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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_56/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_56.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 = 56 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 56 5600
main_MD> Size of nv and nvoiz: 56 5600
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 = 56
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.9262881361253181E-002 -4.2383091655394320E-002 4.0487454716061477E-003 initial drift of cluster / NP1 for coalescence
init> 0.30646721451176606 0.28510467892171193 0.30293342957592267 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7021459894465971E-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) -1.77893 -4.23960 -2.67756
force_rgl> df(natom) -3.52309 -4.42336 -1.16931
preparo> THERMALIZATION PROCESS AT 1188.9019247486824
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -121.18068898907599 9.5417440748408549 -130.72243306391684 6.4412943378913256E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1164.0000000000000
main_MD> interactions number 1 at Temperature= 1164.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.34561 -0.99046 -1.38356
force_rgl> df(natom) 5.49164 2.60437 1.05555
5.0000 -130.55605 -122.40015 8.15589 2.87058 -123.18266 1122.61830
10.0000 -131.33330 -122.96667 8.36663 2.94436 -122.10277 1185.13695
15.0000 -132.13030 -123.14662 8.98368 2.89900 -122.76663 1112.91454
20.0000 -132.64126 -124.94079 7.70047 2.84699 -123.52799 1081.62132
25.0000 -130.93436 -123.88847 7.04590 2.82060 -123.91418 1094.21873
30.0000 -130.99612 -121.26288 9.73324 2.96864 -121.74733 1183.79806
35.0000 -131.52635 -122.77279 8.75356 2.98666 -121.48364 1188.99791
40.0000 -129.38400 -121.55774 7.82626 2.93922 -122.17799 1108.79667
45.0000 -131.20902 -122.54344 8.66558 2.93539 -122.23407 1183.20539
50.0000 -130.73515 -123.55858 7.17657 2.90008 -122.75089 1140.65117
55.0000 -130.89362 -122.71079 8.18282 2.87657 -123.09494 1099.58987
60.0000 -130.29652 -122.26019 8.03632 2.93457 -122.24601 1155.24193
65.0000 -130.37013 -122.12511 8.24503 2.92011 -122.45769 1140.49353
70.0000 -130.59811 -121.89061 8.70750 2.92321 -122.41239 1180.44658
75.0000 -130.82151 -122.38767 8.43384 2.90622 -122.66097 1103.00464
80.0000 -130.97464 -123.27364 7.70100 2.91427 -122.54318 1154.37715
85.0000 -131.33342 -124.11224 7.22118 2.83891 -123.64619 1116.45762
90.0000 -131.45355 -123.17083 8.28272 2.83303 -123.73228 1068.41085
95.0000 -131.37620 -122.46009 8.91611 2.93752 -122.20282 1167.99879
100.0000 -130.57408 -122.97055 7.60353 2.85834 -123.36178 1118.19321
105.0000 -131.25026 -122.77802 8.47224 2.88719 -122.93959 1107.13685
110.0000 -131.23093 -123.78573 7.44520 2.83187 -123.74933 1095.14804
115.0000 -130.06218 -121.78479 8.27739 2.88294 -123.00170 1129.51938
120.0000 -130.26409 -120.11513 10.14896 2.96253 -121.83676 1163.60643
125.0000 -128.47898 -119.09202 9.38696 3.10805 -119.70685 1291.28468
130.0000 -131.78837 -122.19824 9.59013 3.03482 -120.77864 1175.30361
135.0000 -129.15796 -118.45217 10.70579 2.94144 -122.14552 1169.09141
140.0000 -129.00286 -120.41642 8.58644 3.14622 -119.14813 1353.31720
145.0000 -130.28003 -122.19522 8.08481 2.96270 -121.83424 1183.86195
150.0000 -131.11229 -123.31843 7.79386 2.89970 -122.75648 1125.75701
155.0000 -129.65709 -122.64977 7.00732 2.82676 -123.82402 1097.79531
160.0000 -128.94232 -120.73980 8.20252 2.97326 -121.67966 1185.54512
165.0000 -128.82826 -117.86787 10.96038 3.08680 -120.01775 1306.98503
170.0000 -127.49656 -119.09149 8.40508 3.22142 -118.04739 1358.72051
175.0000 -129.47051 -122.11841 7.35210 3.04611 -120.61337 1227.96045
180.0000 -130.06789 -122.11254 7.95534 2.99657 -121.33855 1181.06434
185.0000 -130.73156 -122.93564 7.79592 2.94812 -122.04765 1182.59551
190.0000 -132.18007 -123.22116 8.95891 2.86032 -123.33281 1131.81092
195.0000 -131.07299 -123.30356 7.76943 2.87931 -123.05493 1160.00577
200.0000 -131.60204 -124.55170 7.05035 2.84364 -123.57699 1051.11100
205.0000 -129.26290 -120.36705 8.89585 2.92692 -122.35809 1143.32726
210.0000 -129.70604 -121.61527 8.09078 3.01164 -121.11789 1235.29829
215.0000 -127.99294 -120.56997 7.42297 3.01579 -121.05725 1228.37933
220.0000 -130.82974 -122.65435 8.17539 2.94561 -122.08441 1171.48931
225.0000 -130.76519 -121.35855 9.40664 2.94448 -122.10098 1182.73855
230.0000 -130.68147 -123.38643 7.29504 2.94581 -122.08158 1186.51527
235.0000 -132.27060 -123.32468 8.94591 2.82338 -123.87360 1086.21844
240.0000 -132.54553 -123.66857 8.87696 2.86854 -123.21252 1106.19916
245.0000 -131.32672 -123.37627 7.95045 2.89351 -122.84701 1126.27311
250.0000 -129.27050 -121.01533 8.25518 2.98154 -121.55851 1165.63447
FREEZING PROCESS: loop number 2 T-loop= 1139.0000000000000
main_MD> interactions number 2 at Temperature= 1139.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.10311 -4.71851 -2.06614
force_rgl> df(natom) 7.93318 0.92515 4.69567
255.0000 -128.30392 -120.50532 7.79860 3.03138 -120.82894 1173.54102
260.0000 -128.62128 -118.83516 9.78611 3.07507 -120.18946 1281.09228
265.0000 -130.65229 -120.74363 9.90865 3.02458 -120.92859 1252.94715
270.0000 -133.55363 -125.31546 8.23817 2.87790 -123.07559 1173.57529
275.0000 -131.36949 -124.05372 7.31577 2.79332 -124.31358 1051.00305
280.0000 -130.41510 -122.51812 7.89698 2.85154 -123.46138 1075.25580
285.0000 -132.59411 -124.89192 7.70219 2.84418 -123.56907 1099.48969
290.0000 -130.78123 -123.10671 7.67452 2.83157 -123.75374 1105.02372
295.0000 -131.81245 -123.86802 7.94443 2.92359 -122.40676 1151.97006
300.0000 -133.07666 -124.09529 8.98137 2.73618 -125.14987 1041.29882
305.0000 -130.35436 -120.66746 9.68690 2.83834 -123.65456 1111.69081
310.0000 -129.22096 -121.72135 7.49961 3.07586 -120.17791 1288.43600
315.0000 -131.62702 -123.46719 8.15983 2.93016 -122.31059 1129.06679
320.0000 -130.39452 -121.66405 8.73047 2.90602 -122.66401 1148.94799
325.0000 -131.30215 -122.17665 9.12550 3.05752 -120.44643 1235.20829
330.0000 -131.02804 -121.92581 9.10223 2.92658 -122.36304 1199.25815
335.0000 -129.49123 -122.03479 7.45644 2.94547 -122.08652 1210.72950
340.0000 -131.46553 -123.60223 7.86330 2.90466 -122.68389 1150.31531
345.0000 -130.74517 -123.84813 6.89704 2.90388 -122.69529 1169.60942
350.0000 -130.98390 -121.89785 9.08605 2.88046 -123.03813 1174.08111
355.0000 -131.51597 -123.70811 7.80786 2.87124 -123.17297 1126.14006
360.0000 -132.26294 -124.88813 7.37482 2.81843 -123.94594 1031.51367
365.0000 -132.54182 -124.76364 7.77818 2.78770 -124.39574 1048.54254
370.0000 -130.74820 -122.51417 8.23403 2.81428 -124.00669 1082.76469
375.0000 -131.04984 -120.84533 10.20451 2.94827 -122.04545 1195.15900
380.0000 -132.52943 -123.30694 9.22248 2.90678 -122.65286 1154.37643
385.0000 -130.34807 -122.01586 8.33221 2.97557 -121.64594 1177.21274
390.0000 -131.70289 -121.65618 10.04671 2.97595 -121.64038 1173.32117
395.0000 -132.13889 -123.98922 8.14967 2.84411 -123.57009 1078.80469
400.0000 -131.69340 -123.40808 8.28532 2.82222 -123.89048 1063.18278
405.0000 -131.95771 -124.17716 7.78055 2.83242 -123.74122 1057.33411
410.0000 -129.24044 -121.37798 7.86246 2.89553 -122.81755 1122.12535
415.0000 -130.72484 -123.18751 7.53733 2.97846 -121.60366 1202.43911
420.0000 -130.89581 -123.38374 7.51206 2.81767 -123.95708 1043.86454
425.0000 -131.54606 -124.15612 7.38994 2.79958 -124.22187 1076.59957
430.0000 -132.34073 -123.84368 8.49706 2.82157 -123.89998 1069.93018
435.0000 -132.33231 -126.12201 6.21030 2.80261 -124.17759 1066.37042
440.0000 -131.06325 -122.70151 8.36174 2.75273 -124.90768 1034.57009
445.0000 -133.19104 -124.35157 8.83947 2.85139 -123.46353 1134.72618
450.0000 -132.44415 -123.93513 8.50902 2.73907 -125.10758 1043.12852
455.0000 -130.01432 -122.88757 7.12676 2.93045 -122.30633 1219.64466
460.0000 -132.02025 -124.79069 7.22956 2.81999 -123.92321 1036.35086
465.0000 -132.78499 -124.83175 7.95323 2.79347 -124.31129 1049.75848
470.0000 -132.58400 -124.69335 7.89065 2.79087 -124.34947 1065.94270
475.0000 -131.24529 -123.33113 7.91416 2.81500 -123.99615 1050.02271
480.0000 -131.32618 -124.25242 7.07375 2.77868 -124.52789 1017.73710
485.0000 -131.05831 -122.30747 8.75084 2.89610 -122.80908 1140.43121
490.0000 -131.88983 -123.51948 8.37035 2.89227 -122.86519 1144.52611
495.0000 -130.38221 -122.78695 7.59526 2.87043 -123.18491 1098.45742
500.0000 -130.17158 -121.08653 9.08505 2.91064 -122.59629 1138.04417
FREEZING PROCESS: loop number 3 T-loop= 1114.0000000000000
main_MD> interactions number 3 at Temperature= 1114.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85862 -1.26031 -0.40638
force_rgl> df(natom) 0.01071 -0.09570 0.45199
505.0000 -130.03347 -123.30701 6.72646 2.96632 -121.78125 1184.10041
510.0000 -130.97070 -123.01687 7.95383 2.92732 -122.35213 1182.69877
515.0000 -130.20828 -122.78329 7.42499 2.91633 -122.51296 1123.88434
520.0000 -131.46427 -122.75528 8.70899 2.92629 -122.36729 1136.22336
525.0000 -132.26891 -122.20124 10.06766 2.98847 -121.45708 1208.73747
530.0000 -130.24122 -124.50541 5.73581 2.87364 -123.13792 1142.13417
535.0000 -130.16208 -123.63547 6.52661 2.76148 -124.77965 1050.33896
540.0000 -131.39371 -121.92801 9.46570 2.84609 -123.54114 1101.35471
545.0000 -131.74666 -121.93118 9.81548 2.95542 -121.94087 1158.95146
550.0000 -130.48013 -122.86773 7.61240 2.90575 -122.66785 1088.10423
555.0000 -130.52104 -121.52230 8.99874 2.93452 -122.24673 1128.05338
560.0000 -130.88800 -121.78836 9.09964 2.96136 -121.85390 1153.96269
565.0000 -129.31591 -120.33462 8.98129 3.02314 -120.94957 1220.65947
570.0000 -129.95365 -121.12713 8.82652 3.01630 -121.04978 1241.16728
575.0000 -131.14509 -122.84040 8.30469 2.95787 -121.90505 1197.68555
580.0000 -132.24161 -123.71325 8.52836 2.81216 -124.03785 1069.33169
585.0000 -132.11653 -124.58273 7.53380 2.84505 -123.55642 1115.24396
590.0000 -129.71172 -122.11188 7.59985 2.80190 -124.18794 1039.29596
595.0000 -132.81153 -123.83693 8.97460 2.90954 -122.61248 1157.73655
600.0000 -130.83300 -121.87872 8.95428 2.89758 -122.78747 1107.79068
605.0000 -131.57508 -122.24855 9.32654 2.96941 -121.73609 1163.04206
610.0000 -131.67222 -123.64014 8.03208 2.87664 -123.09392 1133.83133
615.0000 -132.36841 -124.66744 7.70096 2.82255 -123.88576 1078.30027
620.0000 -131.14747 -123.63356 7.51391 2.85559 -123.40206 1108.11817
625.0000 -131.00166 -122.99970 8.00196 2.87066 -123.18148 1097.95741
630.0000 -131.28557 -123.60786 7.67771 2.85808 -123.36559 1101.02487
635.0000 -132.60520 -124.64579 7.95941 2.75913 -124.81407 1035.36108
640.0000 -135.13780 -126.21074 8.92707 2.71521 -125.45690 1010.53371
645.0000 -132.79090 -123.87091 8.91999 2.74570 -125.01061 1055.32433
650.0000 -132.39212 -123.56771 8.82440 2.81778 -123.95556 1113.97666
655.0000 -130.91621 -123.69436 7.22186 2.86698 -123.23543 1116.00828
660.0000 -132.16636 -124.35328 7.81308 2.78990 -124.36367 1026.56998
665.0000 -131.89424 -124.12390 7.77035 2.76848 -124.67708 1027.78464
670.0000 -132.77294 -125.56351 7.20943 2.80754 -124.10534 1108.19903
675.0000 -133.12152 -125.01055 8.11097 2.76878 -124.67272 1089.53762
680.0000 -132.50001 -125.54178 6.95823 2.77182 -124.62822 1046.48669
685.0000 -131.84767 -124.78595 7.06172 2.76155 -124.77860 1043.20428
690.0000 -132.73501 -125.84128 6.89373 2.75797 -124.83103 1027.81180
695.0000 -131.86312 -122.85096 9.01216 2.69195 -125.79735 971.38119
700.0000 -130.64176 -122.60891 8.03284 2.92340 -122.40956 1167.41907
705.0000 -132.85602 -123.71802 9.13800 2.85720 -123.37858 1117.95112
710.0000 -131.64574 -123.98105 7.66469 2.78476 -124.43892 1053.08998
715.0000 -131.34813 -124.75024 6.59789 2.80006 -124.21495 1039.43963
720.0000 -132.65260 -125.83783 6.81477 2.73812 -125.12146 1020.85278
725.0000 -130.01229 -122.01406 7.99823 2.82197 -123.89419 1071.91486
730.0000 -131.00160 -122.69726 8.30434 2.92772 -122.34635 1177.94599
735.0000 -129.50270 -122.67130 6.83139 2.93684 -122.21284 1180.95170
740.0000 -130.98651 -123.03527 7.95124 2.92369 -122.40524 1135.19698
745.0000 -129.14024 -120.92221 8.21803 2.92265 -122.42055 1143.84974
750.0000 -130.59447 -122.48500 8.10947 2.94777 -122.05281 1150.91616
FREEZING PROCESS: loop number 4 T-loop= 1089.0000000000000
main_MD> interactions number 4 at Temperature= 1089.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.12855 0.57147 -1.74723
force_rgl> df(natom) -1.19247 -0.09177 -1.51990
755.0000 -131.87263 -123.45188 8.42075 2.87844 -123.06769 1115.52580
760.0000 -131.28299 -123.92632 7.35667 2.84740 -123.52192 1036.44139
765.0000 -131.28132 -122.70585 8.57547 2.90257 -122.71450 1126.78091
770.0000 -131.32432 -121.85029 9.47403 2.95647 -121.92550 1175.44858
775.0000 -130.59513 -122.83888 7.75625 2.94267 -122.12742 1200.09047
780.0000 -132.35518 -124.89876 7.45642 2.78879 -124.37983 1065.48657
785.0000 -131.34944 -124.13147 7.21797 2.77366 -124.60126 1002.38988
790.0000 -134.13418 -124.77527 9.35891 2.75955 -124.80791 975.58767
795.0000 -131.84257 -122.89612 8.94646 2.79784 -124.24740 1089.06493
800.0000 -131.78123 -125.56068 6.22055 2.83155 -123.75399 1081.79889
805.0000 -133.36132 -124.93037 8.43095 2.74748 -124.98452 1067.79710
810.0000 -131.58995 -123.31610 8.27384 2.84064 -123.62094 1103.86125
815.0000 -131.29665 -123.81964 7.47701 2.80923 -124.08073 1088.07402
820.0000 -132.70100 -125.19622 7.50478 2.75117 -124.93051 1016.44584
825.0000 -132.44250 -124.29364 8.14886 2.78806 -124.39054 1054.57475
830.0000 -131.11632 -124.18906 6.92725 2.84529 -123.55291 1086.05829
835.0000 -129.78941 -122.77617 7.01324 2.86972 -123.19520 1136.06484
840.0000 -131.51216 -123.28855 8.22362 2.87246 -123.15510 1094.05540
845.0000 -131.11743 -122.75154 8.36589 2.87901 -123.05933 1052.59024
850.0000 -129.67366 -122.98028 6.69338 2.90070 -122.74182 1100.87467
855.0000 -133.76146 -126.20780 7.55365 2.79648 -124.26726 1033.14857
860.0000 -132.24024 -125.02252 7.21771 2.66144 -126.24391 985.51205
