14840 -196.86563 6.28277 2.27040 -196.44631 594.76504
4640.0000 -201.50600 -195.07298 6.43302 2.28135 -196.24148 617.30097
4645.0000 -201.41580 -195.07057 6.34524 2.33044 -195.32238 628.86969
4650.0000 -202.19420 -195.43500 6.75919 2.35886 -194.79028 644.73072
4655.0000 -201.64924 -195.14110 6.50814 2.32343 -195.45360 634.09539
4660.0000 -202.31998 -195.79991 6.52008 2.34203 -195.10548 623.61946
4665.0000 -201.28673 -195.21562 6.07112 2.31589 -195.59473 643.21660
4670.0000 -201.44044 -195.69494 5.74549 2.31669 -195.57985 620.08085
4675.0000 -202.25763 -194.92157 7.33606 2.33257 -195.28261 630.46556
4680.0000 -202.01464 -194.60349 7.41115 2.34140 -195.11724 637.06738
4685.0000 -202.01252 -195.84831 6.16421 2.33664 -195.20632 626.00177
4690.0000 -201.18705 -194.54017 6.64687 2.38480 -194.30477 672.32811
4695.0000 -201.35257 -193.57960 7.77296 2.39162 -194.17707 677.70237
4700.0000 -201.46229 -193.96335 7.49894 2.42041 -193.63818 705.45894
4705.0000 -201.65679 -194.40503 7.25177 2.39613 -194.09256 658.87498
4710.0000 -200.95263 -192.57961 8.37301 2.39593 -194.09641 696.38687
4715.0000 -201.47814 -194.25374 7.22439 2.44712 -193.13807 712.37515
4720.0000 -201.22736 -194.86809 6.35927 2.36545 -194.66694 674.18518
4725.0000 -201.21459 -194.81114 6.40345 2.36537 -194.66851 646.74540
4730.0000 -201.19261 -194.64651 6.54610 2.36388 -194.69638 654.81530
4735.0000 -200.06979 -192.96000 7.10979 2.40660 -193.89673 693.98710
4740.0000 -202.37792 -195.74625 6.63167 2.34711 -195.01034 643.34278
4745.0000 -201.98982 -196.31486 5.67497 2.28523 -196.16883 614.69986
4750.0000 -203.37087 -196.62255 6.74832 2.30022 -195.88812 597.33492
FREEZING PROCESS: loop number 20 T-loop= 600.00000000000000
main_MD> interactions number 20 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34273 0.66071 3.53492
force_rgl> df(natom) 1.66468 1.68380 -1.60991
4755.0000 -203.60300 -196.13680 7.46620 2.28716 -196.13255 604.18515
4760.0000 -202.74495 -196.51601 6.22894 2.29501 -195.98562 620.82166
4765.0000 -202.20073 -195.89099 6.30973 2.23884 -197.03724 561.47979
4770.0000 -201.83338 -196.05481 5.77857 2.29409 -196.00295 620.29480
4775.0000 -203.11489 -196.31454 6.80034 2.28042 -196.25878 618.94862
4780.0000 -201.89298 -195.44802 6.44496 2.28102 -196.24758 616.42185
4785.0000 -201.48494 -194.85913 6.62581 2.33750 -195.19022 626.53724
4790.0000 -201.39004 -195.05870 6.33134 2.38217 -194.35393 663.85515
4795.0000 -202.06889 -194.75596 7.31293 2.34320 -195.08356 652.24796
4800.0000 -202.19518 -195.19917 6.99601 2.35741 -194.81748 655.19631
4805.0000 -201.24011 -194.05657 7.18353 2.35516 -194.85964 647.43997
4810.0000 -201.26303 -195.42845 5.83458 2.34539 -195.04249 622.87211
4815.0000 -203.54872 -197.62625 5.92247 2.25267 -196.77833 589.95561
4820.0000 -204.57108 -198.01818 6.55290 2.20083 -197.74875 550.10442
4825.0000 -203.92570 -198.43017 5.49553 2.21003 -197.57649 565.75486
4830.0000 -202.58151 -195.99183 6.58968 2.25926 -196.65498 585.84438
4835.0000 -203.64479 -196.33668 7.30812 2.26785 -196.49422 602.18105
4840.0000 -203.27843 -197.21208 6.06635 2.22372 -197.32023 601.13454
4845.0000 -204.02263 -196.87391 7.14872 2.21377 -197.50647 584.76874
4850.0000 -203.70731 -197.80737 5.89994 2.22067 -197.37742 569.19311
4855.0000 -203.14178 -197.10575 6.03603 2.21062 -197.56552 552.19526
4860.0000 -202.62659 -196.95410 5.67249 2.24244 -196.96979 589.58875
4865.0000 -203.57559 -197.22910 6.34648 2.20984 -197.58014 557.60630
4870.0000 -203.10556 -197.55453 5.55103 2.23934 -197.02786 579.51473
4875.0000 -202.93480 -196.74496 6.18984 2.22210 -197.35070 548.85134
4880.0000 -202.79650 -197.61037 5.18613 2.23847 -197.04407 581.14387
4885.0000 -202.72022 -195.99937 6.72085 2.25406 -196.75230 590.95154
4890.0000 -203.39049 -196.80648 6.58401 2.27751 -196.31328 602.90371
4895.0000 -203.24541 -197.52003 5.72538 2.23311 -197.14454 600.00394
4900.0000 -202.80178 -196.81900 5.98277 2.24885 -196.84981 590.90064
4905.0000 -202.48035 -196.49824 5.98211 2.26329 -196.57959 587.13501
4910.0000 -202.70362 -196.13082 6.57281 2.26950 -196.46328 612.44949
4915.0000 -202.47014 -195.75393 6.71621 2.25739 -196.68993 610.63226
4920.0000 -203.15227 -196.45846 6.69380 2.29568 -195.97316 660.45382
4925.0000 -203.45824 -196.58411 6.87413 2.27014 -196.45123 637.86479
4930.0000 -202.05945 -195.15537 6.90407 2.32153 -195.48927 634.57691
4935.0000 -202.52231 -196.11086 6.41145 2.32515 -195.42141 631.29877
4940.0000 -203.26428 -197.16767 6.09662 2.25932 -196.65374 581.26461
4945.0000 -204.52256 -198.99076 5.53181 2.17230 -198.28289 544.31513
4950.0000 -204.15127 -198.59234 5.55893 2.18996 -197.95225 573.92919
4955.0000 -203.06320 -197.31360 5.74961 2.19827 -197.79670 575.91708
4960.0000 -204.57754 -197.89377 6.68377 2.20580 -197.65571 591.35834
4965.0000 -203.29239 -197.27105 6.02133 2.21035 -197.57051 603.63990
4970.0000 -203.08761 -196.75251 6.33509 2.23266 -197.15284 595.69706
4975.0000 -201.73268 -195.86205 5.87064 2.25429 -196.74791 601.54733
4980.0000 -203.37726 -196.74361 6.63365 2.26722 -196.50584 619.45570
4985.0000 -202.69746 -196.11637 6.58109 2.30381 -195.82085 637.13772
4990.0000 -204.08021 -198.29691 5.78330 2.22527 -197.29118 579.75118
4995.0000 -204.37402 -198.23286 6.14117 2.18946 -197.96161 563.70760
5000.0000 -204.32057 -198.67127 5.64929 2.18235 -198.09469 565.62936
FREEZING PROCESS: loop number 21 T-loop= 575.00000000000000
main_MD> interactions number 21 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.90548 0.82970 -0.41415
force_rgl> df(natom) -0.71653 0.65424 -2.62501
5005.0000 -204.49139 -199.35278 5.13861 2.11920 -199.27692 518.86481
5010.0000 -204.14907 -198.81874 5.33033 2.10987 -199.45164 509.59500
5015.0000 -202.34023 -196.66622 5.67401 2.17780 -198.17995 553.64601
5020.0000 -205.07927 -199.19782 5.88145 2.21396 -197.50301 572.52728
5025.0000 -205.54930 -200.28555 5.26376 2.10306 -199.57911 514.44267
5030.0000 -204.54040 -199.95066 4.58974 2.08730 -199.87419 497.60856
5035.0000 -205.07837 -199.41790 5.66046 2.08801 -199.86093 507.20359
5040.0000 -204.33289 -197.96741 6.36548 2.14832 -198.73182 561.59015
5045.0000 -205.18256 -198.19755 6.98501 2.20242 -197.71898 601.87973
5050.0000 -204.72319 -198.99611 5.72708 2.14261 -198.83875 552.19496