865.0000 -132.52521 -125.42323 7.10198 2.74168 -125.06945 998.56289
870.0000 -131.14863 -123.95391 7.19472 2.75235 -124.91326 1043.33705
875.0000 -131.92962 -122.05325 9.87638 2.83579 -123.69194 1122.94143
880.0000 -130.66755 -123.38165 7.28590 2.88959 -122.90438 1122.20964
885.0000 -130.77021 -123.01585 7.75436 2.85777 -123.37011 1129.11636
890.0000 -130.37677 -121.80607 8.57070 2.85714 -123.37936 1094.63674
895.0000 -129.93993 -121.39449 8.54544 2.97634 -121.63460 1189.78012
900.0000 -131.87344 -123.94609 7.92735 2.85769 -123.37135 1087.83293
905.0000 -133.36620 -127.01899 6.34720 2.70017 -125.67700 978.44702
910.0000 -133.46620 -124.52650 8.93970 2.64063 -126.54844 944.83071
915.0000 -132.38717 -122.25144 10.13573 2.87742 -123.08257 1128.86317
920.0000 -130.72989 -122.91376 7.81613 2.84318 -123.58369 1123.09709
925.0000 -129.37482 -121.33317 8.04165 2.90030 -122.74760 1148.16702
930.0000 -131.61297 -122.34328 9.26969 2.97645 -121.63309 1150.35909
935.0000 -132.33458 -125.77545 6.55913 2.77711 -124.55084 1045.92481
940.0000 -131.57523 -122.40948 9.16575 2.84568 -123.54712 1106.11241
945.0000 -129.24452 -121.98132 7.26320 2.92493 -122.38719 1151.31328
950.0000 -132.41467 -122.76517 9.64950 2.89616 -122.80826 1132.73345
955.0000 -131.82298 -123.94170 7.88127 2.86235 -123.30316 1140.13842
960.0000 -133.34216 -124.79142 8.55074 2.81847 -123.94539 1096.20733
965.0000 -132.31613 -123.30240 9.01373 2.78042 -124.50235 1061.90218
970.0000 -131.26954 -121.67110 9.59844 2.88921 -122.91001 1125.48427
975.0000 -130.89487 -121.90848 8.98639 2.99262 -121.39634 1209.76672
980.0000 -130.60792 -120.77165 9.83627 2.93439 -122.24874 1153.22416
985.0000 -130.77794 -123.79565 6.98229 2.92930 -122.32312 1175.47099
990.0000 -132.23566 -123.08750 9.14816 2.87358 -123.13880 1133.40266
995.0000 -130.91595 -123.43825 7.47770 2.90129 -122.73316 1139.78412
1000.0000 -131.15942 -123.08047 8.07894 2.85350 -123.43270 1100.66256
FREEZING PROCESS: loop number 5 T-loop= 1064.0000000000000
main_MD> interactions number 5 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99789 -0.95478 1.44045
force_rgl> df(natom) -0.45159 -0.65397 -1.33355
1005.0000 -132.48295 -124.08379 8.39915 2.78596 -124.42122 1067.24566
1010.0000 -132.81064 -123.32852 9.48211 2.87116 -123.17415 1162.93703
1015.0000 -131.88728 -124.52794 7.35934 2.82594 -123.83613 1101.36587
1020.0000 -132.45969 -125.71488 6.74481 2.78956 -124.36853 1047.44838
1025.0000 -131.66917 -124.27351 7.39565 2.78668 -124.41080 1017.57353
1030.0000 -133.70127 -125.88534 7.81594 2.76901 -124.66942 1038.99190
1035.0000 -132.38865 -123.65238 8.73627 2.74151 -125.07191 1053.78592
1040.0000 -131.17087 -123.05841 8.11246 2.93186 -122.28565 1141.53172
1045.0000 -131.75523 -124.30506 7.45017 2.83702 -123.67385 1103.97321
1050.0000 -133.74912 -125.80623 7.94289 2.71412 -125.47280 1004.53282
1055.0000 -132.82786 -125.38191 7.44595 2.71271 -125.49353 1004.17254
1060.0000 -131.55413 -125.19388 6.36025 2.78483 -124.43777 1064.80831
1065.0000 -132.76591 -125.60717 7.15874 2.69772 -125.71286 954.63267
1070.0000 -132.33011 -125.91808 6.41203 2.66703 -126.16215 975.31360
1075.0000 -132.66938 -126.29342 6.37596 2.67877 -125.99021 992.34819
1080.0000 -133.68773 -126.31115 7.37657 2.69980 -125.68246 1014.93118
1085.0000 -131.40372 -124.16159 7.24214 2.75094 -124.93391 1040.96583
1090.0000 -132.24423 -124.57256 7.67167 2.74782 -124.97950 1030.49347
1095.0000 -130.97743 -123.44587 7.53156 2.80396 -124.15774 1086.92389
1100.0000 -132.17095 -125.23463 6.93632 2.74761 -124.98265 1004.93456
1105.0000 -133.09270 -126.45394 6.63877 2.74355 -125.04205 1026.43543
1110.0000 -131.94652 -123.73325 8.21326 2.82101 -123.90827 1077.19159
1115.0000 -132.48078 -125.13873 7.34205 2.71271 -125.49353 1004.60628
1120.0000 -131.28189 -124.61840 6.66349 2.70035 -125.67444 989.85369
1125.0000 -131.48562 -124.14039 7.34523 2.78302 -124.46436 1032.30386
1130.0000 -130.57268 -121.49754 9.07514 2.86270 -123.29808 1095.31738
1135.0000 -130.25052 -121.49077 8.75975 2.97869 -121.60020 1183.45769
1140.0000 -129.65595 -118.91851 10.73744 3.07084 -120.25141 1260.13423
1145.0000 -130.48084 -121.64456 8.83629 3.02362 -120.94256 1227.96568
1150.0000 -128.67787 -119.60697 9.07090 2.99332 -121.38614 1215.74857
1155.0000 -131.38377 -123.69217 7.69161 2.96582 -121.78860 1195.07233
1160.0000 -131.29553 -123.12608 8.16945 2.88763 -122.93317 1108.59884
1165.0000 -130.96928 -123.27667 7.69261 2.85029 -123.47963 1098.26043
1170.0000 -132.04241 -125.34166 6.70075 2.74463 -125.02619 1016.72299
1175.0000 -133.60522 -125.45324 8.15199 2.70817 -125.55987 980.14617
1180.0000 -128.27001 -121.41495 6.85506 2.88671 -122.94654 1137.85667
1185.0000 -129.66594 -121.63182 8.03411 2.95103 -122.00517 1203.15718
1190.0000 -129.52875 -122.33685 7.19190 2.92129 -122.44036 1154.79013
1195.0000 -130.62665 -123.37512 7.25153 2.92582 -122.37415 1131.04884
1200.0000 -133.42620 -126.42154 7.00466 2.72009 -125.38546 1011.45980
1205.0000 -133.58004 -123.51987 10.06018 2.74454 -125.02752 1048.06822
1210.0000 -129.87909 -121.70854 8.17055 2.87341 -123.14122 1160.04813
1215.0000 -132.07870 -124.18736 7.89134 2.91771 -122.49282 1147.96480
1220.0000 -132.31764 -124.41050 7.90714 2.77122 -124.63697 1045.42771
1225.0000 -131.72265 -123.78416 7.93850 2.80254 -124.17863 1019.62963
1230.0000 -131.19483 -124.69478 6.50005 2.79712 -124.25789 1052.96488
1235.0000 -132.36705 -124.17469 8.19236 2.81437 -124.00549 1055.22382
1240.0000 -130.87651 -123.01231 7.86420 2.80951 -124.07657 1075.18572
1245.0000 -131.00849 -122.98716 8.02134 2.78738 -124.40043 1069.43848
1250.0000 -132.40322 -124.11072 8.29251 2.86123 -123.31959 1135.62060
FREEZING PROCESS: loop number 6 T-loop= 1039.0000000000000
main_MD> interactions number 6 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.68556 -3.58937 -1.83032
force_rgl> df(natom) 4.16719 0.83994 3.19113
1255.0000 -131.26793 -123.40245 7.86548 2.84160 -123.60684 1058.17622
1260.0000 -131.69198 -123.83507 7.85691 2.79449 -124.29638 1052.90249
1265.0000 -131.59396 -124.88559 6.70837 2.80715 -124.11110 1070.13271
1270.0000 -132.15727 -124.68707 7.47020 2.75243 -124.91205 993.28337
1275.0000 -131.53774 -123.22193 8.31581 2.83544 -123.69699 1088.27672
1280.0000 -132.55693 -123.86888 8.68805 2.88535 -122.96653 1142.61135
1285.0000 -131.01648 -124.23634 6.78014 2.83809 -123.65817 1109.87347
1290.0000 -132.87870 -125.38499 7.49371 2.72788 -125.27143 1036.78221
1295.0000 -133.59842 -125.97831 7.62011 2.72748 -125.27721 986.00286
1300.0000 -131.87953 -126.11837 5.76116 2.69216 -125.79426 997.97639
1305.0000 -133.12653 -127.17776 5.94878 2.62496 -126.77794 937.49269
1310.0000 -133.22508 -125.31581 7.90928 2.63842 -126.58084 931.94804
1315.0000 -131.90757 -125.10155 6.80602 2.78082 -124.49655 1052.84918
1320.0000 -130.60092 -122.47997 8.12095 2.79170 -124.33724 1066.35056
1325.0000 -130.70262 -124.55699 6.14563 2.78265 -124.46973 1032.55379
1330.0000 -134.41884 -126.97264 7.44620 2.70703 -125.57665 1012.15480
1335.0000 -132.15036 -124.99193 7.15842 2.71330 -125.48483 1001.97532
1340.0000 -131.02164 -122.10180 8.91984 2.81273 -124.02949 1068.31380
1345.0000 -131.21235 -124.63146 6.58089 2.92970 -122.31739 1160.63104
1350.0000 -131.62952 -124.56187 7.06766 2.78273 -124.46854 1049.17576
1355.0000 -131.69478 -124.26524 7.42954 2.77777 -124.54110 1022.50460
1360.0000 -131.73873 -123.96388 7.77485 2.90908 -122.61921 1134.66154
1365.0000 -133.20414 -125.05223 8.15191 2.79323 -124.31483 1091.98426
1370.0000 -132.68556 -125.59366 7.09189 2.66393 -126.20743 950.86084
1375.0000 -133.20960 -125.51256 7.69705 2.65213 -126.38020 931.55467
1380.0000 -132.44298 -125.91827 6.52471 2.71417 -125.47214 989.49870
1385.0000 -132.62764 -125.25955 7.36809 2.69954 -125.68618 1008.59801
1390.0000 -132.90463 -125.37686 7.52777 2.73021 -125.23724 1014.57710
1395.0000 -133.74253 -125.69119 8.05135 2.75012 -124.94588 1016.37334
1400.0000 -133.64340 -127.24251 6.40089 2.69034 -125.82092 993.49774
1405.0000 -134.78295 -127.83588 6.94707 2.60992 -126.99807 931.87072
1410.0000 -133.27427 -125.91135 7.36293 2.58464 -127.36807 929.27685
1415.0000 -134.00494 -125.95264 8.05230 2.70108 -125.66376 983.08533
1420.0000 -131.34683 -123.03175 8.31509 2.83673 -123.67814 1071.78964
1425.0000 -130.33546 -124.31397 6.02149 2.84769 -123.51769 1116.33246
1430.0000 -132.55926 -123.82283 8.73643 2.79516 -124.28669 1070.27342
1435.0000 -130.08755 -122.67070 7.41686 2.86304 -123.29310 1100.67360
1440.0000 -132.47859 -124.37462 8.10396 2.80534 -124.13759 1077.48081
1445.0000 -134.26247 -124.85614 9.40633 2.80082 -124.20373 1079.59003
1450.0000 -132.59679 -126.27652 6.32027 2.73493 -125.16815 1037.52117
1455.0000 -132.95861 -124.91312 8.04549 2.69819 -125.70604 953.05378
1460.0000 -132.40514 -126.63134 5.77380 2.70587 -125.59365 1011.72858
1465.0000 -134.04482 -127.05406 6.99077 2.60718 -127.03815 901.48516
1470.0000 -134.40396 -127.77483 6.62913 2.62494 -126.77812 939.19900
1475.0000 -133.69311 -126.13461 7.55850 2.56398 -127.67048 911.76664
1480.0000 -134.55883 -126.67162 7.88721 2.66397 -126.20684 979.38369
1485.0000 -132.30976 -126.14119 6.16857 2.67339 -126.06906 982.97859
1490.0000 -133.81375 -126.12357 7.69018 2.68781 -125.85790 975.04526
1495.0000 -131.85103 -123.65019 8.20084 2.72088 -125.37387 984.04300
1500.0000 -132.40171 -125.71375 6.68797 2.83551 -123.69604 1082.27978
FREEZING PROCESS: loop number 7 T-loop= 1014.0000000000000
main_MD> interactions number 7 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81854 -1.30489 0.92089
force_rgl> df(natom) 0.32868 3.37180 5.10968
1505.0000 -132.95611 -126.95743 5.99868 2.70370 -125.62530 978.22195
1510.0000 -134.21095 -127.98039 6.23056 2.61229 -126.96339 946.85844
1515.0000 -133.26281 -126.56804 6.69476 2.61207 -126.96656 932.44843
1520.0000 -132.94461 -125.56168 7.38292 2.64258 -126.51999 957.57547
1525.0000 -132.10953 -123.79194 8.31759 2.81800 -123.95225 1064.68944
1530.0000 -131.28672 -123.48541 7.80132 2.87092 -123.17764 1108.04699
1535.0000 -131.05391 -124.18739 6.86652 2.76642 -124.70735 1058.67052
1540.0000 -130.75445 -123.10484 7.64961 2.82222 -123.89060 1069.45927
1545.0000 -130.37254 -123.79786 6.57468 2.85277 -123.44337 1125.32363
1550.0000 -132.21180 -124.41511 7.79669 2.83656 -123.68062 1089.36736
1555.0000 -132.66451 -124.03820 8.62630 2.79118 -124.34483 1059.47967
1560.0000 -132.19876 -124.83379 7.36497 2.84033 -123.62552 1140.96555
1565.0000 -133.69638 -125.79382 7.90256 2.68899 -125.84071 998.01770
1570.0000 -131.59278 -124.05969 7.53309 2.79565 -124.27950 1055.12233
1575.0000 -132.82519 -125.60560 7.21959 2.80449 -124.15011 1072.99858
1580.0000 -133.22920 -125.67911 7.55010 2.67551 -126.03791 1001.28711
1585.0000 -131.65901 -123.51337 8.14564 2.73786 -125.12532 1014.89701
1590.0000 -129.87233 -123.38571 6.48662 2.87901 -123.05924 1128.34234
1595.0000 -133.15919 -125.20442 7.95477 2.83945 -123.63828 1093.16995
1600.0000 -132.77622 -125.40558 7.37063 2.68917 -125.83804 980.72012
1605.0000 -132.77554 -125.83385 6.94169 2.73110 -125.22434 1044.51395
1610.0000 -134.31440 -126.82590 7.48850 2.62137 -126.83039 901.32124
1615.0000 -132.78223 -125.63551 7.14672 2.67335 -126.06959 995.81562
1620.0000 -132.81059 -124.83887 7.97172 2.73385 -125.18399 1038.48830
1625.0000 -132.22205 -124.07852 8.14353 2.79471 -124.29315 1077.80012
1630.0000 -132.42599 -125.78251 6.64349 2.78120 -124.49094 1077.61727
1635.0000 -130.81408 -124.94021 5.87387 2.72308 -125.34167 1011.07035
1640.0000 -132.92693 -125.52977 7.39716 2.70069 -125.66946 944.53849
1645.0000 -133.26434 -125.52309 7.74124 2.67322 -126.07146 973.78136
1650.0000 -132.89976 -125.57620 7.32356 2.66738 -126.15697 981.16637
1655.0000 -132.65958 -124.32262 8.33695 2.79041 -124.35614 1061.05125
1660.0000 -132.96262 -125.51907 7.44355 2.73488 -125.16895 998.57158
1665.0000 -130.57822 -122.85429 7.72393 2.78509 -124.43402 1054.77816
1670.0000 -130.87586 -123.40027 7.47560 2.86521 -123.26134 1093.38934
1675.0000 -130.27090 -124.15820 6.11270 2.81650 -123.97421 1068.03321
1680.0000 -133.48899 -125.10439 8.38460 2.83278 -123.73592 1030.54481
1685.0000 -132.84005 -125.02222 7.81784 2.78330 -124.46019 1064.13837
1690.0000 -133.25334 -124.85350 8.39984 2.77276 -124.61449 1036.72849
1695.0000 -132.97982 -125.46727 7.51254 2.79466 -124.29387 1066.44040
1700.0000 -132.46527 -125.23986 7.22541 2.67460 -126.05126 951.93125
1705.0000 -133.16554 -126.05745 7.10809 2.65882 -126.28220 941.25191
1710.0000 -134.73560 -128.35839 6.37720 2.63072 -126.69360 962.83500
1715.0000 -133.62875 -125.80950 7.81925 2.58446 -127.37063 922.17321
1720.0000 -130.66707 -122.71445 7.95262 2.77872 -124.52729 1063.82927
1725.0000 -132.15176 -124.64806 7.50370 2.80575 -124.13168 1082.46519
1730.0000 -130.30372 -123.61702 6.68669 2.77599 -124.56718 1039.97715
1735.0000 -133.51105 -126.92682 6.58423 2.69414 -125.76521 963.77382
1740.0000 -133.35030 -127.04944 6.30086 2.62962 -126.70965 931.90207
1745.0000 -133.05216 -125.17819 7.87396 2.70832 -125.55779 1003.28276
1750.0000 -133.17140 -126.52176 6.64965 2.67936 -125.98155 951.09065
FREEZING PROCESS: loop number 8 T-loop= 989.00000000000000
main_MD> interactions number 8 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.98496 -5.63991 0.47111
force_rgl> df(natom) 3.34674 -4.12814 1.17652
1755.0000 -133.30713 -126.96718 6.33995 2.62198 -126.82147 942.63382
1760.0000 -133.27326 -126.32941 6.94385 2.66875 -126.13693 960.21839
1765.0000 -131.74126 -123.83940 7.90186 2.74233 -125.05986 1001.68338
1770.0000 -131.69109 -125.79033 5.90076 2.76006 -124.80034 998.32267
1775.0000 -131.46157 -123.81809 7.64348 2.77276 -124.61446 1038.06070
1780.0000 -131.74882 -123.85593 7.89290 2.80122 -124.19796 1092.51369
1785.0000 -133.12170 -126.13758 6.98413 2.75883 -124.81842 1004.18575
1790.0000 -131.80504 -126.06138 5.74367 2.70249 -125.64310 1000.58414
1795.0000 -134.16158 -127.72046 6.44113 2.62271 -126.81087 950.51436
1800.0000 -133.26469 -126.27353 6.99115 2.62153 -126.82804 907.51348
1805.0000 -132.65674 -124.80179 7.85495 2.74748 -124.98447 1042.11650
1810.0000 -131.88868 -123.98310 7.90558 2.77772 -124.54194 1064.86192
1815.0000 -130.88339 -123.04276 7.84064 2.83052 -123.76911 1100.19930
1820.0000 -131.47528 -123.56807 7.90721 2.85465 -123.41588 1095.64866
1825.0000 -132.23307 -124.45615 7.77692 2.78475 -124.43892 1052.69150
1830.0000 -132.17371 -125.90992 6.26379 2.73638 -125.14700 985.34639
1835.0000 -132.52524 -124.48367 8.04157 2.72294 -125.34367 1001.43156
1840.0000 -133.25971 -126.87195 6.38776 2.70206 -125.64931 1001.16778
1845.0000 -133.75758 -127.98150 5.77608 2.57989 -127.43761 879.69124
1850.0000 -135.24997 -128.85173 6.39824 2.54070 -128.01127 903.34258
1855.0000 -134.28501 -128.73531 5.54970 2.51096 -128.44658 871.04793
1860.0000 -135.02549 -128.08725 6.93824 2.52331 -128.26576 874.38709
1865.0000 -133.78082 -127.78016 6.00066 2.58676 -127.33697 914.70805
1870.0000 -132.77008 -126.64414 6.12594 2.57983 -127.43843 911.57643
1875.0000 -133.22703 -125.75991 7.46712 2.67883 -125.98936 992.62656
1880.0000 -132.99614 -126.47930 6.51684 2.71625 -125.44164 1003.40983
1885.0000 -135.65006 -128.25226 7.39780 2.60635 -127.05027 921.78941
1890.0000 -133.48405 -126.73642 6.74763 2.60352 -127.09167 954.83909
1895.0000 -134.11433 -126.90136 7.21296 2.63439 -126.63981 963.56228
1900.0000 -134.62860 -127.76683 6.86177 2.57734 -127.47487 907.36752
1905.0000 -133.50368 -126.28193 7.22175 2.60729 -127.03645 941.56639
1910.0000 -135.17511 -127.89713 7.27797 2.63127 -126.68553 986.10738
1915.0000 -132.34289 -125.58750 6.75539 2.61480 -126.92665 922.24469
1920.0000 -134.81642 -127.92083 6.89559 2.61746 -126.88773 935.25340
1925.0000 -133.39361 -126.64066 6.75295 2.57864 -127.45580 890.75113
1930.0000 -132.92742 -126.77691 6.15051 2.66134 -126.24532 935.82266
1935.0000 -133.38777 -126.94132 6.44645 2.58795 -127.31956 885.20601
1940.0000 -134.85064 -126.24384 8.60679 2.63877 -126.57570 984.55117
1945.0000 -133.11817 -126.34052 6.77766 2.67814 -125.99954 975.28452
1950.0000 -132.24415 -124.99209 7.25206 2.68763 -125.86060 975.10996
1955.0000 -131.19554 -124.70911 6.48643 2.75759 -124.83660 1016.20749
1960.0000 -131.93203 -124.75766 7.17437 2.77138 -124.63473 1032.17651
1965.0000 -134.30176 -126.46810 7.83366 2.64605 -126.46915 945.90719
1970.0000 -130.71735 -124.04207 6.67528 2.76880 -124.67247 1037.70071
1975.0000 -133.37285 -126.84539 6.52746 2.73590 -125.15404 1002.58439
1980.0000 -132.18083 -124.87011 7.31072 2.70318 -125.63299 1017.71628
1985.0000 -132.29798 -123.91660 8.38138 2.73372 -125.18599 1014.97680
1990.0000 -133.57197 -126.38184 7.19013 2.71222 -125.50066 998.16525
1995.0000 -132.51188 -126.40776 6.10412 2.62215 -126.81904 944.21673
2000.0000 -131.24180 -124.47194 6.76987 2.74633 -125.00137 1001.75361
FREEZING PROCESS: loop number 9 T-loop= 964.00000000000000
main_MD> interactions number 9 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84923 -0.92984 -0.62736
force_rgl> df(natom) 1.65862 0.39330 -0.17136
2005.0000 -131.48090 -124.90311 6.57780 2.72590 -125.30046 1002.97370
2010.0000 -133.08305 -125.53412 7.54893 2.69730 -125.71909 996.25315
2015.0000 -132.60808 -125.23536 7.37271 2.73845 -125.11677 1023.26128
2020.0000 -132.77212 -124.76273 8.00939 2.73886 -125.11069 1033.10011
2025.0000 -134.23404 -127.27133 6.96271 2.72145 -125.36552 1028.27553
2030.0000 -132.97035 -126.42739 6.54296 2.61007 -126.99577 931.12898
2035.0000 -134.46226 -126.94159 7.52066 2.62018 -126.84783 949.36342
2040.0000 -132.93413 -126.25732 6.67681 2.64834 -126.43563 964.91933
2045.0000 -132.03376 -125.18089 6.85287 2.69873 -125.69807 1038.18225
2050.0000 -132.70204 -125.35254 7.34949 2.69620 -125.73506 984.82853
2055.0000 -132.40517 -125.25151 7.15366 2.72312 -125.34109 1013.69613
2060.0000 -132.48427 -124.24595 8.23832 2.78375 -124.45356 1033.58067
2065.0000 -131.80347 -125.36081 6.44266 2.74159 -125.07077 1011.84523
2070.0000 -132.92555 -125.70439 7.22116 2.69771 -125.71299 963.59007
2075.0000 -131.90300 -125.20946 6.69354 2.70664 -125.58226 993.38494
2080.0000 -133.98915 -125.90252 8.08663 2.67101 -126.10377 988.32328
2085.0000 -133.87750 -127.16837 6.70914 2.69909 -125.69281 1008.25127
2090.0000 -134.42560 -127.30304 7.12256 2.60907 -127.01049 944.74487
2095.0000 -133.91525 -126.84821 7.06704 2.59822 -127.16926 922.62122
2100.0000 -134.47332 -128.03402 6.43930 2.59029 -127.28533 905.90496
2105.0000 -133.60924 -125.78404 7.82521 2.65348 -126.36035 969.43765
2110.0000 -133.27253 -125.50075 7.77178 2.69042 -125.81977 968.74877
2115.0000 -131.86406 -126.21497 5.64909 2.66301 -126.22090 977.11203
2120.0000 -132.40143 -125.53320 6.86823 2.69881 -125.69695 991.97143
2125.0000 -132.40445 -124.97101 7.43345 2.66357 -126.21267 943.08778
2130.0000 -132.89413 -125.28681 7.60732 2.76070 -124.79101 1061.37608
2135.0000 -131.58972 -124.05318 7.53654 2.72122 -125.36883 991.53042
2140.0000 -134.52401 -126.92697 7.59704 2.63843 -126.58064 925.66859
2145.0000 -132.65299 -125.60101 7.05198 2.62767 -126.73819 960.31538
2150.0000 -132.85573 -123.29117 9.56456 2.75800 -124.83058 1045.64967
2155.0000 -133.02142 -126.02657 6.99485 2.74968 -124.95233 1012.60745
2160.0000 -131.98766 -124.76376 7.22389 2.72387 -125.33006 1006.54982
2165.0000 -134.37256 -125.12792 9.24464 2.70274 -125.63933 986.50828
2170.0000 -131.44009 -124.79723 6.64286 2.66081 -126.25312 958.99439
2175.0000 -133.00832 -127.47087 5.53745 2.63670 -126.60603 920.01356
2180.0000 -133.26358 -127.32359 5.93999 2.61049 -126.98969 922.74573
2185.0000 -133.18293 -127.61929 5.56364 2.62435 -126.78681 926.21023
2190.0000 -134.67911 -127.89775 6.78136 2.49504 -128.67950 853.98971
2195.0000 -135.11787 -128.39808 6.71979 2.57235 -127.54796 925.75584
2200.0000 -136.19487 -129.35953 6.83535 2.46755 -129.08189 840.67347
2205.0000 -134.09409 -127.60962 6.48447 2.53112 -128.15150 895.75750
2210.0000 -133.37519 -125.89730 7.47789 2.64262 -126.51943 962.73286
2215.0000 -131.35363 -123.65690 7.69672 2.71643 -125.43905 999.33724
2220.0000 -133.36989 -125.67165 7.69824 2.80329 -124.16758 1071.00916
2225.0000 -134.57916 -127.26722 7.31194 2.61738 -126.88880 948.63080
2230.0000 -135.14833 -129.15581 5.99252 2.50409 -128.54713 859.37894
2235.0000 -134.05335 -127.18110 6.87225 2.56634 -127.63587 908.03352
2240.0000 -132.97017 -125.49718 7.47299 2.64471 -126.48881 959.10271
2245.0000 -133.04874 -125.21820 7.83054 2.74782 -124.97952 1040.19427
2250.0000 -133.10381 -125.97777 7.12604 2.74526 -125.01699 1011.92618
FREEZING PROCESS: loop number 10 T-loop= 939.00000000000000
main_MD> interactions number 10 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.66372 -4.56741 2.85778
force_rgl> df(natom) -3.96674 4.47091 -3.01793
2255.0000 -132.31260 -125.21729 7.09531 2.68825 -125.85149 1001.57009
2260.0000 -132.37601 -123.77474 8.60127 2.74994 -124.94858 1032.01747
2265.0000 -134.74907 -125.65414 9.09492 2.74693 -124.99256 1015.66865
2270.0000 -134.45586 -126.66495 7.79091 2.64054 -126.54979 911.98201
2275.0000 -132.92399 -126.80803 6.11596 2.64189 -126.53005 965.63239
2280.0000 -134.28025 -127.94558 6.33467 2.53327 -128.11991 865.01670
2285.0000 -134.07402 -127.13330 6.94072 2.59887 -127.15974 943.32059
2290.0000 -136.18387 -129.20882 6.97505 2.48655 -128.80380 852.41400
2295.0000 -135.24446 -128.69216 6.55231 2.53164 -128.14381 880.39873
2300.0000 -133.15656 -126.66509 6.49148 2.61055 -126.98878 925.49705
2305.0000 -134.53757 -128.43310 6.10448 2.48901 -128.76786 838.21389
2310.0000 -134.32499 -126.82961 7.49538 2.57320 -127.53552 890.23270
2315.0000 -134.31322 -126.87178 7.44144 2.62790 -126.73489 987.25807
2320.0000 -133.66689 -127.66392 6.00297 2.56776 -127.61517 892.20352
2325.0000 -132.16352 -126.14652 6.01699 2.63028 -126.70003 918.48018
2330.0000 -132.17160 -125.41033 6.76127 2.70034 -125.67455 986.31003
2335.0000 -131.89146 -125.83375 6.05772 2.65138 -126.39113 957.99430
2340.0000 -132.61003 -125.61125 6.99878 2.70298 -125.63587 1021.61186
2345.0000 -131.11023 -124.61031 6.49992 2.73019 -125.23767 1029.47504
2350.0000 -135.44457 -127.97789 7.46668 2.62922 -126.71557 948.20972
2355.0000 -133.82937 -126.79250 7.03687 2.54790 -127.90586 885.73104
2360.0000 -133.92583 -127.54438 6.38146 2.57195 -127.55375 911.27040
2365.0000 -131.81519 -125.52922 6.28597 2.69269 -125.78643 990.95324
2370.0000 -132.28218 -124.01337 8.26881 2.72229 -125.35327 1007.52283
2375.0000 -133.29716 -127.15281 6.14436 2.72887 -125.25698 988.13987
2380.0000 -134.08581 -127.34199 6.74382 2.63091 -126.69071 961.46608
2385.0000 -133.19600 -126.47541 6.72059 2.65148 -126.38969 945.48343
2390.0000 -133.79759 -126.56637 7.23122 2.65245 -126.37554 939.93917
2395.0000 -133.60944 -126.69488 6.91456 2.61717 -126.89187 915.93254
2400.0000 -133.54645 -127.49482 6.05163 2.61004 -126.99620 880.06681
2405.0000 -133.54856 -125.04202 8.50654 2.72571 -125.30316 1019.52327
2410.0000 -134.18058 -127.24088 6.93970 2.65508 -126.33703 964.94338
2415.0000 -132.51742 -125.46270 7.05472 2.67069 -126.10847 1000.58611
2420.0000 -132.81807 -127.12105 5.69702 2.66282 -126.22364 995.77391
2425.0000 -134.11479 -127.08710 7.02770 2.60153 -127.12081 926.79898
2430.0000 -133.35983 -126.28867 7.07116 2.61304 -126.95231 899.86388
2435.0000 -134.85635 -128.14435 6.71200 2.59496 -127.21704 899.42609
2440.0000 -134.43094 -126.91588 7.51505 2.57533 -127.50430 901.40567
2445.0000 -134.09213 -127.11762 6.97451 2.63481 -126.63365 960.34182
2450.0000 -133.35881 -126.86427 6.49454 2.62677 -126.75145 957.42577
2455.0000 -133.56873 -126.89592 6.67281 2.65011 -126.40980 950.83749
2460.0000 -134.90003 -127.68469 7.21533 2.54601 -127.93347 886.23319
2465.0000 -132.91669 -126.11468 6.80201 2.62474 -126.78117 908.66519
2470.0000 -131.84527 -126.16911 5.67615 2.67931 -125.98234 946.46076
2475.0000 -132.40914 -127.08183 5.32731 2.65739 -126.30316 937.12102
2480.0000 -133.90424 -127.79523 6.10900 2.55786 -127.76003 860.27713
2485.0000 -131.60904 -126.13186 5.47718 2.60553 -127.06230 906.11820
2490.0000 -132.88845 -126.72981 6.15864 2.68254 -125.93505 954.01641
2495.0000 -133.16962 -127.26865 5.90097 2.62102 -126.83554 946.48008
2500.0000 -133.70785 -127.79518 5.91268 2.57271 -127.54264 905.53403
FREEZING PROCESS: loop number 11 T-loop= 914.00000000000000
main_MD> interactions number 11 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37483 3.33063 -4.46497
force_rgl> df(natom) 4.55940 -0.38686 0.71820
2505.0000 -133.95792 -127.48415 6.47377 2.62790 -126.73491 943.07844
2510.0000 -134.40598 -127.94918 6.45680 2.59954 -127.14994 931.29989
2515.0000 -134.50628 -127.47494 7.03134 2.56932 -127.59234 905.53637
2520.0000 -134.67037 -127.50978 7.16059 2.52638 -128.22075 871.80965
2525.0000 -134.61228 -128.77900 5.83327 2.51831 -128.33890 864.26513
2530.0000 -134.21696 -128.63581 5.58115 2.49702 -128.65062 833.03693
2535.0000 -133.77156 -127.31515 6.45642 2.53985 -128.02372 886.86655
2540.0000 -134.54455 -126.61522 7.92933 2.59467 -127.22128 913.45538
2545.0000 -133.80741 -125.80601 8.00140 2.61643 -126.90268 921.84020
2550.0000 -134.33038 -128.14624 6.18414 2.60638 -127.04988 940.42039
2555.0000 -133.91228 -128.24371 5.66857 2.56317 -127.68230 912.21063
2560.0000 -134.75832 -128.30442 6.45390 2.57686 -127.48186 909.34986
2565.0000 -134.69112 -127.79620 6.89492 2.54256 -127.98391 910.22381
2570.0000 -132.77840 -126.73923 6.03917 2.61000 -126.99686 927.53847
2575.0000 -133.90231 -127.41888 6.48343 2.62148 -126.82887 944.00470
2580.0000 -134.87681 -127.67516 7.20165 2.54145 -128.00023 886.95460
2585.0000 -135.02396 -129.18181 5.84215 2.51628 -128.36866 872.07946
2590.0000 -132.95054 -126.87069 6.07985 2.53740 -128.05956 878.22995
2595.0000 -133.98267 -127.76688 6.21578 2.54272 -127.98167 868.80443
2600.0000 -132.94675 -125.07454 7.87221 2.61329 -126.94874 935.62781
2605.0000 -132.94847 -126.12364 6.82483 2.75814 -124.82855 1021.94475
2610.0000 -133.86613 -126.77945 7.08668 2.66741 -126.15646 998.22374
2615.0000 -132.13338 -125.09012 7.04326 2.65116 -126.39435 988.17396
2620.0000 -133.28479 -126.05873 7.22606 2.70754 -125.56916 965.59185
2625.0000 -133.16936 -125.30171 7.86766 2.70953 -125.53995 980.64677
2630.0000 -132.64252 -125.05124 7.59128 2.72047 -125.37985 1006.35109
2635.0000 -135.18245 -127.86976 7.31269 2.67279 -126.07779 984.95899
2640.0000 -134.68608 -128.11826 6.56782 2.59230 -127.25590 906.55139
2645.0000 -135.91531 -129.30205 6.61326 2.54275 -127.98126 874.44639
2650.0000 -134.89088 -126.80462 8.08626 2.51732 -128.35339 865.90057
2655.0000 -135.07936 -127.69432 7.38504 2.61856 -126.87154 964.73367
2660.0000 -133.29321 -125.58119 7.71202 2.66540 -126.18595 991.47207
2665.0000 -133.86545 -127.45618 6.40928 2.66860 -126.13907 985.79193
2670.0000 -132.88231 -124.71110 8.17121 2.64785 -126.44279 923.30849
2675.0000 -133.10273 -126.69464 6.40808 2.69702 -125.72312 983.40848
2680.0000 -133.61558 -127.64881 5.96676 2.61102 -126.98197 937.68526
2685.0000 -133.18892 -126.52340 6.66552 2.64520 -126.48167 930.61914
2690.0000 -131.60715 -124.96035 6.64679 2.66264 -126.22639 1006.18482
2695.0000 -133.02633 -126.11982 6.90651 2.69192 -125.79783 987.85500
2700.0000 -132.56936 -126.67385 5.89550 2.63978 -126.56100 931.30499
2705.0000 -133.34297 -127.16741 6.17556 2.59564 -127.20710 907.13267
2710.0000 -132.63301 -125.66086 6.97215 2.62295 -126.80724 917.72662
2715.0000 -132.96473 -126.36927 6.59546 2.66091 -126.25160 929.55003
2720.0000 -133.65847 -127.17700 6.48147 2.61689 -126.89593 908.17538
2725.0000 -134.29535 -126.92849 7.36686 2.57062 -127.57321 899.20053
2730.0000 -133.92054 -127.51392 6.40662 2.57156 -127.55955 921.74668
2735.0000 -133.79708 -126.89003 6.90705 2.58579 -127.35120 891.64492
2740.0000 -133.59879 -127.51508 6.08371 2.63495 -126.63163 967.60230