5055.0000 -205.18791 -199.22427 5.96364 2.10667 -199.51155 541.13496
5060.0000 -204.64529 -199.43984 5.20544 2.11063 -199.43746 546.30497
5065.0000 -205.78534 -200.50305 5.28229 2.09144 -199.79666 530.80142
5070.0000 -204.94645 -199.23643 5.71003 2.10121 -199.61382 507.39169
5075.0000 -203.95012 -197.45305 6.49707 2.15852 -198.54094 549.92277
5080.0000 -204.47731 -198.77295 5.70436 2.18142 -198.11210 559.45928
5085.0000 -203.95904 -196.64644 7.31260 2.19352 -197.88558 584.90419
5090.0000 -202.70812 -196.80620 5.90192 2.23141 -197.17634 607.82227
5095.0000 -203.85844 -197.50391 6.35453 2.24069 -197.00267 606.13168
5100.0000 -202.76866 -197.19512 5.57354 2.22055 -197.37964 576.42255
5105.0000 -203.91726 -197.52487 6.39240 2.24214 -196.97539 590.30002
5110.0000 -202.98431 -197.78844 5.19587 2.21616 -197.46174 573.03408
5115.0000 -203.68943 -197.26742 6.42201 2.18656 -198.01595 567.94366
5120.0000 -203.42362 -198.03982 5.38380 2.23490 -197.11091 570.73272
5125.0000 -203.94458 -198.46991 5.47467 2.19982 -197.76770 556.48642
5130.0000 -203.09479 -196.91639 6.17840 2.15196 -198.66372 522.15639
5135.0000 -203.00017 -196.71620 6.28397 2.24417 -196.93737 577.43086
5140.0000 -203.26617 -197.46533 5.80085 2.22927 -197.21642 565.27662
5145.0000 -204.48327 -198.74468 5.73859 2.16634 -198.39453 546.85645
5150.0000 -204.18577 -198.34726 5.83851 2.18797 -197.98951 534.05527
5155.0000 -204.48589 -198.12379 6.36211 2.20134 -197.73924 567.00686
5160.0000 -204.58605 -198.68522 5.90084 2.14512 -198.79176 548.02642
5165.0000 -204.23190 -197.53408 6.69782 2.18709 -198.00606 581.36086
5170.0000 -204.57301 -198.47916 6.09385 2.18046 -198.13017 562.46733
5175.0000 -203.97132 -198.07539 5.89593 2.16891 -198.34645 558.78987
5180.0000 -203.68899 -197.50163 6.18736 2.19335 -197.88892 581.98839
5185.0000 -204.35775 -198.49652 5.86124 2.19739 -197.81313 562.24177
5190.0000 -202.27601 -196.80338 5.47262 2.22257 -197.34186 561.44257
5195.0000 -202.24304 -196.37118 5.87186 2.28112 -196.24568 591.09228
5200.0000 -202.87006 -197.15834 5.71171 2.26072 -196.62759 590.62877
5205.0000 -203.51315 -197.25852 6.25463 2.21880 -197.41233 574.85090
5210.0000 -203.36146 -197.53545 5.82601 2.21707 -197.44476 565.68806
5215.0000 -201.45585 -195.83425 5.62160 2.25903 -196.65929 588.82053
5220.0000 -202.12272 -196.69687 5.42586 2.24832 -196.85972 558.94663
5225.0000 -203.86273 -197.96636 5.89637 2.21245 -197.53129 551.61428
5230.0000 -204.02710 -198.73215 5.29495 2.14483 -198.79719 515.26710
5235.0000 -203.91344 -198.23364 5.67979 2.16672 -198.38737 550.28388
5240.0000 -204.93998 -198.04177 6.89820 2.17851 -198.16656 584.87841
5245.0000 -204.59652 -198.35194 6.24458 2.20808 -197.61299 609.33444
5250.0000 -204.03592 -198.45393 5.58199 2.20855 -197.60421 601.82030
FREEZING PROCESS: loop number 22 T-loop= 550.00000000000000
main_MD> interactions number 22 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.60806 0.09921 4.02761
force_rgl> df(natom) -1.69362 -0.47379 0.94124
5255.0000 -205.20717 -199.12446 6.08271 2.13727 -198.93865 555.07237
5260.0000 -204.22655 -198.51516 5.71139 2.15885 -198.53477 534.89933
5265.0000 -203.81080 -197.81227 5.99853 2.18777 -197.99321 548.26200
5270.0000 -203.64260 -196.83502 6.80758 2.21286 -197.52352 544.75151
5275.0000 -203.95810 -197.59385 6.36425 2.22853 -197.23027 595.11823
5280.0000 -202.69995 -196.46290 6.23705 2.22759 -197.24789 584.55089
5285.0000 -204.55619 -197.25653 7.29966 2.21851 -197.41774 580.09194
5290.0000 -202.65687 -197.37944 5.27743 2.22200 -197.35243 585.95351
5295.0000 -203.46828 -197.45159 6.01669 2.22033 -197.38374 571.89602
5300.0000 -203.10089 -197.29556 5.80532 2.21701 -197.44591 566.39127
5305.0000 -203.07051 -197.55851 5.51200 2.21935 -197.40218 569.89056
5310.0000 -205.18653 -199.31902 5.86751 2.13226 -199.03245 524.54662
5315.0000 -204.56479 -200.48081 4.08397 2.08624 -199.89406 510.65824
5320.0000 -205.30992 -199.03097 6.27896 2.09556 -199.71956 518.82049
5325.0000 -204.09446 -198.44560 5.64886 2.14732 -198.75058 532.32084
5330.0000 -204.42480 -199.01505 5.40975 2.14686 -198.75911 519.81472
5335.0000 -203.29865 -197.48628 5.81237 2.16275 -198.46167 560.61046
5340.0000 -204.47028 -198.34535 6.12493 2.19217 -197.91093 568.31622
5345.0000 -204.49867 -198.63789 5.86078 2.14118 -198.86548 529.05664
5350.0000 -204.49660 -198.79126 5.70534 2.14828 -198.73261 546.46549
5355.0000 -203.67479 -197.54187 6.13293 2.19229 -197.90862 551.46733
5360.0000 -204.31623 -198.01404 6.30218 2.15641 -198.58045 540.91396
5365.0000 -203.78777 -198.30049 5.48728 2.18715 -198.00499 548.27379
5370.0000 -203.22161 -197.69330 5.52831 2.17448 -198.24210 530.38741
5375.0000 -203.15038 -197.84283 5.30755 2.18832 -197.98304 541.01716
5380.0000 -203.80897 -198.43213 5.37684 2.20799 -197.61472 553.55031
5385.0000 -203.89410 -197.25986 6.63424 2.21111 -197.55635 559.78553
5390.0000 -203.92891 -197.89047 6.03844 2.20681 -197.63692 560.60400
5395.0000 -204.24928 -198.44063 5.80864 2.15421 -198.62164 529.61348
5400.0000 -203.63792 -198.63810 4.99982 2.15174 -198.66773 522.64726
5405.0000 -204.73030 -199.00225 5.72805 2.16867 -198.35089 536.69197
5410.0000 -204.14021 -197.93703 6.20318 2.16876 -198.34909 525.77770
5415.0000 -203.39705 -197.60003 5.79702 2.20161 -197.73423 577.96669
5420.0000 -203.34711 -196.33576 7.01134 2.20505 -197.66972 559.34462
5425.0000 -203.78688 -198.03528 5.75160 2.22576 -197.28205 593.94872
5430.0000 -203.96059 -198.29254 5.66805 2.16170 -198.48137 531.22044
5435.0000 -203.91621 -197.31895 6.59726 2.19052 -197.94186 564.15936
5440.0000 -205.02429 -197.81656 7.20773 2.21227 -197.53461 586.52796
5445.0000 -204.54963 -198.56176 5.98787 2.16482 -198.42293 575.12594
5450.0000 -205.05597 -198.79528 6.26069 2.15977 -198.51738 587.50485
5455.0000 -204.29742 -198.61238 5.68504 2.16893 -198.34608 553.41808
5460.0000 -205.33625 -199.26154 6.07471 2.13683 -198.94690 548.67579
5465.0000 -206.03701 -200.62357 5.41345 2.07491 -200.10608 522.03493
5470.0000 -205.54151 -199.94215 5.59936 2.07122 -200.17513 533.99323
5475.0000 -206.73838 -201.13905 5.59933 2.06655 -200.26255 529.66311
5480.0000 -205.78340 -200.19648 5.58691 2.02698 -201.00346 495.39603