2745.0000 -134.42168 -127.93151 6.49017 2.49661 -128.65663 854.48173
2750.0000 -134.74218 -127.75394 6.98823 2.60005 -127.14242 925.53785
FREEZING PROCESS: loop number 12 T-loop= 889.00000000000000
main_MD> interactions number 12 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.70304 -0.37597 -1.17067
force_rgl> df(natom) 1.30754 2.61142 -1.70641
2755.0000 -134.76675 -128.56387 6.20289 2.51270 -128.42110 839.17841
2760.0000 -134.22719 -127.89816 6.32903 2.56163 -127.70484 906.77009
2765.0000 -134.49788 -127.35119 7.14669 2.52826 -128.19335 876.48253
2770.0000 -133.55597 -127.47838 6.07759 2.56041 -127.72274 905.26493
2775.0000 -132.73145 -125.62393 7.10752 2.63174 -126.67863 947.74974
2780.0000 -133.84637 -127.42840 6.41797 2.62437 -126.78653 923.42938
2785.0000 -136.44350 -129.89708 6.54642 2.45441 -129.27421 813.01274
2790.0000 -133.03760 -125.60932 7.42828 2.52912 -128.18066 884.27411
2795.0000 -132.50697 -124.99174 7.51524 2.71560 -125.45109 1040.58851
2800.0000 -133.48261 -126.38536 7.09726 2.68429 -125.90946 986.89895
2805.0000 -134.86301 -129.15619 5.70682 2.58320 -127.38912 871.31853
2810.0000 -134.01614 -128.61954 5.39660 2.48299 -128.85590 807.94506
2815.0000 -134.20751 -128.99652 5.21099 2.48839 -128.77695 818.55815
2820.0000 -136.35758 -129.79381 6.56377 2.43481 -129.56115 777.07762
2825.0000 -133.75118 -126.11866 7.63252 2.50614 -128.51713 862.63377
2830.0000 -133.62760 -126.24262 7.38499 2.71320 -125.48625 992.53987
2835.0000 -133.57729 -126.74277 6.83452 2.65220 -126.37917 934.35014
2840.0000 -134.66304 -126.87511 7.78792 2.61722 -126.89118 929.10075
2845.0000 -133.74711 -126.99737 6.74974 2.63514 -126.62890 985.03840
2850.0000 -135.01900 -128.46030 6.55870 2.53849 -128.04352 877.02343
2855.0000 -135.60842 -129.02277 6.58565 2.50758 -128.49595 848.48555
2860.0000 -136.06641 -130.74487 5.32154 2.40538 -129.99190 783.59990
2865.0000 -135.26288 -129.51275 5.75013 2.43588 -129.54555 814.81813
2870.0000 -135.26591 -129.47220 5.79371 2.47570 -128.96258 850.29465
2875.0000 -134.27974 -129.29887 4.98087 2.41770 -129.81163 784.42750
2880.0000 -133.84376 -127.99479 5.84898 2.49128 -128.73452 857.17704
2885.0000 -134.97502 -128.08651 6.88851 2.53617 -128.07756 871.17010
2890.0000 -133.30278 -126.77648 6.52630 2.51813 -128.34154 848.27775
2895.0000 -134.35984 -127.32281 7.03703 2.55795 -127.75869 898.32803
2900.0000 -135.19606 -127.51503 7.68104 2.54889 -127.89138 872.63507
2905.0000 -132.25765 -126.50746 5.75019 2.58394 -127.37826 903.54667
2910.0000 -133.17667 -126.52923 6.64745 2.66596 -126.17776 977.79312
2915.0000 -133.71710 -127.54379 6.17331 2.60897 -127.01189 876.77446
2920.0000 -134.04428 -127.94568 6.09860 2.59823 -127.16910 907.43958
2925.0000 -134.52791 -127.94719 6.58072 2.54040 -128.01560 881.95533
2930.0000 -134.41258 -128.14693 6.26565 2.51757 -128.34984 881.39636
2935.0000 -135.63096 -129.78554 5.84543 2.49649 -128.65831 849.98850
2940.0000 -135.14389 -129.53947 5.60441 2.43550 -129.55111 830.87577
2945.0000 -134.43947 -126.73515 7.70433 2.55274 -127.83495 877.42077
2950.0000 -133.15256 -125.82024 7.33232 2.63698 -126.60191 910.76348
2955.0000 -133.00275 -126.57861 6.42414 2.61613 -126.90718 920.05442
2960.0000 -132.98408 -126.49584 6.48824 2.67834 -125.99657 993.12869
2965.0000 -134.09251 -127.42291 6.66960 2.61245 -126.96101 909.61567
2970.0000 -135.31100 -129.07836 6.23264 2.53329 -128.11964 856.18165
2975.0000 -133.94388 -127.37230 6.57158 2.47715 -128.94138 820.25860
2980.0000 -133.69728 -127.67063 6.02665 2.59276 -127.24923 894.55183
2985.0000 -135.29912 -128.83497 6.46415 2.46738 -129.08447 846.64766
2990.0000 -135.14902 -127.78958 7.35944 2.52645 -128.21973 874.18721
2995.0000 -135.16473 -129.07034 6.09439 2.53779 -128.05381 892.46665
3000.0000 -135.82437 -130.16094 5.66343 2.47910 -128.91289 838.69277
FREEZING PROCESS: loop number 13 T-loop= 864.00000000000000
main_MD> interactions number 13 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36427 -0.78502 1.36833
force_rgl> df(natom) 0.92067 4.10519 -2.44935
3005.0000 -134.62765 -129.38508 5.24257 2.44792 -129.36931 819.38637
3010.0000 -134.10738 -128.71036 5.39702 2.44025 -129.48146 796.70326
3015.0000 -135.74836 -129.37773 6.37063 2.44494 -129.41284 830.00050
3020.0000 -133.30975 -127.86357 5.44618 2.50122 -128.58915 824.98683
3025.0000 -134.71251 -128.17862 6.53388 2.55064 -127.86575 867.80351
3030.0000 -134.87747 -129.15307 5.72440 2.46858 -129.06688 818.74510
3035.0000 -135.48219 -129.45838 6.02381 2.47432 -128.98288 834.53589
3040.0000 -133.76161 -127.95617 5.80544 2.49780 -128.63909 835.39483
3045.0000 -133.85301 -127.35290 6.50011 2.55358 -127.82274 857.19971
3050.0000 -133.69361 -127.64268 6.05092 2.55297 -127.83167 906.15817
3055.0000 -132.80589 -126.79186 6.01404 2.61495 -126.92444 921.55403
3060.0000 -133.35942 -127.33232 6.02710 2.63274 -126.66407 900.70143
3065.0000 -134.46704 -128.64755 5.81949 2.56474 -127.65939 896.97151
3070.0000 -133.70964 -127.26852 6.44112 2.53694 -128.06618 863.06205
3075.0000 -133.53652 -127.44385 6.09267 2.63416 -126.64322 950.84048
3080.0000 -135.26311 -128.93418 6.32893 2.49897 -128.62208 830.58157
3085.0000 -133.93579 -128.02607 5.90972 2.50526 -128.53001 858.47638
3090.0000 -134.03001 -127.75991 6.27011 2.57833 -127.46041 914.48035
3095.0000 -133.95448 -127.74584 6.20864 2.58798 -127.31923 882.82314
3100.0000 -133.91380 -127.63002 6.28377 2.56324 -127.68128 908.77784
3105.0000 -135.25666 -128.61362 6.64303 2.54529 -127.94397 898.14188
3110.0000 -134.18877 -127.42406 6.76471 2.57959 -127.44192 926.97658
3115.0000 -133.52958 -127.31178 6.21780 2.60243 -127.10766 900.21449
3120.0000 -134.68081 -128.51374 6.16707 2.51078 -128.44911 843.68096
3125.0000 -134.07076 -126.45066 7.62010 2.61784 -126.88208 910.56902
3130.0000 -133.08504 -125.54013 7.54491 2.59553 -127.20863 903.02336
3135.0000 -132.62506 -125.97114 6.65391 2.69108 -125.81003 992.86403
3140.0000 -132.99591 -127.27546 5.72045 2.62316 -126.80418 894.87129
3145.0000 -135.29485 -127.69465 7.60020 2.55211 -127.84418 877.53907
3150.0000 -134.54232 -128.22833 6.31399 2.55103 -127.86000 886.60751
3155.0000 -134.75884 -128.08809 6.67074 2.46810 -129.07388 836.26577
3160.0000 -134.03897 -127.49301 6.54596 2.49778 -128.63949 876.40948
3165.0000 -134.18708 -127.17992 7.00716 2.62832 -126.72864 933.18778
3170.0000 -135.50332 -129.17134 6.33198 2.51130 -128.44149 871.40121
3175.0000 -134.79578 -128.22641 6.56937 2.50293 -128.56410 842.56559
3180.0000 -135.04303 -128.80076 6.24227 2.50576 -128.52267 856.27261
3185.0000 -135.19326 -129.08809 6.10517 2.45710 -129.23490 805.14545
3190.0000 -135.36495 -129.05333 6.31163 2.44222 -129.45262 792.95184
3195.0000 -135.52712 -129.65316 5.87396 2.48094 -128.88590 841.48844
3200.0000 -135.88063 -129.34356 6.53706 2.46160 -129.16902 814.29530
3205.0000 -136.13694 -129.36031 6.77663 2.46120 -129.17484 825.79197
3210.0000 -135.17953 -128.57008 6.60945 2.51434 -128.39707 903.28938
3215.0000 -135.00251 -128.48565 6.51686 2.45963 -129.19779 832.00497
3220.0000 -134.47006 -128.13431 6.33575 2.51167 -128.43609 867.71293
3225.0000 -134.24652 -128.21536 6.03117 2.53121 -128.15016 862.52585
3230.0000 -134.97842 -129.89603 5.08239 2.44764 -129.37340 798.67874
3235.0000 -133.55675 -127.63647 5.92028 2.47935 -128.90921 806.36707
3240.0000 -133.46027 -126.64185 6.81841 2.63113 -126.68751 942.44522
3245.0000 -132.95070 -125.10601 7.84469 2.65628 -126.31937 950.62567
3250.0000 -133.89311 -126.37986 7.51325 2.63171 -126.67914 926.75048
FREEZING PROCESS: loop number 14 T-loop= 839.00000000000000
main_MD> interactions number 14 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91201 3.74682 8.98344
force_rgl> df(natom) 2.61069 -2.08825 -0.71627
3255.0000 -135.01063 -128.90369 6.10694 2.60241 -127.10798 889.52760
3260.0000 -134.68129 -128.92460 5.75669 2.51158 -128.43739 831.38191
3265.0000 -134.54938 -128.71618 5.83319 2.46991 -129.04738 842.21779
3270.0000 -134.82305 -128.82822 5.99484 2.47203 -129.01638 829.53288
3275.0000 -134.09553 -128.26418 5.83135 2.51194 -128.43223 861.63022
3280.0000 -135.43550 -128.73126 6.70424 2.49178 -128.72727 834.94821
3285.0000 -135.53994 -130.69707 4.84287 2.39434 -130.15350 774.72063
3290.0000 -136.54360 -131.15076 5.39283 2.31995 -131.24231 731.34826
3295.0000 -135.42337 -129.90524 5.51814 2.34688 -130.84817 761.94658
3300.0000 -135.21792 -129.55097 5.66696 2.40665 -129.97329 768.50937
3305.0000 -135.67711 -130.49998 5.17713 2.44330 -129.43682 827.36557
3310.0000 -135.38177 -129.05081 6.33096 2.37583 -130.42446 753.90447
3315.0000 -135.99361 -129.58494 6.40867 2.41227 -129.89109 782.39578
3320.0000 -135.82198 -130.02923 5.79275 2.44674 -129.38647 777.97015
3325.0000 -135.17074 -128.97378 6.19696 2.44508 -129.41083 775.69149
3330.0000 -135.10667 -129.44778 5.65889 2.45238 -129.30399 801.15618
3335.0000 -134.86052 -128.58088 6.27964 2.47764 -128.93422 856.56874
3340.0000 -133.83394 -129.07015 4.76379 2.48085 -128.88725 815.75216
3345.0000 -135.48498 -129.80118 5.68380 2.46093 -129.17877 806.82004
3350.0000 -135.07270 -128.47647 6.59622 2.40618 -129.98026 792.60763
3355.0000 -135.57917 -130.08979 5.48938 2.46721 -129.08687 827.96135
3360.0000 -135.97786 -130.62921 5.34864 2.41451 -129.85821 803.68630
3365.0000 -135.09723 -128.69236 6.40487 2.43506 -129.55751 787.26720
3370.0000 -135.52775 -129.51958 6.00818 2.45374 -129.28405 826.88887
3375.0000 -135.42503 -130.03083 5.39420 2.40208 -130.04024 766.89321
3380.0000 -135.43635 -129.12122 6.31513 2.43325 -129.58404 806.21571
3385.0000 -135.29816 -128.78686 6.51130 2.48360 -128.84697 862.62543
3390.0000 -134.43833 -127.38564 7.05269 2.54217 -127.98970 866.89928
3395.0000 -134.67873 -128.01493 6.66380 2.52495 -128.24181 858.09230
3400.0000 -135.46024 -129.23016 6.23007 2.51586 -128.37474 865.59182
3405.0000 -133.30739 -126.96046 6.34692 2.53482 -128.09732 888.19245
3410.0000 -133.51805 -127.64698 5.87107 2.53842 -128.04454 848.88657
3415.0000 -135.66480 -129.80156 5.86324 2.52272 -128.27443 849.92110
3420.0000 -134.97780 -128.85258 6.12521 2.48785 -128.78486 841.82055
3425.0000 -134.84758 -129.14775 5.69983 2.42640 -129.68429 796.17822
3430.0000 -134.66524 -127.77596 6.88928 2.55398 -127.81676 883.21206
3435.0000 -135.43248 -129.10249 6.32999 2.50509 -128.53251 821.93501
3440.0000 -133.03608 -128.17321 4.86288 2.48197 -128.87092 841.57665
3445.0000 -134.68225 -127.10947 7.57279 2.61753 -126.88664 924.00119
3450.0000 -133.70908 -125.62175 8.08732 2.64756 -126.44701 940.46141
3455.0000 -132.41990 -126.38670 6.03320 2.68755 -125.86170 932.24853
3460.0000 -134.16494 -128.32048 5.84446 2.48812 -128.78080 863.57814
3465.0000 -134.73662 -128.36987 6.36675 2.50814 -128.48775 857.09881
3470.0000 -135.79799 -130.26769 5.53030 2.44501 -129.41184 778.88602
3475.0000 -135.33324 -130.40552 4.92772 2.40959 -129.93030 800.14245
3480.0000 -135.69043 -130.66900 5.02143 2.36792 -130.54030 765.51503
3485.0000 -134.98207 -129.71385 5.26822 2.39477 -130.14721 767.15463
3490.0000 -135.12676 -130.26903 4.85774 2.41020 -129.92131 789.57825
3495.0000 -135.33117 -129.80173 5.52943 2.35679 -130.70312 722.85758
3500.0000 -133.76556 -128.03797 5.72759 2.46448 -129.12692 814.38010
FREEZING PROCESS: loop number 15 T-loop= 814.00000000000000
main_MD> interactions number 15 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88509 2.87661 -2.26691
force_rgl> df(natom) -1.58070 -2.16315 -0.66142
3505.0000 -135.02762 -128.93472 6.09291 2.49559 -128.67145 859.22119
3510.0000 -134.91938 -128.99765 5.92172 2.46555 -129.11114 836.24339
3515.0000 -135.82583 -128.90592 6.91991 2.50452 -128.54083 872.73405
3520.0000 -135.59869 -130.45336 5.14533 2.40715 -129.96604 789.45517
3525.0000 -134.98700 -129.75682 5.23018 2.40745 -129.96155 796.71759
3530.0000 -134.68636 -130.12297 4.56339 2.43983 -129.48769 798.75101
3535.0000 -136.07583 -130.00281 6.07303 2.40155 -130.04804 754.77379
3540.0000 -135.09327 -128.99992 6.09335 2.45188 -129.31135 833.31181
3545.0000 -135.16467 -129.62781 5.53686 2.49047 -128.74640 863.97061
3550.0000 -135.06028 -129.54137 5.51891 2.45419 -129.27753 819.87880
3555.0000 -135.57098 -129.67023 5.90075 2.44172 -129.46005 787.56124
3560.0000 -135.68937 -130.06685 5.62251 2.40565 -129.98790 777.46092
3565.0000 -134.94422 -128.70428 6.23993 2.44603 -129.39692 821.86331
3570.0000 -136.27120 -130.05283 6.21837 2.37695 -130.40808 767.26554
3575.0000 -135.44639 -129.99126 5.45513 2.42024 -129.77435 789.93930
3580.0000 -134.28820 -129.63070 4.65750 2.44116 -129.46823 759.91910
3585.0000 -136.11261 -130.14444 5.96817 2.43794 -129.51536 767.60576
3590.0000 -136.69069 -130.68173 6.00897 2.38357 -130.31113 771.14864
3595.0000 -135.51818 -129.95413 5.56405 2.39503 -130.14336 756.33451
3600.0000 -135.68086 -128.76460 6.91626 2.46046 -129.18564 829.82984
3605.0000 -135.84114 -129.11367 6.72747 2.49599 -128.66566 852.21798
3610.0000 -134.08686 -127.33520 6.75165 2.47362 -128.99307 839.20521
3615.0000 -134.18605 -127.19197 6.99407 2.58020 -127.43308 921.04574
3620.0000 -135.34769 -129.61747 5.73022 2.53110 -128.15171 894.42706
3625.0000 -135.71435 -129.49474 6.21961 2.41295 -129.88106 759.04935
3630.0000 -135.59762 -129.75254 5.84508 2.43940 -129.49392 804.36271
3635.0000 -135.33904 -129.93316 5.40588 2.42821 -129.65770 805.25719
3640.0000 -134.94833 -130.29341 4.65492 2.38504 -130.28966 776.30269
3645.0000 -134.65477 -129.81324 4.84153 2.39718 -130.11192 794.25965
3650.0000 -134.61653 -129.20386 5.41267 2.40831 -129.94898 783.91861
3655.0000 -134.99966 -130.01260 4.98706 2.45644 -129.24452 807.52958
3660.0000 -134.73091 -129.40910 5.32181 2.43244 -129.59584 801.88721
3665.0000 -135.14926 -129.64649 5.50277 2.39853 -130.09224 764.75410
3670.0000 -135.08765 -129.31218 5.77547 2.48656 -128.80367 818.06944
3675.0000 -134.79468 -128.76067 6.03401 2.46938 -129.05515 822.41039
3680.0000 -135.64513 -128.99992 6.64521 2.51284 -128.41902 866.72748
3685.0000 -134.55284 -129.31112 5.24172 2.49169 -128.72856 858.78818
3690.0000 -136.07555 -130.10993 5.96562 2.44691 -129.38410 814.10843
3695.0000 -135.85342 -130.22181 5.63161 2.37264 -130.47115 735.34763
3700.0000 -134.64779 -128.45070 6.19709 2.45353 -129.28711 804.58137
3705.0000 -136.32966 -130.41866 5.91100 2.45933 -129.20227 808.90493
3710.0000 -134.56525 -128.45328 6.11197 2.40003 -130.07016 782.22091
3715.0000 -135.27771 -129.10712 6.17059 2.49651 -128.65801 833.15652
3720.0000 -135.50315 -128.73186 6.77130 2.52218 -128.28223 870.96975
3725.0000 -133.91813 -128.62464 5.29349 2.45666 -129.24125 819.19547
3730.0000 -135.79762 -130.40092 5.39670 2.41160 -129.90085 789.32212
3735.0000 -135.57937 -129.73076 5.84861 2.43644 -129.53728 846.29263
3740.0000 -136.71611 -131.46453 5.25158 2.33192 -131.06715 722.25325
3745.0000 -135.49102 -129.95351 5.53751 2.34867 -130.82199 756.06363
3750.0000 -135.55003 -129.50047 6.04956 2.39510 -130.14237 803.78857
FREEZING PROCESS: loop number 16 T-loop= 789.00000000000000
main_MD> interactions number 16 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28737 -1.98153 0.05240
force_rgl> df(natom) -1.12576 -1.36407 -0.49020
3755.0000 -135.10308 -129.56364 5.53944 2.42216 -129.74636 804.30159
3760.0000 -135.37062 -128.30049 7.07013 2.46824 -129.07179 829.29300
3765.0000 -135.71226 -129.25344 6.45882 2.47746 -128.93691 847.46387
3770.0000 -136.62724 -130.79743 5.82981 2.39526 -130.14001 770.78849
3775.0000 -135.87399 -129.94946 5.92453 2.40158 -130.04755 785.84262
3780.0000 -135.44424 -129.93097 5.51326 2.44064 -129.47576 805.66721
3785.0000 -134.94380 -129.94309 5.00071 2.40453 -130.00435 774.41040
3790.0000 -136.16704 -130.15456 6.01248 2.42893 -129.64718 794.97131
3795.0000 -134.89903 -130.38087 4.51816 2.43570 -129.54818 800.11987
3800.0000 -135.79603 -130.44897 5.34706 2.41430 -129.86135 766.85546
3805.0000 -135.60060 -130.14761 5.45298 2.37626 -130.41809 748.77538
3810.0000 -134.50507 -127.96563 6.53945 2.44683 -129.38520 784.26678
3815.0000 -134.66134 -129.03667 5.62467 2.50846 -128.48315 841.94917
3820.0000 -135.93050 -129.34311 6.58739 2.42706 -129.67465 796.18744
3825.0000 -133.68192 -128.47195 5.20997 2.47727 -128.93960 800.21406
3830.0000 -134.93131 -129.18483 5.74648 2.47551 -128.96538 828.17832
3835.0000 -134.44835 -128.77972 5.66863 2.46496 -129.11983 839.44570
3840.0000 -134.23467 -128.95931 5.27536 2.49927 -128.61767 845.07327
3845.0000 -136.65987 -129.71280 6.94707 2.45826 -129.21792 834.40008
3850.0000 -135.15701 -129.58508 5.57193 2.44948 -129.34642 803.49994
3855.0000 -135.06785 -127.55771 7.51014 2.51115 -128.44372 857.68687
3860.0000 -135.60999 -128.34525 7.26474 2.56493 -127.65650 890.66487
3865.0000 -135.95374 -129.82296 6.13079 2.46869 -129.06523 838.83430
3870.0000 -135.86999 -130.04856 5.82143 2.36925 -130.52076 748.08832
3875.0000 -135.87108 -129.33591 6.53517 2.42032 -129.77320 811.14243
3880.0000 -135.93184 -130.52564 5.40620 2.38991 -130.21833 781.83912
3885.0000 -135.36107 -129.33951 6.02156 2.44818 -129.36549 807.34447
3890.0000 -136.08085 -130.62762 5.45323 2.43959 -129.49111 803.17856
3895.0000 -135.17602 -128.91981 6.25621 2.42117 -129.76079 787.03605
3900.0000 -134.76478 -129.94332 4.82145 2.44129 -129.46636 782.55254
3905.0000 -134.86731 -128.22703 6.64028 2.47485 -128.97501 816.42134
3910.0000 -135.40670 -129.48504 5.92166 2.47784 -128.93138 825.36662
3915.0000 -134.83366 -128.49802 6.33564 2.48544 -128.82008 829.56598
3920.0000 -135.60371 -129.46456 6.13916 2.49765 -128.64137 848.21587
3925.0000 -135.10585 -128.94318 6.16267 2.43045 -129.62498 816.34648
3930.0000 -135.16222 -128.34636 6.81585 2.48160 -128.87624 838.43629
3935.0000 -135.55714 -129.70110 5.85604 2.47311 -129.00049 825.90442
3940.0000 -134.78109 -129.11817 5.66292 2.46422 -129.13069 827.84894
3945.0000 -134.57266 -128.94693 5.62573 2.48420 -128.83821 810.11872
3950.0000 -134.64026 -129.05269 5.58757 2.43056 -129.62340 785.36114
3955.0000 -134.56388 -129.50923 5.05465 2.43107 -129.61594 780.19820
3960.0000 -136.30165 -131.25601 5.04564 2.33908 -130.96241 743.75499
3965.0000 -134.36155 -128.96869 5.39286 2.39914 -130.08324 760.74612
3970.0000 -136.36504 -130.00120 6.36384 2.46307 -129.14754 823.30329
3975.0000 -137.53058 -131.73526 5.79532 2.37818 -130.39000 800.15481
3980.0000 -134.55901 -129.19936 5.35966 2.40220 -130.03852 763.97616
3985.0000 -135.32415 -128.24343 7.08072 2.47956 -128.90611 817.55712
3990.0000 -135.71387 -129.92368 5.79019 2.48171 -128.87462 812.24819
3995.0000 -136.22517 -130.48126 5.74391 2.40185 -130.04351 790.70063
4000.0000 -135.89556 -131.10725 4.78831 2.33194 -131.06686 712.31431
FREEZING PROCESS: loop number 17 T-loop= 764.00000000000000
main_MD> interactions number 17 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98563 -5.73660 1.18606
force_rgl> df(natom) 1.80680 -0.17341 -0.07652
4005.0000 -135.48307 -130.01898 5.46409 2.32292 -131.19896 721.06860
4010.0000 -134.07488 -128.20748 5.86740 2.45867 -129.21186 808.44004
4015.0000 -135.50619 -129.19445 6.31174 2.49812 -128.63448 839.33565
4020.0000 -135.03182 -128.74704 6.28478 2.48695 -128.79793 818.77593
4025.0000 -136.82399 -131.26327 5.56072 2.46450 -129.12659 822.73103
4030.0000 -135.48526 -130.84211 4.64314 2.30190 -131.50660 714.60270
4035.0000 -136.06297 -131.01380 5.04917 2.32760 -131.13036 705.72792
4040.0000 -135.56960 -130.37912 5.19047 2.34022 -130.94573 733.79791
4045.0000 -135.39593 -131.11995 4.27598 2.40299 -130.02687 770.91489
4050.0000 -136.19806 -130.97409 5.22397 2.32464 -131.17374 694.40056
4055.0000 -135.94110 -129.47123 6.46987 2.41261 -129.88608 795.89888
4060.0000 -136.18648 -130.42005 5.76642 2.45664 -129.24162 805.72140
4065.0000 -136.89650 -132.11369 4.78281 2.31872 -131.26039 675.97972
4070.0000 -136.67136 -131.23832 5.43304 2.26095 -132.10601 673.41499
4075.0000 -136.39622 -131.37652 5.01970 2.33024 -131.09174 732.42288
4080.0000 -135.87826 -130.66491 5.21335 2.34822 -130.82854 717.96288
4085.0000 -136.69690 -130.24238 6.45452 2.35449 -130.73686 746.18394
4090.0000 -136.63348 -129.75309 6.88039 2.37019 -130.50705 770.26231
4095.0000 -133.98530 -128.35704 5.62826 2.42043 -129.77159 803.57302
4100.0000 -134.74269 -127.60091 7.14178 2.54627 -127.92965 904.02772
4105.0000 -136.33880 -130.58747 5.75133 2.49506 -128.67925 860.23956
4110.0000 -135.65281 -129.66268 5.99014 2.35621 -130.71167 746.55253
4115.0000 -135.90205 -130.20169 5.70036 2.39690 -130.11600 789.72633
4120.0000 -135.44310 -129.65043 5.79267 2.42323 -129.73066 780.18306
4125.0000 -136.50202 -131.69513 4.80689 2.37008 -130.50866 748.36634
4130.0000 -136.93707 -131.59866 5.33841 2.29010 -131.67926 702.70124
4135.0000 -137.46399 -130.85420 6.60979 2.33192 -131.06713 739.57158
4140.0000 -135.88123 -129.27458 6.60665 2.41918 -129.78988 790.03028
4145.0000 -136.11272 -131.10108 5.01164 2.40770 -129.95790 764.37635
4150.0000 -135.84427 -129.92606 5.91821 2.37140 -130.48928 742.60124
4155.0000 -136.06209 -129.73500 6.32710 2.42331 -129.72948 760.71778
4160.0000 -135.95604 -129.59711 6.35893 2.36140 -130.63563 770.44171
4165.0000 -137.11232 -131.73004 5.38228 2.28894 -131.69621 738.33509
4170.0000 -136.23323 -131.22287 5.01036 2.33443 -131.03050 736.91446
4175.0000 -136.40471 -130.79955 5.60516 2.32473 -131.17240 735.42105
4180.0000 -135.54913 -129.63132 5.91781 2.37622 -130.41879 778.72459
4185.0000 -135.44137 -129.04543 6.39594 2.43381 -129.57581 801.40597
4190.0000 -135.93898 -129.92731 6.01167 2.41263 -129.88582 786.72561
4195.0000 -136.04900 -130.81215 5.23685 2.37330 -130.46148 749.00676
4200.0000 -135.55683 -130.38319 5.17364 2.37297 -130.46635 753.75827
4205.0000 -134.89031 -129.58725 5.30306 2.40745 -129.96167 751.64127
4210.0000 -135.60120 -129.18101 6.42019 2.42157 -129.75496 801.23858
4215.0000 -135.85145 -130.89878 4.95267 2.40249 -130.03425 787.57354
4220.0000 -135.88430 -129.75209 6.13222 2.40486 -129.99959 800.40108
4225.0000 -135.97249 -129.56131 6.41118 2.37924 -130.37454 774.94526
4230.0000 -136.66485 -131.72438 4.94048 2.41767 -129.81197 787.60893
4235.0000 -134.36433 -128.36971 5.99461 2.41199 -129.89520 779.19732
4240.0000 -136.08003 -130.14197 5.93806 2.41438 -129.86017 772.29717
4245.0000 -135.15162 -129.86286 5.28875 2.44253 -129.44817 798.25537
4250.0000 -136.28450 -130.52887 5.75564 2.40005 -130.06994 784.59057
FREEZING PROCESS: loop number 18 T-loop= 739.00000000000000
main_MD> interactions number 18 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66955 -0.05760 0.86531
force_rgl> df(natom) 2.45364 3.95618 -2.97975
4255.0000 -136.64817 -130.99021 5.65796 2.30496 -131.46182 693.35988
4260.0000 -136.45188 -131.44450 5.00738 2.30990 -131.38947 694.03241
4265.0000 -136.47837 -131.42801 5.05036 2.31977 -131.24500 725.46552
4270.0000 -135.77287 -131.63403 4.13884 2.33715 -130.99060 733.25038
4275.0000 -135.78240 -130.66166 5.12074 2.28618 -131.73669 692.25816
4280.0000 -135.75223 -130.42786 5.32437 2.35306 -130.75777 745.65337
4285.0000 -136.80407 -131.69455 5.10953 2.29339 -131.63114 707.80200
4290.0000 -136.69572 -131.18604 5.50968 2.31977 -131.24503 742.45994
4295.0000 -136.90408 -131.64017 5.26391 2.30954 -131.39475 734.27728
4300.0000 -137.61038 -132.41810 5.19228 2.29121 -131.66305 690.68339
4305.0000 -137.37161 -133.08908 4.28253 2.19407 -133.08490 617.82221
4310.0000 -136.59977 -131.89818 4.70159 2.20701 -132.89555 661.24946
4315.0000 -137.19045 -131.58637 5.60409 2.28897 -131.69589 732.85620
4320.0000 -137.04558 -131.57348 5.47209 2.32176 -131.21590 718.85897
4325.0000 -135.80152 -130.28556 5.51596 2.34633 -130.85623 761.82186
4330.0000 -136.69506 -132.25684 4.43821 2.31932 -131.25156 732.99398
4335.0000 -136.11160 -131.30454 4.80706 2.30643 -131.44032 712.33754
4340.0000 -136.16310 -130.30425 5.85884 2.33547 -131.01517 741.19057
4345.0000 -137.28014 -131.01560 6.26453 2.39418 -130.15587 788.04556
4350.0000 -136.20919 -131.11312 5.09607 2.38131 -130.34421 787.14516
4355.0000 -135.65954 -129.59478 6.06476 2.40730 -129.96388 775.53012
4360.0000 -135.17334 -129.85902 5.31432 2.40214 -130.03937 778.68937
4365.0000 -135.98550 -130.76221 5.22329 2.38546 -130.28353 739.53013
4370.0000 -136.01290 -130.52176 5.49114 2.36627 -130.56443 739.41097
4375.0000 -135.23424 -129.01594 6.21830 2.40362 -130.01770 783.84336
4380.0000 -135.75188 -130.36755 5.38433 2.43491 -129.55966 811.69893
4385.0000 -136.17734 -130.75169 5.42565 2.36336 -130.60695 731.96820
4390.0000 -135.95891 -130.51131 5.44760 2.36227 -130.62289 713.64298
4395.0000 -135.47548 -130.47321 5.00226 2.34966 -130.80754 729.18578
4400.0000 -136.48376 -130.38710 6.09666 2.37348 -130.45890 784.56717
4405.0000 -136.09061 -129.60373 6.48688 2.39108 -130.20128 771.64570
4410.0000 -136.96199 -130.34656 6.61542 2.41437 -129.86026 786.47017
4415.0000 -136.27500 -130.46500 5.81001 2.40383 -130.01457 773.64404
4420.0000 -136.56807 -131.83384 4.73423 2.32462 -131.17408 743.34197
4425.0000 -135.85027 -131.21210 4.63817 2.28316 -131.78090 656.68986
4430.0000 -136.13620 -130.51312 5.62308 2.33016 -131.09295 723.57108
4435.0000 -135.85247 -130.29084 5.56163 2.35233 -130.76839 751.76999
4440.0000 -137.72774 -131.53363 6.19411 2.33897 -130.96394 747.63034
4445.0000 -137.36142 -132.75439 4.60702 2.26936 -131.98285 688.37875
4450.0000 -136.84372 -131.47861 5.36512 2.25965 -132.12496 672.89898
4455.0000 -136.92490 -131.03152 5.89338 2.29159 -131.65746 709.94897
4460.0000 -136.56406 -130.50861 6.05544 2.35697 -130.70055 742.84713
4465.0000 -136.80478 -131.32042 5.48436 2.35312 -130.75686 729.15782
4470.0000 -135.88831 -129.14421 6.74410 2.38664 -130.26619 776.70782
4475.0000 -136.54192 -130.43656 6.10536 2.41256 -129.88678 792.15222
4480.0000 -135.83275 -129.99118 5.84157 2.39453 -130.15072 787.23245
4485.0000 -135.19491 -129.56134 5.63357 2.48258 -128.86193 826.21905
4490.0000 -136.62724 -131.56360 5.06364 2.38594 -130.27645 774.53403
4495.0000 -136.56571 -130.03447 6.53124 2.37691 -130.40866 756.08085
4500.0000 -134.13905 -128.54514 5.59390 2.45489 -129.26723 825.93409
FREEZING PROCESS: loop number 19 T-loop= 714.00000000000000
main_MD> interactions number 19 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.90696 1.26448 -0.17857
force_rgl> df(natom) 0.33822 -1.71710 0.64325
4505.0000 -135.40482 -129.13552 6.26930 2.49239 -128.71838 843.19671
4510.0000 -136.14450 -131.70311 4.44140 2.37576 -130.42554 781.73086
4515.0000 -136.71198 -131.20709 5.50490 2.29850 -131.55628 702.23903
4520.0000 -136.29297 -131.41534 4.87763 2.29819 -131.56090 701.94785
4525.0000 -136.10949 -131.34272 4.76677 2.31702 -131.28523 728.69610
4530.0000 -135.28689 -130.83268 4.45421 2.36534 -130.57803 741.49881
4535.0000 -136.37641 -130.77754 5.59887 2.33265 -131.05644 712.50332
4540.0000 -136.05554 -130.40404 5.65150 2.36167 -130.63166 753.09109
4545.0000 -137.32574 -132.24537 5.08037 2.32804 -131.12396 709.46568
4550.0000 -136.96507 -133.15839 3.80668 2.22893 -132.57462 633.71283
4555.0000 -136.24538 -131.08735 5.15803 2.18619 -133.20023 618.65385
4560.0000 -136.43331 -132.33485 4.09846 2.31385 -131.33170 696.94169
4565.0000 -137.85476 -132.40934 5.44542 2.28623 -131.73596 683.95984
4570.0000 -136.51587 -131.97052 4.54534 2.28277 -131.78655 690.67186
4575.0000 -137.30812 -131.67337 5.63475 2.29768 -131.56832 717.55119
4580.0000 -136.75282 -131.63719 5.11562 2.28977 -131.68412 674.34035
4585.0000 -136.92620 -131.79917 5.12703 2.26877 -131.99148 683.80219
4590.0000 -136.69831 -131.16976 5.52855 2.29486 -131.60962 700.25958
4595.0000 -136.16663 -131.52900 4.63763 2.33359 -131.04272 733.55954
4600.0000 -137.19969 -132.40049 4.79920 2.27186 -131.94628 693.04074
4605.0000 -134.87690 -130.72633 4.15057 2.29941 -131.54307 706.76678
4610.0000 -136.98407 -131.03761 5.94645 2.36903 -130.52405 753.03625
4615.0000 -137.01366 -132.06597 4.94769 2.26917 -131.98567 657.01536