5485.0000 -205.08317 -199.43948 5.64370 2.10417 -199.55837 556.01031
5490.0000 -205.94424 -201.10897 4.83528 2.05356 -200.50575 521.39443
5495.0000 -205.73638 -199.93284 5.80354 2.08898 -199.84269 551.81602
5500.0000 -205.84005 -200.10235 5.73770 2.06586 -200.27560 535.43148
FREEZING PROCESS: loop number 23 T-loop= 525.00000000000000
main_MD> interactions number 23 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48844 -2.34819 -1.92852
force_rgl> df(natom) -1.85535 0.93771 0.53316
5505.0000 -206.60351 -201.03163 5.57188 2.04644 -200.63916 517.76761
5510.0000 -206.37412 -201.30209 5.07203 2.03022 -200.94283 493.73522
5515.0000 -207.17170 -201.23898 5.93272 2.01635 -201.20237 492.37567
5520.0000 -206.96420 -201.31416 5.65004 2.05016 -200.56949 520.74198
5525.0000 -205.88972 -200.75759 5.13212 2.00964 -201.32793 484.72941
5530.0000 -206.24271 -200.80902 5.43369 2.03884 -200.78145 497.18427
5535.0000 -205.61470 -200.05189 5.56281 2.06810 -200.23360 526.24443
5540.0000 -206.56762 -200.69972 5.86791 2.06757 -200.24348 535.49807
5545.0000 -206.11198 -201.38426 4.72773 2.02882 -200.96898 500.45925
5550.0000 -206.13832 -200.73431 5.40401 2.03286 -200.89333 500.32147
5555.0000 -205.67421 -199.42496 6.24925 2.07298 -200.14229 533.74698
5560.0000 -205.71374 -201.00058 4.71316 2.04860 -200.59865 515.13447
5565.0000 -205.81959 -200.42856 5.39102 2.03002 -200.94646 502.02684
5570.0000 -205.67494 -199.47194 6.20300 2.06412 -200.30816 532.22600
5575.0000 -205.07747 -199.30207 5.77541 2.10724 -199.50086 560.72224
5580.0000 -205.90018 -200.33392 5.56626 2.09301 -199.76736 551.12559
5585.0000 -205.12676 -200.23103 4.89573 2.03845 -200.78876 487.56697
5590.0000 -206.19874 -200.19322 6.00552 2.05090 -200.55569 509.63403
5595.0000 -206.39312 -200.92791 5.46520 2.05568 -200.46610 531.46109
5600.0000 -205.03789 -199.17176 5.86613 2.06360 -200.31794 538.39242
5605.0000 -204.31684 -197.90329 6.41355 2.15332 -198.63826 592.62165
5610.0000 -206.52408 -199.98147 6.54261 2.12616 -199.14664 587.37007
5615.0000 -206.17893 -201.12805 5.05088 2.04172 -200.72742 520.49392
5620.0000 -206.55128 -200.80741 5.74387 2.02927 -200.96061 511.90634
5625.0000 -206.79222 -201.55187 5.24035 1.99248 -201.64925 487.07544
5630.0000 -206.56491 -201.24952 5.31539 2.00181 -201.47452 492.25660
5635.0000 -205.80793 -200.46670 5.34123 2.03253 -200.89954 519.26158
5640.0000 -205.45266 -199.78350 5.66916 2.09336 -199.76081 553.74792
5645.0000 -206.20697 -200.79126 5.41571 2.10052 -199.62664 545.04641
5650.0000 -205.70473 -200.55720 5.14753 2.05987 -200.38777 519.57672
5655.0000 -205.50617 -199.97650 5.52967 2.05521 -200.47499 506.50084
5660.0000 -205.95502 -200.36182 5.59320 2.07450 -200.11379 510.02352
5665.0000 -206.11760 -200.98305 5.13454 2.05423 -200.49327 494.30724
5670.0000 -205.94709 -200.94435 5.00274 2.03905 -200.77741 519.76094
5675.0000 -205.76635 -201.13240 4.63395 2.03786 -200.79975 532.23765
5680.0000 -206.20124 -199.89555 6.30569 2.06446 -200.30168 550.41251
5685.0000 -206.55080 -200.47707 6.07373 2.05504 -200.47813 541.07578
5690.0000 -206.44917 -200.56698 5.88219 2.03304 -200.89002 520.43345
5695.0000 -206.69767 -201.04690 5.65077 2.04198 -200.72260 540.10797
5700.0000 -205.77894 -200.37340 5.40554 2.02203 -201.09600 525.96489
5705.0000 -205.85231 -200.10284 5.74947 2.06962 -200.20524 559.12857
5710.0000 -205.01990 -199.81305 5.20685 2.09104 -199.80419 572.70732
5715.0000 -206.88412 -201.41552 5.46860 2.03968 -200.76566 537.95198
5720.0000 -206.85313 -201.40807 5.44506 2.02028 -201.12880 520.67501
5725.0000 -206.93765 -201.52436 5.41330 2.02939 -200.95828 538.18297
5730.0000 -205.39002 -199.64503 5.74499 2.03707 -200.81455 543.45955
5735.0000 -206.64229 -200.67834 5.96396 2.08098 -199.99251 583.81835
5740.0000 -206.64251 -201.12407 5.51844 2.01792 -201.17310 519.32823
5745.0000 -206.15311 -199.74214 6.41097 2.04583 -200.65050 538.83335
5750.0000 -205.64434 -200.70192 4.94242 2.07679 -200.07084 566.89544
FREEZING PROCESS: loop number 24 T-loop= 500.00000000000000
main_MD> interactions number 24 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02254 -3.01776 -1.39328
force_rgl> df(natom) 3.80160 3.20467 -0.40944
5755.0000 -207.34126 -201.18439 6.15687 2.00418 -201.43028 509.90572
5760.0000 -206.62075 -202.02810 4.59265 1.96946 -202.08027 483.69352
5765.0000 -206.97910 -201.40155 5.57755 2.01209 -201.28207 511.55112
5770.0000 -205.66510 -200.26209 5.40301 2.04435 -200.67821 537.31868
5775.0000 -207.72384 -203.01887 4.70498 1.98992 -201.69714 499.97736
5780.0000 -207.06137 -201.88539 5.17598 1.95786 -202.29730 473.54072
5785.0000 -206.59816 -200.86896 5.72921 2.00045 -201.49998 505.12905
5790.0000 -206.90145 -201.95872 4.94273 1.98461 -201.79670 488.10719
5795.0000 -205.95178 -200.44464 5.50715 1.99812 -201.54364 509.38054
5800.0000 -207.07296 -200.97132 6.10164 2.04846 -200.60123 540.57420
5805.0000 -206.65971 -201.19886 5.46085 2.01511 -201.22560 519.35478
5810.0000 -206.94513 -200.75401 6.19112 2.03039 -200.93950 529.60581
5815.0000 -207.02586 -201.95081 5.07505 2.01448 -201.23750 521.46129
5820.0000 -206.15696 -201.24004 4.91692 2.01337 -201.25825 519.20355
5825.0000 -207.72009 -201.58735 6.13274 2.00213 -201.46866 503.53451
5830.0000 -206.71913 -201.76062 4.95851 1.97559 -201.96540 494.52954
5835.0000 -207.42938 -202.62950 4.79987 1.95562 -202.33934 476.84716
5840.0000 -206.96412 -201.26858 5.69554 1.94304 -202.57473 462.51107
5845.0000 -207.46820 -202.25686 5.21134 1.98811 -201.73113 497.72329
5850.0000 -207.52700 -202.52668 5.00032 1.96268 -202.20719 486.57753
5855.0000 -207.91214 -202.65478 5.25736 1.95837 -202.28790 475.49242
5860.0000 -206.99602 -202.11547 4.88055 1.95867 -202.28229 477.31856
5865.0000 -206.24137 -201.04398 5.19739 2.03019 -200.94324 525.94181
5870.0000 -207.24611 -202.21616 5.02995 1.98789 -201.73525 495.58848
5875.0000 -207.02629 -202.21525 4.81104 2.00715 -201.37470 511.91792
5880.0000 -206.53948 -201.91349 4.62598 1.99622 -201.57933 504.52871
5885.0000 -207.41862 -202.01329 5.40533 1.98711 -201.74983 493.02149
5890.0000 -207.56186 -202.74193 4.81993 1.96055 -202.24693 475.46638
5895.0000 -208.18433 -203.61124 4.57308 1.91837 -203.03668 440.43975