4620.0000 -136.38065 -130.94804 5.43261 2.31923 -131.25297 714.31773
4625.0000 -136.70970 -130.64067 6.06903 2.37007 -130.50881 756.22711
4630.0000 -134.85705 -129.95382 4.90323 2.38880 -130.23461 730.77944
4635.0000 -136.93542 -131.10148 5.83394 2.38740 -130.25513 762.15311
4640.0000 -135.69936 -130.94217 4.75719 2.32201 -131.21227 729.70977
4645.0000 -135.77160 -130.71712 5.05447 2.32817 -131.12207 694.76256
4650.0000 -136.42494 -132.35803 4.06691 2.29630 -131.58859 704.61094
4655.0000 -136.40036 -131.87145 4.52891 2.24863 -132.28634 655.26048
4660.0000 -135.91061 -130.74037 5.17024 2.34803 -130.83143 762.66757
4665.0000 -137.55305 -131.78576 5.76729 2.34863 -130.82258 752.00758
4670.0000 -136.29502 -130.95290 5.34212 2.25231 -132.23239 663.85761
4675.0000 -135.47091 -130.22408 5.24683 2.35814 -130.68343 723.61560
4680.0000 -136.45729 -130.48647 5.97082 2.36904 -130.52384 750.19802
4685.0000 -136.84193 -130.83868 6.00325 2.32418 -131.18040 713.12173
4690.0000 -136.50862 -131.13012 5.37851 2.31756 -131.27738 736.16827
4695.0000 -137.26243 -131.57047 5.69196 2.34007 -130.94785 753.88029
4700.0000 -136.26561 -130.21339 6.05222 2.33716 -130.99053 735.94862
4705.0000 -135.55214 -130.86888 4.68326 2.38161 -130.33989 769.10545
4710.0000 -135.17170 -129.73853 5.43316 2.36369 -130.60217 764.11124
4715.0000 -136.84231 -131.67053 5.17178 2.34384 -130.89263 739.03388
4720.0000 -136.95069 -131.86034 5.09035 2.27624 -131.88224 679.45923
4725.0000 -137.24461 -131.44189 5.80272 2.29653 -131.58522 668.22816
4730.0000 -136.74441 -131.80610 4.93831 2.27943 -131.83546 674.68632
4735.0000 -137.30661 -132.50372 4.80290 2.25882 -132.13709 689.74548
4740.0000 -138.06562 -132.92070 5.14492 2.23368 -132.50512 681.04882
4745.0000 -137.89232 -131.98809 5.90423 2.26589 -132.03366 662.96352
4750.0000 -136.61775 -131.51947 5.09828 2.28201 -131.79777 675.68018
FREEZING PROCESS: loop number 20 T-loop= 689.00000000000000
main_MD> interactions number 20 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37887 -1.26487 0.31037
force_rgl> df(natom) -1.16429 0.83894 -3.86093
4755.0000 -136.50438 -131.53169 4.97269 2.34553 -130.86799 715.37108
4760.0000 -136.15982 -132.20059 3.95922 2.30138 -131.51412 689.43537
4765.0000 -135.18886 -130.43108 4.75778 2.31313 -131.34223 718.56659
4770.0000 -136.94552 -133.04845 3.89707 2.24776 -132.29908 633.82884
4775.0000 -137.48302 -133.04631 4.43671 2.22383 -132.64923 629.29628
4780.0000 -136.76891 -132.15649 4.61241 2.23185 -132.53190 618.02764
4785.0000 -137.31329 -132.25446 5.05883 2.26114 -132.10317 652.03492
4790.0000 -135.95281 -130.81919 5.13362 2.29081 -131.66885 710.96506
4795.0000 -136.52828 -131.72356 4.80472 2.26670 -132.02188 678.48886
4800.0000 -136.06476 -130.46312 5.60164 2.32007 -131.24059 708.55725
4805.0000 -136.35500 -131.61656 4.73844 2.38667 -130.26574 760.12892
4810.0000 -135.76419 -130.83276 4.93143 2.31049 -131.38084 699.27555
4815.0000 -137.35309 -131.64426 5.70883 2.31667 -131.29036 733.04664
4820.0000 -136.31936 -130.68895 5.63041 2.36385 -130.59973 757.93983
4825.0000 -136.63001 -131.45632 5.17369 2.32938 -131.10441 748.44522
4830.0000 -136.39746 -131.70080 4.69666 2.31056 -131.37987 699.05668
4835.0000 -136.53226 -129.98755 6.54471 2.35896 -130.67144 717.54842
4840.0000 -136.43079 -130.68332 5.74747 2.37472 -130.44071 729.53951
4845.0000 -137.29510 -131.42740 5.86770 2.31311 -131.34253 709.70830
4850.0000 -136.65829 -130.88296 5.77534 2.33954 -130.95558 769.65531
4855.0000 -137.33378 -131.76762 5.56616 2.29267 -131.64169 717.70138
4860.0000 -137.70179 -132.77861 4.92318 2.26822 -131.99962 697.33865
4865.0000 -136.84582 -132.10556 4.74026 2.24072 -132.40210 686.84336
4870.0000 -137.53723 -132.70338 4.83385 2.25933 -132.12964 689.14660
4875.0000 -136.18591 -131.34762 4.83828 2.28448 -131.76153 702.51030
4880.0000 -136.18932 -131.17940 5.00992 2.33870 -130.96793 721.53889
4885.0000 -137.00607 -131.95424 5.05183 2.30414 -131.47374 687.34136
4890.0000 -136.47239 -131.92714 4.54524 2.22411 -132.64525 626.33829
4895.0000 -136.26107 -131.44129 4.81979 2.26254 -132.08265 675.86632
4900.0000 -135.09241 -130.11491 4.97750 2.33515 -131.01995 722.92596
4905.0000 -136.31264 -131.47893 4.83371 2.35178 -130.77650 699.62151
4910.0000 -136.88793 -132.40818 4.47975 2.26965 -131.97863 706.24312
4915.0000 -136.58132 -131.70147 4.87984 2.24394 -132.35488 643.18831
4920.0000 -137.03990 -132.61885 4.42105 2.28862 -131.70094 695.45846
4925.0000 -137.24898 -131.30782 5.94116 2.26556 -132.03856 667.65436
4930.0000 -135.95155 -130.81323 5.13832 2.32550 -131.16118 694.02988
4935.0000 -136.27834 -131.63352 4.64482 2.28866 -131.70039 690.46362
4940.0000 -136.97622 -131.23820 5.73801 2.28404 -131.76798 706.72684
4945.0000 -135.79631 -131.28090 4.51541 2.33654 -130.99951 717.20610
4950.0000 -135.99065 -131.09786 4.89279 2.32363 -131.18847 717.98578
4955.0000 -136.75437 -131.34067 5.41370 2.30701 -131.43172 698.93138
4960.0000 -134.76764 -129.46544 5.30219 2.33421 -131.03368 720.13659
4965.0000 -136.90208 -131.45109 5.45098 2.36599 -130.56846 752.31677
4970.0000 -135.33301 -130.37170 4.96131 2.36934 -130.51938 736.16054
4975.0000 -135.22330 -130.28511 4.93819 2.36373 -130.60157 717.78475
4980.0000 -136.12014 -130.64434 5.47580 2.38016 -130.36103 781.22355
4985.0000 -137.34480 -132.04185 5.30296 2.27859 -131.84784 690.66172
4990.0000 -137.03015 -132.03455 4.99561 2.23486 -132.48787 661.17305
4995.0000 -136.92561 -132.86088 4.06473 2.23127 -132.54044 651.18996
5000.0000 -137.23732 -131.87420 5.36312 2.23395 -132.50111 658.72586
FREEZING PROCESS: loop number 21 T-loop= 664.00000000000000
main_MD> interactions number 21 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65763 -2.83855 3.93704
force_rgl> df(natom) -1.37449 1.37313 -0.26524
5005.0000 -136.81154 -131.55069 5.26085 2.29134 -131.66110 714.18667
5010.0000 -136.57011 -131.18283 5.38728 2.33381 -131.03948 722.59511
5015.0000 -136.52070 -131.60868 4.91203 2.30359 -131.48188 677.16841
5020.0000 -136.59783 -132.57925 4.01858 2.25560 -132.18424 649.24984
5025.0000 -137.25724 -132.29676 4.96048 2.28055 -131.81908 670.17281
5030.0000 -136.42275 -131.64191 4.78084 2.26390 -132.06283 663.48709
5035.0000 -136.16605 -131.25129 4.91476 2.32834 -131.11957 714.87288
5040.0000 -137.13159 -131.59402 5.53756 2.28584 -131.74169 682.91677
5045.0000 -136.84843 -131.15537 5.69307 2.31354 -131.33618 718.70179
5050.0000 -136.73195 -132.02148 4.71047 2.23372 -132.50457 676.62234
5055.0000 -137.15708 -132.23554 4.92154 2.28232 -131.79311 692.10892
5060.0000 -138.35158 -132.78081 5.57077 2.26936 -131.98287 688.94388
5065.0000 -137.66935 -133.07246 4.59689 2.19433 -133.08104 599.77257
5070.0000 -136.94997 -132.74001 4.20996 2.19995 -132.99888 620.45241
5075.0000 -137.94620 -132.77951 5.16669 2.23658 -132.46274 649.35694
5080.0000 -136.93893 -132.39480 4.54413 2.23278 -132.51824 671.23549
5085.0000 -137.38767 -133.18692 4.20075 2.24949 -132.27373 687.40655
5090.0000 -137.04023 -132.77078 4.26945 2.24490 -132.34092 667.68182
5095.0000 -136.95958 -132.54306 4.41652 2.23410 -132.49896 657.27692
5100.0000 -137.79130 -132.86832 4.92298 2.20055 -132.99008 652.16282
5105.0000 -136.72292 -131.68095 5.04196 2.25877 -132.13787 653.85141
5110.0000 -136.86131 -132.19345 4.66786 2.27397 -131.91535 675.87056
5115.0000 -137.78490 -133.16784 4.61706 2.21003 -132.85135 645.77331
5120.0000 -137.21806 -133.01106 4.20699 2.19367 -133.09074 631.89535
5125.0000 -136.94801 -131.37234 5.57567 2.26920 -131.98527 690.04391
5130.0000 -136.38888 -131.99929 4.38958 2.27072 -131.96297 675.90140
5135.0000 -137.31491 -132.82645 4.48846 2.22057 -132.69699 643.85691
5140.0000 -137.65543 -133.42028 4.23515 2.19234 -133.11027 617.75704
5145.0000 -136.52639 -132.52773 3.99866 2.19877 -133.01604 627.64743
5150.0000 -137.08640 -131.99116 5.09523 2.26100 -132.10521 706.79921
5155.0000 -136.74491 -132.50931 4.23559 2.26067 -132.11006 686.75219
5160.0000 -136.49286 -131.31481 5.17806 2.26396 -132.06186 677.90271
5165.0000 -136.67112 -132.21639 4.45473 2.29669 -131.58287 721.89246
5170.0000 -137.02087 -133.29972 3.72115 2.26365 -132.06642 671.10212
5175.0000 -137.78252 -133.24304 4.53948 2.17649 -133.34222 627.05157
5180.0000 -136.96817 -131.68066 5.28752 2.23313 -132.51321 660.70852
5185.0000 -137.13009 -132.38790 4.74219 2.24602 -132.32447 684.73106
5190.0000 -137.79831 -132.69929 5.09902 2.25202 -132.23667 673.45395
5195.0000 -137.09231 -132.94717 4.14515 2.19526 -133.06754 621.82551
5200.0000 -136.07257 -131.84195 4.23062 2.23010 -132.55750 654.02881
5205.0000 -135.44710 -130.79253 4.65457 2.28243 -131.79151 655.94221
5210.0000 -137.04659 -131.29415 5.75244 2.34377 -130.89379 728.90657
5215.0000 -135.89898 -131.32514 4.57383 2.32184 -131.21472 718.41873
5220.0000 -135.69735 -130.18997 5.50738 2.30611 -131.44493 688.59686
5225.0000 -136.90378 -132.38590 4.51788 2.31476 -131.31830 707.03897
5230.0000 -137.32374 -132.92612 4.39762 2.23029 -132.55468 639.43630
5235.0000 -135.19165 -130.39799 4.79366 2.33737 -130.98733 735.65596
5240.0000 -135.92030 -130.91408 5.00622 2.33270 -131.05581 743.11552
5245.0000 -137.13460 -132.49373 4.64086 2.29347 -131.62991 698.48971
5250.0000 -137.25663 -131.50590 5.75073 2.22761 -132.59404 665.89149
FREEZING PROCESS: loop number 22 T-loop= 639.00000000000000
main_MD> interactions number 22 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.01568 1.47242 -0.00696
force_rgl> df(natom) -0.51274 0.24480 3.72229
5255.0000 -137.45004 -132.87255 4.57749 2.22848 -132.58119 665.94721
5260.0000 -136.84799 -132.08485 4.76314 2.25429 -132.20342 658.72913
5265.0000 -137.19972 -131.81841 5.38131 2.29784 -131.56603 699.86675
5270.0000 -137.22701 -132.91381 4.31319 2.19326 -133.09682 620.40166
5275.0000 -137.01357 -132.41556 4.59801 2.22554 -132.62426 651.82574
5280.0000 -137.07113 -132.51251 4.55862 2.21403 -132.79279 648.48099
5285.0000 -137.73281 -132.88381 4.84900 2.24365 -132.35913 662.99884
5290.0000 -138.64162 -134.92631 3.71531 2.10678 -134.36263 578.32436
5295.0000 -138.06932 -133.16832 4.90100 2.15407 -133.67042 605.23056
5300.0000 -137.03859 -131.88107 5.15752 2.21345 -132.80118 618.27526
5305.0000 -136.59553 -132.20897 4.38656 2.26821 -131.99977 679.33857
5310.0000 -137.39921 -132.44962 4.94959 2.25142 -132.24544 674.78063
5315.0000 -137.00715 -131.66321 5.34394 2.26449 -132.05417 678.59561
5320.0000 -136.62009 -131.81104 4.80906 2.26778 -132.00595 660.03056
5325.0000 -136.51870 -131.44210 5.07660 2.29987 -131.53634 708.31147
5330.0000 -137.89748 -133.30131 4.59617 2.22493 -132.63320 663.37884
5335.0000 -138.03686 -133.17637 4.86050 2.17849 -133.31299 617.45284
5340.0000 -137.70608 -132.60813 5.09795 2.21459 -132.78460 633.82892
5345.0000 -136.92847 -131.97661 4.95186 2.26756 -132.00917 669.66038
5350.0000 -137.66349 -133.19632 4.46718 2.21979 -132.70845 643.55649
5355.0000 -137.81195 -132.91428 4.89768 2.19021 -133.14146 623.19303
5360.0000 -137.83144 -132.76892 5.06252 2.21146 -132.83039 655.60097
5365.0000 -138.09222 -133.05877 5.03345 2.22175 -132.67973 651.87535
5370.0000 -137.21989 -132.06500 5.15489 2.24845 -132.28887 688.64642
5375.0000 -137.48787 -132.89263 4.59524 2.20890 -132.86778 620.95489
5380.0000 -136.95792 -132.62584 4.33208 2.23451 -132.49298 653.78346
5385.0000 -137.52842 -132.81245 4.71597 2.25904 -132.13397 673.77948
5390.0000 -137.19303 -132.77047 4.42256 2.21736 -132.74402 626.49856
5395.0000 -136.71240 -132.81545 3.89695 2.18043 -133.28454 592.41682
5400.0000 -138.27503 -133.16664 5.10839 2.18682 -133.19109 606.78456
5405.0000 -138.28316 -133.76376 4.51941 2.16523 -133.50700 643.25486
5410.0000 -137.87109 -132.75154 5.11955 2.16044 -133.57715 614.56182
5415.0000 -137.62697 -132.61078 5.01619 2.22811 -132.58662 662.14062
5420.0000 -138.54082 -133.79042 4.75040 2.19938 -133.00713 628.52086
5425.0000 -137.99685 -132.97930 5.01755 2.19543 -133.06505 646.90861
5430.0000 -138.02727 -133.90530 4.12197 2.14437 -133.81235 580.67672
5435.0000 -138.17408 -133.98190 4.19218 2.16872 -133.45590 611.72106
5440.0000 -136.77288 -132.62740 4.14548 2.18714 -133.18638 594.02605
5445.0000 -137.96789 -133.29926 4.66863 2.19804 -133.02680 608.46064
5450.0000 -136.75383 -132.78298 3.97085 2.20802 -132.88073 631.79729
5455.0000 -137.06468 -132.76006 4.30462 2.21825 -132.73092 617.98117
5460.0000 -137.14685 -132.37585 4.77100 2.24595 -132.32557 646.88701
5465.0000 -136.91228 -132.44794 4.46434 2.23860 -132.43309 649.08602
5470.0000 -137.30974 -132.39774 4.91200 2.26924 -131.98464 668.63170
5475.0000 -137.28556 -132.02016 5.26540 2.26500 -132.04664 690.41931
5480.0000 -137.78843 -133.13503 4.65340 2.19777 -133.03070 593.88238
5485.0000 -137.50886 -132.63188 4.87698 2.18819 -133.17093 606.23644
5490.0000 -138.41328 -133.60573 4.80755 2.17738 -133.32921 612.96896
5495.0000 -138.57638 -134.58854 3.98784 2.10573 -134.37801 547.66691
5500.0000 -138.38286 -134.19994 4.18292 2.10970 -134.31978 559.84483
FREEZING PROCESS: loop number 23 T-loop= 614.00000000000000
main_MD> interactions number 23 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43384 -0.02098 0.97080
force_rgl> df(natom) -0.54709 -0.99648 0.08164
5505.0000 -137.10064 -132.83767 4.26297 2.14316 -133.83002 577.63979
5510.0000 -137.10882 -132.23884 4.86998 2.21564 -132.76923 636.06718
5515.0000 -137.12217 -132.56517 4.55700 2.23426 -132.49666 661.54608
5520.0000 -137.49464 -133.08202 4.41262 2.20825 -132.87733 656.04646
5525.0000 -138.15155 -133.73174 4.41981 2.20115 -132.98122 644.62952
5530.0000 -136.41851 -132.23362 4.18490 2.18959 -133.15049 585.08820
5535.0000 -137.84669 -133.43611 4.41058 2.18865 -133.16419 596.06139
5540.0000 -138.54726 -134.34879 4.19847 2.11515 -134.24014 566.15632
5545.0000 -138.26716 -133.64401 4.62315 2.10784 -134.34708 571.67153
5550.0000 -138.69705 -135.37840 3.31864 2.11017 -134.31299 558.66748
5555.0000 -138.00885 -133.63400 4.37485 2.08968 -134.61283 533.47200
5560.0000 -138.57928 -133.69186 4.88742 2.15284 -133.68844 624.09707
5565.0000 -138.31179 -134.43676 3.87503 2.08694 -134.65303 575.49647
5570.0000 -137.41491 -132.32759 5.08732 2.16438 -133.51954 602.32210
5575.0000 -136.94296 -132.96887 3.97410 2.24387 -132.35602 654.89719
5580.0000 -137.79255 -133.11798 4.67457 2.20514 -132.92280 651.29230
5585.0000 -137.56858 -133.83701 3.73157 2.16665 -133.48625 606.18411
5590.0000 -137.60741 -133.67497 3.93244 2.14601 -133.78833 576.03083
5595.0000 -138.13671 -133.21586 4.92084 2.16526 -133.50668 610.49860
5600.0000 -138.00413 -132.82739 5.17674 2.20543 -132.91867 668.03880
5605.0000 -137.81847 -133.04821 4.77026 2.19921 -133.00971 627.69690
5610.0000 -138.91631 -134.48703 4.42928 2.15098 -133.71565 586.64499
5615.0000 -138.70262 -135.33790 3.36472 2.09452 -134.54202 546.22584
5620.0000 -139.04689 -134.71151 4.33538 2.09102 -134.59335 556.08819
5625.0000 -137.65341 -133.62183 4.03158 2.10651 -134.36651 570.80161
5630.0000 -138.40343 -133.31882 5.08461 2.18246 -133.25485 625.02827
5635.0000 -136.79058 -133.13277 3.65781 2.16556 -133.50221 555.57874
5640.0000 -138.68267 -133.44727 5.23540 2.17530 -133.35967 589.72823
5645.0000 -137.87498 -133.62331 4.25166 2.16027 -133.57969 603.64938
5650.0000 -138.27792 -134.09208 4.18585 2.15112 -133.71364 592.41007
5655.0000 -138.52819 -134.31577 4.21242 2.14335 -133.82727 581.94818
5660.0000 -138.06758 -133.54606 4.52152 2.14032 -133.87166 613.32431
5665.0000 -136.84707 -132.66317 4.18390 2.18079 -133.27928 637.75572
5670.0000 -138.56093 -133.89266 4.66827 2.18482 -133.22036 608.48868
5675.0000 -137.65787 -132.88182 4.77605 2.11491 -134.24366 578.21403
5680.0000 -138.02698 -133.04311 4.98387 2.20953 -132.85867 642.67857
5685.0000 -137.76332 -133.26450 4.49882 2.14969 -133.73458 622.12372
5690.0000 -137.58036 -132.35826 5.22210 2.18992 -133.14558 622.14964
5695.0000 -137.83972 -133.10133 4.73839 2.21420 -132.79020 635.23291
5700.0000 -137.02035 -132.08281 4.93754 2.23959 -132.41868 663.71162
5705.0000 -137.28137 -133.23401 4.04736 2.26001 -132.11970 669.65457
5710.0000 -138.39582 -134.48408 3.91174 2.12865 -134.04252 604.14084
5715.0000 -137.34709 -133.11901 4.22808 2.10761 -134.35039 589.05652
5720.0000 -137.47148 -133.01228 4.45920 2.17757 -133.32644 596.37175
5725.0000 -137.72409 -133.33223 4.39186 2.19904 -133.01219 622.86521
5730.0000 -137.63402 -133.54676 4.08725 2.17013 -133.43538 597.85779
5735.0000 -137.83088 -133.71143 4.11944 2.20418 -132.93694 646.39764
5740.0000 -138.35875 -134.71977 3.63898 2.12746 -134.05986 577.37701
5745.0000 -137.75785 -133.45217 4.30568 2.16784 -133.46891 592.62698
5750.0000 -138.39673 -132.89870 5.49803 2.19074 -133.13364 632.72316
FREEZING PROCESS: loop number 24 T-loop= 589.00000000000000
main_MD> interactions number 24 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17356 -1.22379 0.69442
force_rgl> df(natom) 1.19823 -3.16822 1.11543
5755.0000 -138.26009 -133.67789 4.58220 2.16587 -133.49773 590.91974
5760.0000 -138.31746 -134.47810 3.83936 2.10963 -134.32082 562.74652
5765.0000 -138.76795 -135.08373 3.68422 2.09774 -134.49490 539.25616
5770.0000 -139.22076 -134.97584 4.24492 2.05400 -135.13520 524.92774
5775.0000 -137.99193 -133.43370 4.55823 2.11726 -134.20913 569.04563
5780.0000 -138.07126 -134.18295 3.88831 2.15195 -133.70146 590.68062
5785.0000 -138.73624 -134.41406 4.32219 2.11208 -134.28498 569.60004
5790.0000 -138.38623 -134.70187 3.68436 2.13439 -133.95841 573.15697
5795.0000 -138.42257 -133.85906 4.56351 2.11466 -134.24726 556.74636
5800.0000 -138.20729 -133.57982 4.62747 2.13859 -133.89698 585.46132
5805.0000 -138.12791 -133.51129 4.61663 2.17193 -133.40904 601.78086
5810.0000 -137.28714 -132.29646 4.99068 2.19543 -133.06501 607.62415
5815.0000 -137.57545 -132.86367 4.71178 2.17789 -133.32168 615.37882
5820.0000 -137.41133 -133.30317 4.10816 2.18442 -133.22610 613.82591
5825.0000 -138.09170 -133.93593 4.15577 2.12811 -134.05032 551.16303
5830.0000 -137.42967 -133.60533 3.82434 2.17110 -133.42116 592.90473
5835.0000 -138.41065 -134.10114 4.30951 2.13900 -133.89094 569.49986
5840.0000 -137.96674 -134.17541 3.79133 2.15887 -133.60011 584.51646
5845.0000 -137.13970 -132.79735 4.34235 2.16040 -133.57770 606.95450
5850.0000 -137.83527 -132.76594 5.06934 2.23215 -132.52750 628.26742
5855.0000 -138.37471 -134.19200 4.18271 2.17184 -133.41023 607.04251
5860.0000 -137.34177 -133.66517 3.67660 2.12755 -134.05864 566.91699
5865.0000 -138.63341 -134.87408 3.75933 2.12669 -134.07122 586.36638
5870.0000 -138.23942 -133.94437 4.29505 2.11524 -134.23883 579.76608
5875.0000 -138.05995 -133.43714 4.62281 2.16259 -133.54572 606.78465
5880.0000 -137.89965 -133.59361 4.30604 2.20246 -132.96205 632.03641
5885.0000 -138.32161 -134.02127 4.30034 2.15185 -133.70287 615.59551
5890.0000 -138.23932 -134.02107 4.21826 2.13692 -133.92139 597.10301
5895.0000 -136.69990 -132.66950 4.03040 2.19721 -133.03896 633.94659
5900.0000 -137.32778 -132.21153 5.11625 2.22057 -132.69706 639.09300
5905.0000 -138.08592 -133.61926 4.46666 2.16064 -133.57429 601.73580
5910.0000 -138.62250 -134.62732 3.99518 2.11470 -134.24671 579.65343
5915.0000 -139.12866 -135.35200 3.77666 2.07434 -134.83737 542.11951
5920.0000 -138.98679 -134.50323 4.48356 2.06577 -134.96287 525.50336
5925.0000 -138.55715 -134.72908 3.82806 2.09110 -134.59215 568.17692
5930.0000 -138.17684 -134.20368 3.97316 2.08925 -134.61919 534.35900
5935.0000 -138.68089 -134.18664 4.49426 2.14859 -133.75057 574.40602
5940.0000 -137.67679 -134.13684 3.53996 2.12170 -134.14419 561.90927
5945.0000 -138.53429 -134.39325 4.14104 2.10345 -134.41132 575.16622
5950.0000 -138.82118 -134.70335 4.11783 2.05601 -135.10575 531.09879
5955.0000 -138.81065 -134.14438 4.66627 2.10550 -134.38133 583.45073
5960.0000 -137.66225 -133.61349 4.04876 2.15828 -133.60877 629.69117
5965.0000 -138.15360 -133.71521 4.43839 2.15179 -133.70372 610.93531
5970.0000 -137.66720 -133.81390 3.85330 2.16637 -133.49036 620.28951
5975.0000 -137.77060 -133.17093 4.59968 2.18252 -133.25391 635.36836
5980.0000 -139.02354 -134.76795 4.25559 2.12035 -134.16391 601.25691
5985.0000 -138.63630 -134.41340 4.22290 2.07567 -134.81801 544.35931
5990.0000 -138.27730 -134.41500 3.86230 2.11560 -134.23350 550.24833
5995.0000 -139.05294 -135.36156 3.69138 2.09875 -134.48008 536.32153
6000.0000 -137.92876 -133.80010 4.12866 2.10349 -134.41081 538.83373
FREEZING PROCESS: loop number 25 T-loop= 564.00000000000000
main_MD> interactions number 25 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17396 1.00233 -3.29540
force_rgl> df(natom) 0.08636 -0.58284 -2.36576
6005.0000 -138.72626 -134.15643 4.56984 2.14084 -133.86401 586.65388
6010.0000 -138.73299 -133.97232 4.76067 2.11742 -134.20692 572.98103
6015.0000 -137.67919 -133.54157 4.13762 2.10480 -134.39154 545.15822
6020.0000 -138.31281 -133.87635 4.43646 2.14348 -133.82544 581.55921
6025.0000 -138.28285 -134.36225 3.92060 2.13299 -133.97893 596.98691
6030.0000 -137.62704 -133.06584 4.56120 2.13804 -133.90501 595.15014
6035.0000 -138.18896 -133.58767 4.60129 2.20192 -132.96994 648.82891
6040.0000 -138.76873 -135.28124 3.48749 2.09271 -134.56861 541.47580
6045.0000 -138.49807 -135.01095 3.48711 2.07671 -134.80270 516.42816
6050.0000 -138.90729 -134.57053 4.33676 2.08078 -134.74319 533.85603
6055.0000 -139.79882 -136.36871 3.43011 2.02588 -135.54681 542.83868
6060.0000 -140.13521 -136.21840 3.91681 1.99109 -136.05604 493.21218
6065.0000 -139.87106 -136.04451 3.82654 1.99684 -135.97183 498.94833
6070.0000 -139.51308 -135.84787 3.66520 2.04086 -135.32755 555.69829
6075.0000 -138.78518 -134.87120 3.91398 2.03891 -135.35599 520.97765
6080.0000 -138.19289 -134.16812 4.02476 2.12641 -134.07525 576.83535
6085.0000 -138.88811 -135.03123 3.85689 2.09355 -134.55621 555.86071
6090.0000 -137.99088 -133.88661 4.10427 2.11477 -134.24570 596.26285
6095.0000 -138.88053 -134.22869 4.65184 2.16098 -133.56921 611.47724
6100.0000 -137.90973 -134.06306 3.84666 2.13769 -133.91012 594.20185
6105.0000 -138.84700 -135.12121 3.72579 2.10281 -134.42071 556.88144
6110.0000 -138.70819 -134.41226 4.29593 2.08966 -134.61317 548.14352
6115.0000 -139.46549 -135.10253 4.36297 2.07528 -134.82372 562.64387
6120.0000 -138.92304 -134.78712 4.13592 2.04596 -135.25278 545.97021
6125.0000 -137.67454 -133.75894 3.91560 2.08729 -134.64786 540.46346
6130.0000 -138.50578 -134.35568 4.15010 2.13849 -133.89852 595.91243
6135.0000 -138.25256 -134.74740 3.50517 2.05351 -135.14229 505.26708
6140.0000 -137.72130 -133.03576 4.68554 2.12536 -134.09056 558.74982
6145.0000 -137.94633 -133.44024 4.50609 2.19124 -133.12638 647.50908
6150.0000 -137.79670 -133.74399 4.05271 2.15345 -133.67954 614.13629
6155.0000 -138.33222 -134.28303 4.04919 2.16302 -133.53945 587.72450
6160.0000 -138.36983 -133.84469 4.52514 2.11366 -134.26193 552.92388
6165.0000 -138.78602 -134.33580 4.45023 2.13046 -134.01594 563.66019
6170.0000 -138.37288 -133.72526 4.64762 2.12191 -134.14115 575.21909
6175.0000 -138.26139 -134.63111 3.63028 2.11692 -134.21413 582.33224
6180.0000 -138.78425 -133.90981 4.87445 2.14343 -133.82607 580.10934
6185.0000 -138.01092 -134.46243 3.54849 2.10139 -134.44154 563.24427
6190.0000 -139.52796 -135.00035 4.52762 2.08075 -134.74357 563.47700
6195.0000 -138.65824 -133.41764 5.24060 2.13970 -133.88068 609.37615
6200.0000 -138.56820 -134.43595 4.13225 2.13937 -133.88553 616.00617
6205.0000 -137.34939 -133.47904 3.87035 2.16576 -133.49934 590.20588
6210.0000 -139.26012 -134.92339 4.33672 2.12758 -134.05819 584.42396
6215.0000 -138.61831 -134.29610 4.32221 2.09454 -134.54175 535.37038
6220.0000 -138.38327 -134.19908 4.18419 2.15574 -133.64595 576.81816
6225.0000 -138.19606 -135.22769 2.96837 2.08918 -134.62015 538.32318
6230.0000 -139.04114 -134.36684 4.67430 2.08775 -134.64119 531.78396
6235.0000 -138.11500 -134.60663 3.50837 2.07725 -134.79483 539.98333
6240.0000 -137.91276 -133.89335 4.01941 2.11965 -134.17416 561.90675
6245.0000 -137.75866 -133.63112 4.12754 2.15855 -133.60489 609.26680
6250.0000 -138.13097 -133.95596 4.17501 2.15193 -133.70174 584.37394
FREEZING PROCESS: loop number 26 T-loop= 539.00000000000000
main_MD> interactions number 26 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53291 -1.07917 2.20925
force_rgl> df(natom) 2.03405 0.97586 0.62973
6255.0000 -138.47006 -134.71097 3.75909 2.10787 -134.34663 564.69234
6260.0000 -138.20450 -134.53039 3.67411 2.09486 -134.53704 537.08503
6265.0000 -138.35477 -134.18464 4.17012 2.09649 -134.51318 536.42591
6270.0000 -139.85147 -135.52403 4.32744 2.08252 -134.71764 536.30335
6275.0000 -139.42577 -136.30448 3.12129 2.02072 -135.62225 496.03729
6280.0000 -140.04690 -135.94596 4.10094 2.01614 -135.68924 507.73494
6285.0000 -139.02445 -135.77719 3.24726 2.02378 -135.57744 505.67261
6290.0000 -140.22384 -136.37693 3.84691 2.00258 -135.88781 479.87037
6295.0000 -139.05233 -135.02712 4.02521 1.98666 -136.12079 491.28323
6300.0000 -138.57845 -134.90507 3.67338 2.07715 -134.79636 549.42019
6305.0000 -138.28938 -134.18727 4.10211 2.05275 -135.15349 488.58064
6310.0000 -137.92702 -134.64095 3.28608 2.08658 -134.65830 547.22796
6315.0000 -137.41714 -134.07458 3.34256 2.11950 -134.17639 550.71145
6320.0000 -138.92146 -134.59053 4.33093 2.09853 -134.48337 538.92154
6325.0000 -138.98637 -134.85635 4.13002 2.07831 -134.77933 545.99510
6330.0000 -139.02049 -134.81917 4.20132 2.08052 -134.74691 554.89786
6335.0000 -137.72408 -134.00065 3.72343 2.11444 -134.25046 587.20712
6340.0000 -139.15152 -135.20173 3.94980 2.12010 -134.16768 571.15409
6345.0000 -138.75226 -135.03466 3.71760 2.04267 -135.30104 496.23633
6350.0000 -138.48470 -134.03577 4.44893 2.12311 -134.12360 566.32108
6355.0000 -138.49740 -134.59566 3.90174 2.08673 -134.65614 548.84639
6360.0000 -139.17374 -135.24000 3.93374 2.07696 -134.79906 548.61902
6365.0000 -139.75916 -135.70712 4.05204 2.03721 -135.38096 526.70167
6370.0000 -139.16806 -135.22375 3.94431 2.02803 -135.51532 508.63609
6375.0000 -139.36791 -135.05766 4.31026 2.05120 -135.17608 526.71504
6380.0000 -139.96321 -136.24117 3.72203 2.05147 -135.17212 532.55077
6385.0000 -139.66579 -136.07778 3.58801 1.95632 -136.56498 447.25806
6390.0000 -139.35165 -135.70571 3.64594 2.02916 -135.49869 510.54921
6395.0000 -138.47549 -134.57798 3.89751 2.07737 -134.79310 554.81399
6400.0000 -139.33649 -135.67837 3.65812 2.04694 -135.23841 541.86383
6405.0000 -139.65561 -135.93358 3.72203 2.00570 -135.84219 507.50932
6410.0000 -139.81841 -135.85290 3.96551 2.02670 -135.53468 515.20472
6415.0000 -139.43503 -135.74588 3.68915 1.99397 -136.01385 487.93227
6420.0000 -138.76879 -135.52029 3.24851 2.01106 -135.76367 506.25269
6425.0000 -139.34660 -134.94519 4.40141 2.04201 -135.31061 547.60001
6430.0000 -139.16225 -135.34127 3.82098 2.04688 -135.23931 545.03419
6435.0000 -138.13661 -134.44282 3.69379 2.06589 -134.96112 581.82864
6440.0000 -138.67668 -134.58720 4.08948 2.08158 -134.73147 548.43530
6445.0000 -138.42827 -134.34707 4.08120 2.12099 -134.15453 581.61277
6450.0000 -138.48823 -134.94278 3.54545 2.09947 -134.46965 566.95959
6455.0000 -138.92704 -135.46352 3.46352 2.00569 -135.84230 486.77136
6460.0000 -138.98135 -135.59696 3.38439 2.00159 -135.90230 491.97738
6465.0000 -139.54706 -135.98514 3.56192 2.00260 -135.88753 477.50000
6470.0000 -138.55651 -134.79463 3.76188 2.02254 -135.59564 506.55248
6475.0000 -137.92622 -133.79142 4.13481 2.09319 -134.56146 544.25057
6480.0000 -138.91584 -135.03664 3.87920 2.10231 -134.42804 539.96654
6485.0000 -139.29088 -135.92810 3.36277 2.01677 -135.68012 505.15691
6490.0000 -138.39176 -134.67233 3.71943 2.04380 -135.28445 520.61263
6495.0000 -138.26147 -134.47057 3.79090 2.07721 -134.79539 548.46110
6500.0000 -139.26139 -135.37644 3.88495 2.06119 -135.02996 557.09856
FREEZING PROCESS: loop number 27 T-loop= 514.00000000000000