5900.0000 -207.45192 -202.14770 5.30421 1.91221 -203.15200 442.50908
5905.0000 -207.34226 -201.41876 5.92350 1.98287 -201.82922 494.35007
5910.0000 -206.72900 -201.31731 5.41168 1.99673 -201.56972 504.27050
5915.0000 -206.91949 -201.91063 5.00886 1.99798 -201.54634 501.00631
5920.0000 -206.99959 -202.15780 4.84179 1.95260 -202.39578 476.19770
5925.0000 -206.89611 -200.43429 6.46182 2.00707 -201.37609 518.44390
5930.0000 -205.70494 -200.59629 5.10865 2.04882 -200.59451 540.63246
5935.0000 -206.88466 -201.43331 5.45135 2.04160 -200.72969 529.00822
5940.0000 -207.47388 -202.23311 5.24077 1.95703 -202.31298 464.43331
5945.0000 -205.89810 -201.23127 4.66683 1.98730 -201.74634 471.16954
5950.0000 -205.73111 -199.97209 5.75901 2.04224 -200.71765 528.56210
5955.0000 -205.78773 -200.48269 5.30503 2.04005 -200.75877 522.36635
5960.0000 -206.67560 -201.37942 5.29618 2.02082 -201.11864 510.93498
5965.0000 -205.91038 -200.86780 5.04258 2.04991 -200.57420 534.57825
5970.0000 -206.13088 -200.69970 5.43118 2.01715 -201.18736 511.42456
5975.0000 -207.03631 -201.82732 5.20899 2.00122 -201.48562 505.46107
5980.0000 -207.46661 -202.39190 5.07471 1.93782 -202.67255 459.65402
5985.0000 -207.57365 -201.92242 5.65123 1.97860 -201.90910 493.03329
5990.0000 -206.69861 -201.62478 5.07383 2.00960 -201.32880 515.05500
5995.0000 -207.59943 -201.94492 5.65451 1.98894 -201.71558 492.91689
6000.0000 -206.82753 -201.88031 4.94723 1.95569 -202.33807 475.12644
FREEZING PROCESS: loop number 25 T-loop= 475.00000000000000
main_MD> interactions number 25 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46559 1.83397 0.23419
force_rgl> df(natom) 1.51400 -2.20900 -4.41434
6005.0000 -207.06134 -202.35625 4.70509 1.96831 -202.10169 484.15490
6010.0000 -206.85997 -202.38111 4.47886 1.94993 -202.44592 466.28678
6015.0000 -207.18386 -202.11668 5.06719 1.96071 -202.24409 472.75107
6020.0000 -207.63255 -202.61244 5.02010 1.96356 -202.19059 477.73046
6025.0000 -207.72637 -203.12709 4.59928 1.95162 -202.41413 470.40763
6030.0000 -207.99710 -203.16913 4.82796 1.90786 -203.23339 437.11716
6035.0000 -207.61226 -203.08000 4.53226 1.96708 -202.12472 480.78639
6040.0000 -207.22263 -202.43505 4.78758 1.92640 -202.88643 451.55504
6045.0000 -206.57486 -201.43237 5.14249 1.96431 -202.17664 479.87009
6050.0000 -206.85978 -201.86709 4.99270 2.00931 -201.33428 512.75572
6055.0000 -207.04189 -201.74255 5.29934 1.99097 -201.67761 495.29300
6060.0000 -207.51024 -202.24620 5.26404 1.99564 -201.59017 506.22420
6065.0000 -207.79227 -202.98095 4.81132 1.96820 -202.10383 486.30552
6070.0000 -207.77657 -202.32152 5.45505 1.92138 -202.98027 444.47678
6075.0000 -207.23266 -201.83003 5.40262 1.96092 -202.24019 479.13662
6080.0000 -207.30665 -201.24217 6.06448 1.97866 -201.90795 490.77714
6085.0000 -207.08481 -202.38588 4.69893 1.98664 -201.75866 497.82958
6090.0000 -207.30549 -201.82435 5.48113 1.93620 -202.70286 454.85911
6095.0000 -207.40618 -201.68735 5.71884 1.97318 -202.01052 486.28776
6100.0000 -208.07475 -202.78060 5.29415 1.96391 -202.18409 486.06379
6105.0000 -207.92727 -203.46156 4.46571 1.94761 -202.48926 466.24397
6110.0000 -207.30277 -202.95301 4.34976 1.91133 -203.16837 437.47295
6115.0000 -207.04891 -201.97402 5.07489 1.93730 -202.68222 454.64390
6120.0000 -207.23175 -202.82903 4.40273 1.95941 -202.26843 482.04113
6125.0000 -207.57389 -202.49576 5.07814 1.92301 -202.94973 447.58043
6130.0000 -207.86758 -202.91519 4.95239 1.93235 -202.77493 455.63754
6135.0000 -207.28069 -202.32712 4.95357 1.97003 -202.06964 487.76092
6140.0000 -207.76460 -202.87081 4.89379 1.93299 -202.76302 459.95872
6145.0000 -207.28934 -202.36765 4.92169 1.92474 -202.91750 446.96817
6150.0000 -207.40747 -202.10989 5.29759 1.97543 -201.96844 484.99393
6155.0000 -207.79232 -202.10790 5.68443 1.95557 -202.34021 475.34574
6160.0000 -207.39706 -202.46882 4.92824 1.96029 -202.25192 481.00256
6165.0000 -207.00750 -201.85637 5.15113 1.97431 -201.98944 485.45276
6170.0000 -207.64071 -203.00066 4.64005 1.95206 -202.40604 466.74628
6175.0000 -207.83948 -202.58949 5.24999 1.94425 -202.55212 467.41679
6180.0000 -207.11231 -202.26493 4.84738 1.92017 -203.00302 450.49763
6185.0000 -206.67617 -202.20607 4.47010 1.98541 -201.78172 494.86781
6190.0000 -207.56477 -202.11834 5.44643 1.96311 -202.19917 481.95502
6195.0000 -207.72618 -203.37714 4.34904 1.91484 -203.10266 439.35716
6200.0000 -206.83525 -201.43311 5.40214 1.91531 -203.09393 444.54394
6205.0000 -206.75668 -201.73540 5.02127 2.00042 -201.50069 503.47456
6210.0000 -206.73503 -202.08431 4.65071 1.97188 -202.03483 484.58255
6215.0000 -207.09462 -201.89409 5.20054 1.96791 -202.10915 480.68150
6220.0000 -207.25253 -202.32062 4.93191 1.98333 -201.82064 490.26706
6225.0000 -207.72568 -202.46926 5.25642 1.93598 -202.70692 458.46400
6230.0000 -207.60127 -203.24429 4.35698 1.93983 -202.63498 462.61718
6235.0000 -207.78175 -202.02481 5.75694 1.94182 -202.59764 468.40690
6240.0000 -207.16378 -201.73083 5.43295 1.98016 -201.87982 493.09607
6245.0000 -206.80882 -202.52556 4.28326 1.98034 -201.87656 491.01517
6250.0000 -208.04495 -203.91568 4.12927 1.90758 -203.23875 436.21766
FREEZING PROCESS: loop number 26 T-loop= 450.00000000000000
main_MD> interactions number 26 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00687 -2.19571 -0.30013
force_rgl> df(natom) -0.88217 -0.27067 -0.47140
6255.0000 -207.72531 -203.02406 4.70126 1.91601 -203.08088 442.92924
6260.0000 -208.39249 -203.64823 4.74426 1.88154 -203.72621 419.77880
6265.0000 -207.81428 -203.01624 4.79804 1.90873 -203.21719 433.13506
6270.0000 -207.85805 -203.48020 4.37785 1.92202 -202.96837 447.20418
6275.0000 -208.19716 -203.86932 4.32784 1.89267 -203.51787 420.51803
6280.0000 -207.93755 -202.43069 5.50686 1.91422 -203.11430 444.78745
6285.0000 -207.35891 -201.88311 5.47581 1.94584 -202.52241 468.24298
6290.0000 -208.22375 -203.66420 4.55955 1.92751 -202.86552 445.83766
6295.0000 -207.24619 -203.17953 4.06666 1.91042 -203.18554 443.39733
6300.0000 -207.99266 -203.95267 4.03999 1.91329 -203.13169 440.26677
6305.0000 -207.71918 -202.62565 5.09353 1.91479 -203.10362 439.86266
6310.0000 -207.27744 -202.51490 4.76255 1.92398 -202.93159 448.08326
6315.0000 -207.36095 -203.23142 4.12953 1.94360 -202.56430 463.60202
6320.0000 -208.06270 -202.90648 5.15622 1.90803 -203.23028 431.44182
6325.0000 -207.97461 -203.42882 4.54579 1.92110 -202.98562 448.36186
6330.0000 -207.87033 -203.33907 4.53126 1.89494 -203.47525 424.46673
6335.0000 -207.45557 -202.20477 5.25080 1.91986 -203.00884 444.66065
6340.0000 -206.62767 -201.71061 4.91706 1.96189 -202.22186 473.43207
6345.0000 -207.46607 -202.71845 4.74762 1.97773 -201.92544 491.93764
6350.0000 -208.12068 -203.28374 4.83694 1.89971 -203.38604 429.61410
6355.0000 -206.93708 -201.44368 5.49340 1.99255 -201.64794 495.70568
6360.0000 -206.95130 -202.24014 4.71116 1.97980 -201.88671 489.36170
6365.0000 -207.64319 -203.51534 4.12785 1.94083 -202.61627 464.09505
6370.0000 -206.86339 -201.92991 4.93347 1.95061 -202.43308 455.74387
6375.0000 -206.85940 -202.31070 4.54870 1.97940 -201.89416 482.75036
6380.0000 -207.57739 -201.87091 5.70648 1.97486 -201.97917 483.23596
6385.0000 -207.22488 -202.29798 4.92690 1.96146 -202.23003 480.04873
6390.0000 -207.26904 -202.46850 4.80054 1.94822 -202.47783 469.17968
6395.0000 -207.76332 -202.94064 4.82268 1.95095 -202.42666 465.84415
6400.0000 -207.18873 -202.71918 4.46955 1.94183 -202.59749 462.12455
6405.0000 -207.34934 -202.14783 5.20150 1.95920 -202.27223 473.85389
6410.0000 -206.88779 -202.85398 4.03381 1.96496 -202.16442 476.29551
6415.0000 -207.42294 -203.28035 4.14258 1.93418 -202.74076 454.18022
6420.0000 -207.53903 -203.18722 4.35181 1.89363 -203.49976 424.09107
6425.0000 -207.98204 -202.89037 5.09167 1.90722 -203.24538 434.20084
6430.0000 -207.10392 -202.30064 4.80329 1.94115 -202.61018 460.38183
6435.0000 -208.16062 -203.24997 4.91064 1.92671 -202.88058 450.66337
6440.0000 -207.61661 -203.26805 4.34856 1.91241 -203.14819 434.91466
6445.0000 -207.28796 -202.86359 4.42437 1.91742 -203.05438 441.35222
6450.0000 -206.81797 -201.49968 5.31829 1.95824 -202.29022 471.47244
6455.0000 -207.20324 -202.26532 4.93792 1.96796 -202.10827 473.42520
6460.0000 -207.38747 -202.81066 4.57681 1.95511 -202.34887 475.02042
6465.0000 -206.94979 -202.22875 4.72104 1.91496 -203.10043 436.25474
6470.0000 -207.20945 -203.29442 3.91504 1.95971 -202.26274 479.94188
6475.0000 -207.52517 -203.39219 4.13298 1.88888 -203.58873 420.11603
6480.0000 -207.28045 -202.30970 4.97074 1.94126 -202.60822 460.66600
6485.0000 -207.27772 -202.43001 4.84770 1.93771 -202.67468 463.43615
6490.0000 -207.50147 -201.92792 5.57354 1.97160 -202.04011 488.66729
6495.0000 -207.85759 -203.16104 4.69655 1.93478 -202.72938 453.36007
6500.0000 -207.63144 -202.71006 4.92137 1.93052 -202.80917 452.31333
FREEZING PROCESS: loop number 27 T-loop= 425.00000000000000
main_MD> interactions number 27 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75163 -0.25500 -2.88466
force_rgl> df(natom) 2.05696 -1.30329 1.29716
6505.0000 -207.65561 -203.40712 4.24849 1.90563 -203.27515 433.14420
6510.0000 -207.45993 -203.66600 3.79393 1.89054 -203.55762 422.78331
6515.0000 -208.16463 -204.07715 4.08749 1.87624 -203.82535 410.28742
6520.0000 -207.91927 -204.22914 3.69013 1.87065 -203.92993 403.89906
6525.0000 -208.43886 -204.32553 4.11333 1.85912 -204.14588 399.56542
6530.0000 -208.60472 -203.84079 4.76393 1.86599 -204.01720 404.06143
6535.0000 -208.10040 -203.42498 4.67543 1.89411 -203.49086 424.60743
6540.0000 -208.19271 -204.07233 4.12038 1.86197 -204.09255 396.54551
6545.0000 -208.20451 -204.00007 4.20444 1.87567 -203.83613 406.87698
6550.0000 -208.25458 -204.19835 4.05622 1.90410 -203.30377 430.93437
6555.0000 -207.57804 -203.27568 4.30236 1.89034 -203.56135 419.70604
6560.0000 -208.13381 -203.30148 4.83232 1.88722 -203.61986 421.54191
6565.0000 -208.06654 -203.52495 4.54159 1.87192 -203.90618 410.35295
6570.0000 -207.25565 -202.74851 4.50714 1.90441 -203.29797 431.28971
6575.0000 -208.92504 -204.53056 4.39448 1.89982 -203.38393 431.01425
6580.0000 -207.82893 -203.54212 4.28681 1.84836 -204.34728 388.38290
6585.0000 -207.88667 -203.46293 4.42374 1.88901 -203.58624 419.91415
6590.0000 -207.62627 -203.86920 3.75708 1.89123 -203.54468 419.19427
6595.0000 -207.63975 -203.36383 4.27591 1.89682 -203.44003 422.85637
6600.0000 -207.86461 -203.51827 4.34634 1.91712 -203.06006 442.65466
6605.0000 -208.24171 -204.17165 4.07005 1.89152 -203.53940 421.66981
6610.0000 -206.89799 -202.29050 4.60750 1.90506 -203.28579 431.95030
6615.0000 -208.73981 -204.18945 4.55036 1.90941 -203.20435 435.93023
6620.0000 -208.31267 -204.12349 4.18918 1.86768 -203.98556 402.79667
6625.0000 -208.28677 -203.42255 4.86422 1.89591 -203.45707 427.53793
6630.0000 -207.54708 -203.94698 3.60010 1.89304 -203.51079 423.84865
6635.0000 -207.46173 -203.09254 4.36919 1.89440 -203.48539 425.37099
6640.0000 -207.81388 -203.19929 4.61459 1.91848 -203.03469 445.03689
6645.0000 -208.24439 -203.54601 4.69838 1.88071 -203.74166 416.77543
6650.0000 -208.48186 -204.40418 4.07768 1.84242 -204.45855 386.02564
6655.0000 -207.40533 -204.11679 3.28854 1.85083 -204.30111 389.95277
6660.0000 -207.62412 -202.60102 5.02309 1.89245 -203.52200 424.57947
6665.0000 -207.87280 -202.70307 5.16973 1.93426 -202.73922 457.43394
6670.0000 -207.89713 -203.90163 3.99551 1.89839 -203.41077 422.28851
6675.0000 -208.63223 -204.38589 4.24634 1.88077 -203.74064 412.80265
6680.0000 -207.81850 -203.65128 4.16722 1.89020 -203.56404 419.74387
6685.0000 -207.10453 -202.13457 4.96996 1.93184 -202.78444 451.50237
6690.0000 -207.19619 -203.01494 4.18125 1.95415 -202.36688 472.69543
6695.0000 -207.26167 -203.18532 4.07634 1.91087 -203.17706 441.26766
6700.0000 -207.58611 -202.82204 4.76407 1.92947 -202.82884 454.06012
6705.0000 -207.54470 -201.86684 5.67786 1.91758 -203.05153 443.57024
6710.0000 -207.44472 -202.42696 5.01777 1.95883 -202.27915 476.80081
6715.0000 -207.67166 -203.07845 4.59321 1.93619 -202.70309 457.32269
6720.0000 -208.08036 -202.83684 5.24352 1.91359 -203.12613 443.86520
6725.0000 -208.41119 -204.02171 4.38948 1.90477 -203.29130 432.31483
6730.0000 -207.06760 -202.69062 4.37698 1.90434 -203.29933 430.43422
6735.0000 -207.73560 -202.68820 5.04740 1.92404 -202.93057 447.95662
6740.0000 -206.91106 -202.43993 4.47113 1.93705 -202.68692 459.80714
6745.0000 -208.23789 -203.57968 4.65821 1.90330 -203.31887 432.54651
6750.0000 -208.29268 -203.32447 4.96822 1.89341 -203.50394 424.56903
FREEZING PROCESS: loop number 28 T-loop= 400.00000000000000
main_MD> interactions number 28 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10933 -0.23302 -0.73322
force_rgl> df(natom) -1.41026 -1.56527 0.18511
6755.0000 -208.41221 -204.41657 3.99564 1.88488 -203.66367 419.29347
6760.0000 -207.93795 -203.90963 4.02833 1.85734 -204.17910 393.47016
6765.0000 -207.61430 -203.18372 4.43058 1.89632 -203.44938 424.26790
6770.0000 -208.02057 -203.82386 4.19671 1.89712 -203.43447 426.71775
6775.0000 -208.38991 -204.15557 4.23434 1.87308 -203.88453 406.99714
6780.0000 -207.76057 -204.32696 3.43361 1.84355 -204.43729 383.89180
6785.0000 -208.73513 -205.40869 3.32645 1.82105 -204.85850 366.94144
6790.0000 -208.67008 -204.70142 3.96866 1.82603 -204.76530 374.10153
6795.0000 -208.77882 -204.85103 3.92780 1.82950 -204.70039 373.17289
6800.0000 -207.96034 -204.10337 3.85696 1.83274 -204.63976 370.80382
6805.0000 -207.80157 -203.60023 4.20134 1.89356 -203.50120 422.30966
6810.0000 -208.75138 -203.74641 5.00497 1.89058 -203.55694 431.04045
6815.0000 -208.10918 -203.96939 4.13978 1.88766 -203.61161 418.02474
6820.0000 -208.11136 -203.50984 4.60153 1.88869 -203.59229 422.30807
6825.0000 -208.40378 -204.10567 4.29811 1.87626 -203.82495 413.02175
6830.0000 -208.76657 -204.57393 4.19264 1.85043 -204.30860 389.29512
6835.0000 -208.25444 -203.64578 4.60866 1.85659 -204.19324 394.81814
6840.0000 -208.18787 -204.05335 4.13452 1.88569 -203.64839 416.36699
6845.0000 -208.11147 -203.52244 4.58903 1.87991 -203.75662 413.81368
6850.0000 -208.21987 -203.69493 4.52494 1.85726 -204.18065 393.55221
6855.0000 -208.13259 -204.30585 3.82674 1.84979 -204.32051 388.97592
6860.0000 -208.28368 -204.02368 4.25999 1.84460 -204.41760 385.41460
6865.0000 -207.79580 -203.96222 3.83358 1.87145 -203.91504 404.87251
6870.0000 -207.96738 -203.28275 4.68463 1.90671 -203.25488 436.99161
6875.0000 -207.92299 -203.59236 4.33063 1.86744 -203.99002 401.79873
6880.0000 -207.98528 -203.65842 4.32686 1.86556 -204.02535 401.63566
6885.0000 -208.53533 -203.50798 5.02735 1.89128 -203.54373 421.11622
6890.0000 -208.62402 -204.28001 4.34401 1.87006 -203.94111 406.06560
6895.0000 -207.63753 -203.69127 3.94626 1.85732 -204.17948 395.42752
6900.0000 -207.88279 -203.85627 4.02652 1.88267 -203.70506 415.36328
6905.0000 -208.09725 -203.56100 4.53625 1.89189 -203.53234 423.84343
6910.0000 -208.39652 -203.99352 4.40301 1.85643 -204.19621 392.84501
6915.0000 -208.58290 -203.96421 4.61870 1.85725 -204.18084 396.09659
6920.0000 -208.29614 -203.78109 4.51504 1.87007 -203.94089 405.28700
6925.0000 -208.59779 -204.28527 4.31252 1.87495 -203.84957 412.05930
6930.0000 -208.41822 -204.14316 4.27506 1.87512 -203.84632 410.81060
6935.0000 -207.99035 -203.54114 4.44921 1.87782 -203.79584 408.02517
6940.0000 -207.73865 -202.98292 4.75573 1.89456 -203.48247 427.65348
6945.0000 -207.91026 -202.77224 5.13802 1.93162 -202.78852 457.83397
6950.0000 -207.63465 -203.07497 4.55967 1.94623 -202.51507 463.71196
6955.0000 -207.75161 -203.80683 3.94478 1.92186 -202.97134 447.49552
6960.0000 -208.71497 -204.83872 3.87625 1.86191 -204.09362 397.90002
6965.0000 -209.44358 -205.20675 4.23683 1.82589 -204.76800 369.84576
6970.0000 -208.41110 -204.43836 3.97274 1.81430 -204.98503 355.78273
6975.0000 -208.30446 -204.36114 3.94332 1.82574 -204.77071 367.71876
6980.0000 -208.75083 -204.60434 4.14649 1.82605 -204.76494 373.20394
6985.0000 -208.46723 -204.47348 3.99375 1.84044 -204.49565 381.16497
6990.0000 -207.68328 -202.92360 4.75968 1.86214 -204.08927 396.29027
6995.0000 -208.06737 -203.95443 4.11294 1.93074 -202.80504 454.58476
7000.0000 -208.41017 -204.44800 3.96217 1.87233 -203.89852 402.01977
FREEZING PROCESS: loop number 29 T-loop= 375.00000000000000
main_MD> interactions number 29 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71222 2.15830 0.68456
force_rgl> df(natom) 0.19970 2.80646 1.30333
7005.0000 -208.33418 -204.54461 3.78957 1.86660 -204.00584 402.77726
7010.0000 -208.87403 -204.11696 4.75707 1.87070 -203.92901 405.21209
7015.0000 -209.32351 -205.31469 4.00881 1.81931 -204.89111 365.11426
7020.0000 -208.33908 -204.46904 3.87004 1.82345 -204.81367 365.20883
7025.0000 -208.67219 -205.16443 3.50776 1.81473 -204.97684 360.44110
7030.0000 -208.61214 -204.22615 4.38598 1.83380 -204.61982 373.72281
7035.0000 -208.89564 -204.74160 4.15404 1.83423 -204.61181 377.82210
7040.0000 -208.30729 -204.58860 3.71869 1.83613 -204.57621 379.23114
7045.0000 -208.53920 -204.68411 3.85509 1.83545 -204.58906 375.30039
7050.0000 -208.62621 -205.04939 3.57683 1.82767 -204.73455 370.14288
7055.0000 -208.29473 -204.45663 3.83810 1.84032 -204.49779 381.72252
7060.0000 -209.10448 -205.20484 3.89964 1.80637 -205.13345 350.53163
7065.0000 -207.94944 -204.12312 3.82632 1.80630 -205.13471 353.40741
7070.0000 -207.57041 -202.79804 4.77237 1.88714 -203.62130 418.72782
7075.0000 -208.58428 -203.66922 4.91506 1.90479 -203.29092 432.05381
7080.0000 -208.44075 -204.61966 3.82109 1.84633 -204.38525 384.59440
7085.0000 -209.21749 -205.63446 3.58303 1.79706 -205.30760 344.56198
7090.0000 -208.98308 -205.35975 3.62333 1.78819 -205.47377 339.89590
7095.0000 -208.89649 -205.39785 3.49863 1.81887 -204.89930 362.79044
7100.0000 -209.28813 -205.71449 3.57364 1.79679 -205.31265 345.60572
7105.0000 -208.67461 -204.47776 4.19685 1.82070 -204.86518 364.35149
7110.0000 -208.78654 -204.79746 3.98908 1.82629 -204.76052 368.85941
7115.0000 -209.19167 -205.39217 3.79950 1.79128 -205.41583 342.38501
7120.0000 -208.71114 -205.37944 3.33170 1.80307 -205.19517 351.00357
7125.0000 -209.42536 -206.13522 3.29014 1.76602 -205.88878 319.52634
7130.0000 -208.71103 -205.26502 3.44602 1.77601 -205.70175 326.97349
7135.0000 -208.46635 -204.50967 3.95668 1.82459 -204.79221 366.73434
7140.0000 -208.16876 -204.49857 3.67018 1.85505 -204.22199 396.76759
7145.0000 -208.36925 -204.71034 3.65891 1.82749 -204.73809 368.04091
7150.0000 -207.85063 -204.25514 3.59549 1.84180 -204.47002 382.18001
7155.0000 -208.80394 -205.03380 3.77014 1.84571 -204.39701 383.72807
7160.0000 -209.32483 -205.30144 4.02338 1.81241 -205.02031 361.00724
7165.0000 -207.84844 -203.71671 4.13173 1.87640 -203.82229 409.49414
7170.0000 -208.17077 -204.13268 4.03809 1.86104 -204.11000 400.84114
7175.0000 -209.33438 -205.74813 3.58625 1.81696 -204.93511 362.22806
7180.0000 -208.91241 -205.16099 3.75141 1.80368 -205.18376 352.41122
7185.0000 -208.47074 -204.78776 3.68298 1.83203 -204.65300 373.51073
7190.0000 -208.83037 -205.41779 3.41258 1.82689 -204.74931 368.40034
7195.0000 -208.57399 -205.22172 3.35228 1.81998 -204.87853 365.03840
7200.0000 -208.20811 -204.55932 3.64880 1.80574 -205.14525 354.74916
7205.0000 -208.62046 -204.84579 3.77467 1.81761 -204.92298 365.55416
7210.0000 -208.35378 -204.59862 3.75516 1.82347 -204.81335 366.07965
7215.0000 -208.11261 -204.08351 4.02910 1.85662 -204.19269 392.45246
7220.0000 -207.84626 -203.39009 4.45617 1.87947 -203.76494 411.07642
7225.0000 -208.25533 -204.19920 4.05613 1.87179 -203.90861 410.52847
7230.0000 -208.58659 -204.62129 3.96530 1.84796 -204.35473 387.31536
7235.0000 -208.79034 -204.61360 4.17674 1.82934 -204.70339 372.84932
7240.0000 -208.84582 -205.05740 3.78842 1.82205 -204.83984 365.22614
7245.0000 -208.57553 -204.85952 3.71601 1.81589 -204.95513 359.96064
7250.0000 -208.73840 -204.44766 4.29074 1.83248 -204.64463 374.78254
FREEZING PROCESS: loop number 30 T-loop= 350.00000000000000
main_MD> interactions number 30 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.68709 -3.73426 3.59181
force_rgl> df(natom) 0.94594 -1.55616 1.30424
7255.0000 -208.89072 -205.05450 3.83623 1.81080 -205.05055 358.28376
7260.0000 -208.82969 -205.19381 3.63588 1.80408 -205.17629 352.77088
7265.0000 -209.02043 -205.16037 3.86006 1.79653 -205.31754 346.05836
7270.0000 -209.34133 -205.55226 3.78907 1.80510 -205.15710 351.05926
7275.0000 -208.47423 -205.17669 3.29755 1.79875 -205.27608 343.37963
7280.0000 -209.14528 -205.12539 4.01989 1.79106 -205.41996 339.41464
7285.0000 -208.70816 -205.71774 2.99042 1.79933 -205.26527 347.53210
7290.0000 -208.08520 -204.60680 3.47840 1.80119 -205.23033 346.68843
7295.0000 -208.81261 -205.01632 3.79628 1.82888 -204.71205 372.42644
7300.0000 -208.61186 -204.64728 3.96457 1.81196 -205.02866 355.77003
7305.0000 -208.51914 -204.55744 3.96171 1.84129 -204.47971 381.52307
7310.0000 -208.71322 -204.80714 3.90608 1.83044 -204.68282 375.15180
7315.0000 -208.95924 -205.69741 3.26182 1.80049 -205.24355 349.48171
7320.0000 -208.34781 -204.67389 3.67393 1.80215 -205.21236 350.49016
7325.0000 -208.96142 -204.87081 4.09061 1.81844 -204.90746 363.30430
7330.0000 -209.26200 -205.68501 3.57698 1.80390 -205.17969 348.63809
7335.0000 -208.19742 -204.64415 3.55327 1.80784 -205.10579 352.33960
7340.0000 -208.78593 -205.48032 3.30560 1.80344 -205.18832 355.76039
7345.0000 -208.52994 -204.75882 3.77112 1.79944 -205.26303 346.65903
7350.0000 -209.27336 -205.28812 3.98523 1.79544 -205.33808 344.87902
7355.0000 -208.35366 -204.53048 3.82318 1.80060 -205.24132 347.45306
7360.0000 -209.12493 -205.70542 3.41950 1.80377 -205.18208 351.42848
7365.0000 -208.66080 -205.16134 3.49947 1.77578 -205.70613 327.62679
7370.0000 -208.94254 -205.68273 3.25981 1.79207 -205.40112 343.81310
7375.0000 -209.00707 -205.37352 3.63355 1.77573 -205.70693 327.76524
7380.0000 -209.26977 -205.75526 3.51451 1.78705 -205.49511 337.01056
7385.0000 -209.01126 -205.55323 3.45802 1.79182 -205.40581 340.47173
7390.0000 -209.26030 -206.33232 2.92798 1.76346 -205.93667 316.23744
7395.0000 -208.72113 -205.48579 3.23535 1.77802 -205.66414 330.11844
7400.0000 -209.04687 -205.53507 3.51180 1.79257 -205.39165 342.13406
7405.0000 -209.41256 -206.42040 2.99216 1.74380 -206.30475 298.58554
7410.0000 -209.50285 -206.26218 3.24068 1.75433 -206.10756 312.39154
7415.0000 -209.04420 -206.02740 3.01680 1.76976 -205.81871 320.60388
7420.0000 -209.38193 -206.05582 3.32611 1.77239 -205.76950 330.98872
7425.0000 -208.25466 -204.77724 3.47742 1.79118 -205.41774 341.08834
7430.0000 -208.64334 -205.25610 3.38725 1.82274 -204.82690 363.07416
7435.0000 -209.47012 -205.66045 3.80967 1.79640 -205.32009 346.26652
7440.0000 -208.53351 -204.64208 3.89144 1.79843 -205.28197 351.44987
7445.0000 -209.13312 -204.49751 4.63561 1.83705 -204.55912 379.28777
7450.0000 -208.31276 -204.54127 3.77149 1.84493 -204.41150 385.66643
7455.0000 -208.68399 -205.18543 3.49856 1.82097 -204.86007 364.50434
7460.0000 -209.45899 -205.86553 3.59345 1.79474 -205.35107 342.13440
7465.0000 -209.18683 -205.24239 3.94444 1.78719 -205.49238 340.28798
7470.0000 -209.21025 -205.85754 3.35271 1.79052 -205.43020 338.05097
7475.0000 -208.56425 -205.19186 3.37239 1.76789 -205.85378 320.89234
7480.0000 -208.99790 -204.58788 4.41001 1.81152 -205.03707 359.17226
7485.0000 -209.31934 -205.51583 3.80351 1.81534 -204.96553 361.12946
7490.0000 -208.74603 -205.41955 3.32648 1.77974 -205.63199 332.85812
7495.0000 -208.83829 -205.40367 3.43462 1.77799 -205.66460 330.30248
7500.0000 -208.34941 -204.44880 3.90061 1.80521 -205.15502 353.55720
FREEZING PROCESS: loop number 31 T-loop= 325.00000000000000
main_MD> interactions number 31 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44293 0.95355 0.31486
force_rgl> df(natom) -3.07432 -5.02109 0.23217
7505.0000 -209.42026 -205.69398 3.72628 1.83602 -204.57841 378.56211
7510.0000 -209.16399 -205.79356 3.37043 1.77346 -205.74955 325.58978
7515.0000 -209.30076 -205.81907 3.48168 1.77520 -205.71696 328.07356
7520.0000 -208.94374 -205.77640 3.16733 1.78534 -205.52706 337.39488
7525.0000 -209.82245 -206.32912 3.49333 1.73861 -206.40197 298.75612
7530.0000 -208.97536 -205.48330 3.49206 1.75955 -206.00994 316.52572
7535.0000 -209.42357 -206.36902 3.05455 1.76390 -205.92838 321.30415
7540.0000 -208.77304 -205.41240 3.36065 1.77864 -205.65248 331.04377
7545.0000 -208.89195 -205.08294 3.80900 1.80910 -205.08224 357.06424
7550.0000 -209.39482 -205.52530 3.86951 1.79477 -205.35059 348.47020
7555.0000 -209.14236 -205.59276 3.54960 1.78183 -205.59288 333.23751
7560.0000 -209.11613 -205.26250 3.85363 1.78733 -205.48977 339.08820
7565.0000 -208.68999 -205.13903 3.55096 1.79323 -205.37932 341.83331
7570.0000 -209.28383 -206.30535 2.97849 1.77965 -205.63356 329.98971
7575.0000 -209.32819 -205.71185 3.61634 1.77144 -205.78730 325.61138
7580.0000 -208.95864 -205.29002 3.66863 1.78801 -205.47701 341.27866
7585.0000 -209.29715 -205.86752 3.42963 1.79028 -205.43467 340.32866
7590.0000 -208.92885 -205.55518 3.37367 1.76414 -205.92388 317.09996
7595.0000 -208.69830 -205.37659 3.32171 1.81511 -204.96970 358.65426
7600.0000 -209.01350 -205.34781 3.66569 1.80345 -205.18812 350.82996
7605.0000 -209.46682 -205.66251 3.80431 1.79030 -205.43418 341.62198
7610.0000 -208.87078 -205.86653 3.00425 1.77795 -205.66535 330.16525
7615.0000 -209.60645 -205.91349 3.69296 1.77861 -205.65299 331.66582
7620.0000 -209.24800 -206.10884 3.13916 1.74181 -206.34208 300.41164
7625.0000 -208.76162 -205.63905 3.12258 1.76250 -205.95467 316.80828
7630.0000 -208.88752 -205.35947 3.52805 1.77091 -205.79717 325.74587
7635.0000 -209.17925 -205.24519 3.93406 1.80406 -205.17659 350.60734
7640.0000 -209.31760 -205.60282 3.71478 1.79626 -205.32266 345.38652
7645.0000 -208.95969 -205.33428 3.62541 1.79043 -205.43187 341.70346
7650.0000 -209.07185 -205.79615 3.27570 1.76508 -205.90644 317.42567
7655.0000 -209.14543 -206.09576 3.04967 1.77811 -205.66248 330.86833
7660.0000 -209.80318 -206.55635 3.24682 1.73402 -206.48791 293.06850
7665.0000 -209.28833 -206.26049 3.02785 1.73625 -206.44613 294.94030
7670.0000 -208.70308 -205.69491 3.00818 1.77870 -205.65141 329.67832
7675.0000 -209.46163 -205.99971 3.46191 1.76742 -205.86248 320.90623
7680.0000 -208.53431 -205.21092 3.32339 1.77682 -205.68654 331.58624
7685.0000 -209.44732 -206.13170 3.31562 1.76971 -205.81966 326.32271
7690.0000 -209.45246 -205.96969 3.48278 1.76627 -205.88416 321.28280
7695.0000 -209.61671 -205.97954 3.63717 1.77977 -205.63141 332.13656
7700.0000 -209.31460 -205.76226 3.55234 1.76745 -205.86198 321.61062
7705.0000 -208.77936 -205.19961 3.57975 1.79726 -205.30393 345.16006
7710.0000 -209.30769 -205.69998 3.60771 1.78773 -205.48232 337.10344
7715.0000 -209.06393 -205.45747 3.60646 1.80896 -205.08493 353.56944
7720.0000 -209.15793 -205.56135 3.59658 1.78021 -205.62304 332.06587
7725.0000 -209.63373 -206.12335 3.51038 1.76631 -205.88333 321.11284
7730.0000 -209.42863 -205.91789 3.51074 1.75258 -206.14032 307.35484
7735.0000 -209.20179 -205.69302 3.50877 1.77830 -205.65881 330.17935
7740.0000 -209.29451 -205.49849 3.79602 1.79136 -205.41435 342.67753
7745.0000 -209.84163 -206.11973 3.72190 1.76006 -206.00042 314.14544
7750.0000 -209.73923 -206.84731 2.89192 1.74269 -206.32560 300.27552
FREEZING PROCESS: loop number 32 T-loop= 300.00000000000000
main_MD> interactions number 32 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63411 -0.33502 0.83944
force_rgl> df(natom) 0.58683 -0.60935 -0.96129
7755.0000 -209.99507 -206.50367 3.49141 1.72746 -206.61060 287.44679
7760.0000 -209.70123 -206.84046 2.86078 1.72522 -206.65263 285.87841
7765.0000 -209.32288 -206.32580 2.99708 1.73553 -206.45951 292.62260
7770.0000 -209.78781 -206.04540 3.74241 1.75465 -206.10167 309.21800
7775.0000 -209.58123 -206.59970 2.98153 1.74807 -206.22484 304.29924
7780.0000 -209.33474 -206.54239 2.79235 1.72757 -206.60866 285.82931
7785.0000 -209.17355 -205.96696 3.20658 1.73897 -206.39521 297.23058
7790.0000 -209.58586 -206.07253 3.51333 1.74779 -206.23000 303.14109
7795.0000 -209.73464 -206.57891 3.15573 1.74554 -206.27212 301.91247
7800.0000 -209.19120 -205.38561 3.80559 1.74857 -206.21554 305.65763
7805.0000 -208.69110 -205.29476 3.39634 1.79773 -205.29522 345.53610
7810.0000 -208.99447 -205.27783 3.71663 1.80411 -205.17578 352.86438
7815.0000 -209.57100 -206.07047 3.50053 1.76006 -206.00031 314.46111
7820.0000 -208.82089 -205.87353 2.94736 1.77750 -205.67386 331.87936
7825.0000 -208.90031 -205.56478 3.33553 1.78648 -205.50570 335.73583
7830.0000 -209.55462 -206.21814 3.33649 1.75774 -206.04381 311.27337
7835.0000 -208.81343 -205.37966 3.43378 1.77785 -205.66736 327.55110
7840.0000 -209.50539 -206.07278 3.43260 1.77112 -205.79329 325.25009
7845.0000 -209.29279 -206.06171 3.23108 1.75636 -206.06952 312.51784
7850.0000 -209.40229 -206.49080 2.91149 1.72687 -206.62163 287.75062
7855.0000 -209.60571 -205.54286 4.06285 1.77935 -205.63922 329.85810
7860.0000 -208.83494 -205.95099 2.88395 1.76585 -205.89199 320.43610
7865.0000 -209.31624 -206.19669 3.11954 1.75871 -206.02557 312.46078
7870.0000 -208.85621 -206.12062 2.73560 1.74645 -206.25516 303.25661
7875.0000 -208.97765 -206.03329 2.94436 1.76112 -205.98055 316.48017
7880.0000 -209.50430 -206.39748 3.10682 1.74545 -206.27390 302.37809
7885.0000 -209.86914 -206.66205 3.20709 1.74011 -206.37380 297.45569
7890.0000 -209.53355 -206.74266 2.79089 1.72493 -206.65794 286.28012
7895.0000 -209.52818 -206.34553 3.18264 1.74680 -206.24867 301.53309
7900.0000 -209.53193 -206.68093 2.85100 1.74206 -206.33733 301.77125
7905.0000 -209.12905 -205.59137 3.53768 1.73449 -206.47913 293.89055
7910.0000 -209.20630 -206.07552 3.13078 1.73964 -206.38268 298.78815
7915.0000 -209.69662 -206.99854 2.69808 1.72135 -206.72506 282.15763
7920.0000 -209.53980 -206.65775 2.88205 1.72876 -206.58633 288.62649
7925.0000 -209.18379 -205.56950 3.61429 1.73779 -206.41729 295.09433
7930.0000 -209.40907 -206.68031 2.72876 1.73742 -206.42427 293.60815
7935.0000 -209.04495 -206.12983 2.91512 1.72706 -206.61807 287.75042
7940.0000 -209.41901 -206.20891 3.21010 1.76223 -205.95972 316.81448
7945.0000 -209.14126 -206.07510 3.06616 1.75447 -206.10497 308.03740
7950.0000 -209.17798 -206.37331 2.80466 1.76622 -205.88496 320.26060
7955.0000 -209.99420 -206.85981 3.13438 1.73263 -206.51395 293.19891
7960.0000 -209.27597 -205.92146 3.35451 1.74050 -206.36653 303.24460
7965.0000 -209.61555 -206.37263 3.24292 1.75003 -206.18818 307.06619
7970.0000 -209.46237 -206.36765 3.09472 1.73494 -206.47064 292.45087
7975.0000 -209.66866 -206.63407 3.03459 1.73764 -206.42016 296.95405
7980.0000 -209.98002 -206.90942 3.07060 1.72321 -206.69029 282.62379
7985.0000 -209.50327 -206.45631 3.04696 1.72009 -206.74868 280.67814
7990.0000 -209.33911 -206.37552 2.96359 1.74020 -206.37216 298.95254
7995.0000 -209.67793 -206.81693 2.86101 1.73335 -206.50036 291.45637
8000.0000 -209.43743 -206.47358 2.96385 1.72239 -206.70554 284.15321
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 40.2914508 [s].
main_MD> Deallocating global variables
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