main_MD> interactions number 27 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60974 -3.53564 -2.43905
force_rgl> df(natom) -1.23673 0.02209 1.73525
6505.0000 -139.09909 -135.57542 3.52368 2.01180 -135.75278 485.01402
6510.0000 -138.81686 -135.12739 3.68947 2.06258 -135.00951 528.85030
6515.0000 -138.14869 -134.71982 3.42887 2.02777 -135.51903 481.87573
6520.0000 -137.66630 -133.71037 3.95593 2.11311 -134.26997 561.02845
6525.0000 -139.06121 -134.88732 4.17389 2.09772 -134.49520 562.04174
6530.0000 -139.01058 -135.56519 3.44539 2.04731 -135.23301 514.19387
6535.0000 -138.12356 -134.44555 3.67801 2.04795 -135.22373 511.58194
6540.0000 -140.49839 -136.06660 4.43179 2.05520 -135.11757 586.99823
6545.0000 -139.86713 -136.06189 3.80524 2.00385 -135.86920 539.63690
6550.0000 -140.35071 -136.96410 3.38660 1.95374 -136.60266 502.26945
6555.0000 -139.72674 -135.62460 4.10214 1.96837 -136.38848 507.82672
6560.0000 -138.85018 -135.90997 2.94020 2.01911 -135.64588 548.75276
6565.0000 -140.07764 -136.18284 3.89481 1.97938 -136.22734 518.46566
6570.0000 -140.05182 -136.62567 3.42615 1.95969 -136.51554 505.07028
6575.0000 -140.56939 -136.86905 3.70034 1.94099 -136.78932 484.66318
6580.0000 -140.55707 -136.51274 4.04433 1.93684 -136.85003 494.22648
6585.0000 -141.20896 -137.09414 4.11482 1.94794 -136.68760 501.72535
6590.0000 -139.59038 -135.67686 3.91352 1.95085 -136.64502 501.76663
6595.0000 -140.12252 -136.30851 3.81401 1.94465 -136.73571 494.91956
6600.0000 -140.30900 -136.40776 3.90124 1.97615 -136.27471 513.47348
6605.0000 -139.62625 -136.49266 3.13358 1.97427 -136.30214 515.18363
6610.0000 -139.30148 -135.57793 3.72356 1.99758 -135.96097 541.67877
6615.0000 -140.42971 -136.70543 3.72428 1.97944 -136.22649 507.10581
6620.0000 -140.86501 -136.87780 3.98721 1.94786 -136.68870 496.01969
6625.0000 -139.30073 -135.37108 3.92965 1.97448 -136.29912 519.13094
6630.0000 -139.43186 -135.63245 3.79942 2.05219 -135.16167 569.16170
6635.0000 -139.92349 -135.84731 4.07618 2.00376 -135.87055 544.89093
6640.0000 -139.84557 -135.72108 4.12450 1.98444 -136.15324 518.63198
6645.0000 -139.44490 -135.62399 3.82091 2.00055 -135.91744 524.85511
6650.0000 -138.97191 -135.01993 3.95198 2.05501 -135.12041 571.82785
6655.0000 -139.73175 -135.62569 4.10606 2.02107 -135.61714 551.92434
6660.0000 -140.27158 -136.95458 3.31700 1.99227 -136.03864 528.54068
6665.0000 -139.41948 -135.35447 4.06501 1.99608 -135.98292 540.30381
6670.0000 -140.27983 -135.76869 4.51114 1.99958 -135.93164 548.45316
6675.0000 -139.86343 -136.69879 3.16465 1.98043 -136.21194 527.46344
6680.0000 -140.19336 -136.87756 3.31580 1.92114 -137.07991 468.41691
6685.0000 -140.57470 -136.93232 3.64238 1.93585 -136.86458 483.21644
6690.0000 -140.37248 -136.67664 3.69584 1.93945 -136.81190 493.51758
6695.0000 -140.31230 -136.32166 3.99064 1.94570 -136.72030 489.50016
6700.0000 -140.58778 -136.66496 3.92281 1.95833 -136.53544 498.73009
6705.0000 -139.59314 -135.90433 3.68882 1.97425 -136.30251 529.47085
6710.0000 -139.47876 -135.41427 4.06449 2.00342 -135.87556 551.07689
6715.0000 -140.97134 -137.42081 3.55052 1.97355 -136.31268 522.16509
6720.0000 -140.15503 -136.51770 3.63733 1.92304 -137.05209 477.46972
6725.0000 -140.42729 -136.36453 4.06276 1.99529 -135.99449 551.08839
6730.0000 -140.51072 -137.29855 3.21217 1.95448 -136.59186 518.93064
6735.0000 -139.29906 -136.15019 3.14887 1.95119 -136.64005 502.04454
6740.0000 -140.09383 -135.87547 4.21835 2.01554 -135.69815 563.33182
6745.0000 -140.00337 -136.56041 3.44296 1.94084 -136.79144 517.01697
6750.0000 -140.27267 -136.31418 3.95849 1.95046 -136.65069 526.77538
FREEZING PROCESS: loop number 28 T-loop= 489.00000000000000
main_MD> interactions number 28 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66148 -1.45049 -0.31091
force_rgl> df(natom) 4.59153 5.13285 0.90051
6755.0000 -140.51366 -136.78759 3.72607 1.95914 -136.52361 520.18497
6760.0000 -141.42203 -138.62025 2.80177 1.89689 -137.43486 480.34248
6765.0000 -141.11696 -137.70663 3.41033 1.84199 -138.23836 422.07735
6770.0000 -140.98361 -138.32598 2.65763 1.86776 -137.86115 448.00829
6775.0000 -140.88034 -137.80309 3.07725 1.82731 -138.45325 417.20249
6780.0000 -141.28432 -137.49249 3.79183 1.88770 -137.56927 468.24236
6785.0000 -141.21685 -137.55485 3.66199 1.89581 -137.45064 478.15849
6790.0000 -141.00539 -138.07019 2.93520 1.90568 -137.30615 486.11027
6795.0000 -141.11906 -137.69028 3.42878 1.87150 -137.80643 451.74310
6800.0000 -140.24276 -137.07645 3.16630 1.91661 -137.14614 495.38143
6805.0000 -140.76314 -137.22245 3.54069 1.91494 -137.17065 495.77170
6810.0000 -140.66242 -136.60379 4.05864 1.92504 -137.02275 510.23881
6815.0000 -140.31985 -137.33512 2.98473 1.94398 -136.74558 517.34336
6820.0000 -140.25941 -136.95910 3.30031 1.91760 -137.13170 499.79106
6825.0000 -141.43006 -137.59055 3.83951 1.92081 -137.08473 490.95937
6830.0000 -140.87346 -137.08472 3.78873 1.88094 -137.66825 463.52873
6835.0000 -141.13889 -137.04772 4.09117 1.91815 -137.12367 496.25240
6840.0000 -141.01333 -137.75498 3.25835 1.88691 -137.58087 469.88169
6845.0000 -141.14575 -137.46046 3.68529 1.88350 -137.63076 460.73492
6850.0000 -140.71445 -136.42563 4.28883 1.93745 -136.84115 511.19422
6855.0000 -140.88938 -136.61983 4.26955 1.95601 -136.56944 529.14970
6860.0000 -140.83897 -137.16927 3.66970 1.93745 -136.84104 516.51766
6865.0000 -140.45557 -137.24538 3.21020 1.91509 -137.16846 494.44405
6870.0000 -139.86328 -136.37711 3.48616 1.93104 -136.93492 508.46634
6875.0000 -141.21064 -137.58200 3.62864 1.96071 -136.50063 527.05153
6880.0000 -140.66323 -137.09136 3.57187 1.91016 -137.24054 484.95048
6885.0000 -140.45412 -136.29573 4.15840 1.95458 -136.59040 522.77886
6890.0000 -140.82763 -137.43276 3.39488 1.91111 -137.22664 491.04250
6895.0000 -140.24934 -136.75284 3.49650 1.91537 -137.16436 498.83515
6900.0000 -140.20244 -136.14986 4.05258 1.96316 -136.46477 526.42140
6905.0000 -140.66352 -136.00178 4.66173 1.99076 -136.06076 557.62607
6910.0000 -140.47492 -137.02401 3.45090 1.95300 -136.61355 525.95134
6915.0000 -140.20530 -136.56623 3.63907 1.93969 -136.80836 516.09754
6920.0000 -140.92333 -137.77148 3.15185 1.93047 -136.94334 499.34711
6925.0000 -141.43271 -138.04871 3.38401 1.86265 -137.93599 442.24086
6930.0000 -141.18018 -137.76722 3.41296 1.88201 -137.65267 465.89726
6935.0000 -141.33209 -138.32054 3.01155 1.84231 -138.23367 430.74446
6940.0000 -141.81994 -138.62052 3.19942 1.84510 -138.19287 434.13178
6945.0000 -140.96921 -138.22839 2.74081 1.85487 -138.04979 441.88999
6950.0000 -140.66295 -136.94534 3.71762 1.86750 -137.86498 453.70733
6955.0000 -140.45184 -136.87867 3.57317 1.91058 -137.23441 498.11574
6960.0000 -140.54940 -136.66681 3.88259 1.91930 -137.10671 495.31245
6965.0000 -140.75280 -136.31613 4.43667 1.98845 -136.09457 564.69100
6970.0000 -141.04590 -137.06021 3.98569 1.92073 -137.08585 498.91445
6975.0000 -140.45032 -136.96209 3.48823 1.94058 -136.79537 510.29634
6980.0000 -140.81680 -136.61259 4.20421 1.93369 -136.89614 508.37849
6985.0000 -141.04466 -137.55921 3.48545 1.92896 -136.96540 506.03281
6990.0000 -141.63136 -137.91615 3.71521 1.87271 -137.78869 456.10974
6995.0000 -141.76893 -138.10067 3.66826 1.86820 -137.85477 453.97850
7000.0000 -140.75445 -137.50152 3.25292 1.89604 -137.44723 470.48328
FREEZING PROCESS: loop number 29 T-loop= 464.00000000000000
main_MD> interactions number 29 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25325 2.95691 1.94742
force_rgl> df(natom) 0.41986 -0.77083 2.28764
7005.0000 -141.54515 -138.58546 2.95969 1.85521 -138.04483 435.90891
7010.0000 -141.27468 -137.87865 3.39603 1.84804 -138.14986 430.74262
7015.0000 -141.17451 -137.87543 3.29907 1.88539 -137.60313 461.10733
7020.0000 -140.59592 -136.56587 4.03005 1.89221 -137.50334 468.04293
7025.0000 -141.13957 -138.29825 2.84132 1.87357 -137.77614 459.58485
7030.0000 -141.01780 -137.92412 3.09368 1.87145 -137.80721 456.81189
7035.0000 -141.13100 -138.02636 3.10464 1.84883 -138.13830 434.67206
7040.0000 -141.37107 -138.07190 3.29917 1.88700 -137.57952 465.83919
7045.0000 -141.16316 -136.65886 4.50431 1.88726 -137.57572 459.47834
7050.0000 -140.69444 -136.66356 4.03088 1.92808 -136.97828 506.92069
7055.0000 -140.98069 -137.38134 3.59934 1.90262 -137.35098 483.65308
7060.0000 -141.16112 -137.18475 3.97637 1.89710 -137.43170 484.11161
7065.0000 -140.33219 -137.01298 3.31921 1.90618 -137.29878 489.07660
7070.0000 -140.84724 -137.08920 3.75804 1.91167 -137.21848 484.48517
7075.0000 -141.29923 -137.68473 3.61450 1.90220 -137.35708 478.50776
7080.0000 -140.30873 -137.74081 2.56792 1.90164 -137.36528 477.73307
7085.0000 -141.04501 -137.47081 3.57419 1.86078 -137.96332 445.11698
7090.0000 -140.69116 -137.04842 3.64274 1.92492 -137.02450 499.60246
7095.0000 -140.88891 -137.77338 3.11553 1.88369 -137.62794 469.40623
7100.0000 -141.09864 -138.15181 2.94683 1.87324 -137.78097 457.42040
7105.0000 -141.05855 -137.79036 3.26819 1.87677 -137.72934 456.71242
7110.0000 -141.54246 -138.41977 3.12269 1.85716 -138.01628 440.23902
7115.0000 -141.44733 -138.17820 3.26913 1.85605 -138.03256 438.55747
7120.0000 -140.75650 -137.24490 3.51159 1.90926 -137.25370 484.57916
7125.0000 -140.63782 -137.32168 3.31613 1.88101 -137.66721 459.78026
7130.0000 -140.97785 -136.99147 3.98637 1.91124 -137.22472 488.66324
7135.0000 -140.93853 -137.80582 3.13271 1.90558 -137.30762 487.08857
7140.0000 -141.31945 -137.93497 3.38448 1.85687 -138.02059 443.78485
7145.0000 -141.12042 -137.38043 3.73999 1.90014 -137.38717 486.10921
7150.0000 -141.10717 -137.66313 3.44404 1.90077 -137.37794 484.74372
7155.0000 -140.62268 -137.26042 3.36227 1.89777 -137.42185 481.77837
7160.0000 -139.94417 -136.48161 3.46256 1.91971 -137.10081 489.95050
7165.0000 -141.16148 -137.36135 3.80014 1.90185 -137.36215 485.66765
7170.0000 -140.57255 -137.38238 3.19017 1.89839 -137.41279 469.32146
7175.0000 -141.23591 -138.06760 3.16831 1.86603 -137.88652 454.74193
7180.0000 -140.59001 -137.60958 2.98043 1.86732 -137.86766 451.47292
7185.0000 -141.69910 -138.70046 2.99864 1.85981 -137.97751 449.60625
7190.0000 -141.83117 -138.66270 3.16847 1.80575 -138.76886 398.16886
7195.0000 -141.08532 -137.79612 3.28920 1.85162 -138.09748 439.27905
7200.0000 -140.86544 -137.64012 3.22532 1.84946 -138.12910 435.44612
7205.0000 -140.97377 -137.17154 3.80222 1.88220 -137.64983 464.71372
7210.0000 -141.49079 -137.53685 3.95394 1.89945 -137.39727 481.53095
7215.0000 -141.51262 -138.44395 3.06867 1.87846 -137.70463 467.02652
7220.0000 -141.70862 -138.28124 3.42738 1.84406 -138.20802 431.14032
7225.0000 -140.38236 -136.84565 3.53671 1.87666 -137.73090 455.24017
7230.0000 -140.39686 -136.75323 3.64362 1.93312 -136.90453 515.72644
7235.0000 -140.93128 -137.63522 3.29606 1.92715 -136.99183 503.83707
7240.0000 -141.01995 -138.24040 2.77955 1.86657 -137.87865 445.36112
7245.0000 -139.81168 -136.19269 3.61899 1.89255 -137.49831 468.52063
7250.0000 -141.00098 -137.79216 3.20883 1.89401 -137.47701 471.43239
FREEZING PROCESS: loop number 30 T-loop= 439.00000000000000
main_MD> interactions number 30 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09960 1.14484 -0.02083
force_rgl> df(natom) 0.22216 1.59453 -0.75112
7255.0000 -141.08697 -137.99798 3.08899 1.87368 -137.77450 459.93415
7260.0000 -141.10752 -137.88778 3.21974 1.82764 -138.44840 411.51406
7265.0000 -140.95565 -137.72468 3.23097 1.88267 -137.64289 457.79355
7270.0000 -141.83378 -138.49009 3.34368 1.87688 -137.72763 461.96736
7275.0000 -141.52042 -138.59454 2.92588 1.80947 -138.71432 398.51567
7280.0000 -141.91302 -139.08648 2.82653 1.82287 -138.51825 410.79561
7285.0000 -141.30349 -138.64340 2.66010 1.80601 -138.76509 399.28949
7290.0000 -141.08762 -137.83456 3.25306 1.83709 -138.31015 425.23950
7295.0000 -141.07534 -137.57678 3.49856 1.88392 -137.62462 465.56667
7300.0000 -140.82409 -138.05097 2.77312 1.84808 -138.14931 436.07153
7305.0000 -141.31440 -137.90628 3.40812 1.85276 -138.08079 437.69481
7310.0000 -140.62978 -137.93721 2.69256 1.87846 -137.70455 463.90490
7315.0000 -140.41377 -136.94512 3.46865 1.87628 -137.73645 456.13561
7320.0000 -141.23585 -137.89768 3.33817 1.90761 -137.27783 493.14246
7325.0000 -141.66617 -138.46214 3.20403 1.84204 -138.23768 428.11102
7330.0000 -141.40023 -138.28438 3.11585 1.84860 -138.14169 439.84314
7335.0000 -140.89620 -138.35822 2.53798 1.84170 -138.24261 429.44051
7340.0000 -141.39147 -138.21692 3.17456 1.80633 -138.76033 394.43442
7345.0000 -140.90921 -137.90046 3.00875 1.87558 -137.74671 460.42220
7350.0000 -141.75955 -138.62327 3.13628 1.85030 -138.11669 429.34744
7355.0000 -141.27346 -138.14064 3.13283 1.81902 -138.57460 404.73279
7360.0000 -140.64313 -137.59401 3.04912 1.87788 -137.71311 460.77233
7365.0000 -140.77943 -137.72787 3.05156 1.88511 -137.60729 468.01609
7370.0000 -140.84224 -137.68353 3.15871 1.86048 -137.96778 451.76063
7375.0000 -140.77925 -137.80398 2.97526 1.88381 -137.62630 468.68050
7380.0000 -141.10090 -137.78017 3.32073 1.88109 -137.66601 465.88402
7385.0000 -141.50208 -137.97018 3.53190 1.85969 -137.97937 444.32752
7390.0000 -140.67551 -137.50962 3.16589 1.90482 -137.31871 482.31991
7395.0000 -140.48639 -138.08575 2.40065 1.89453 -137.46928 483.26056
7400.0000 -141.32766 -137.99758 3.33008 1.82959 -138.41987 414.38036
7405.0000 -140.95819 -138.02848 2.92972 1.87563 -137.74599 457.33664
7410.0000 -140.90380 -137.66723 3.23657 1.85771 -138.00829 438.02993
7415.0000 -141.63400 -138.06884 3.56515 1.87163 -137.80454 455.29480
7420.0000 -141.35100 -138.33773 3.01327 1.84359 -138.21495 425.82624
7425.0000 -141.29490 -137.95902 3.33588 1.82275 -138.52005 408.27446
7430.0000 -141.29437 -138.09684 3.19753 1.85208 -138.09075 432.81808
7435.0000 -141.12700 -137.41025 3.71675 1.86160 -137.95138 440.55239
7440.0000 -141.32429 -137.97286 3.35143 1.89522 -137.45930 472.22806
7445.0000 -140.90156 -138.09025 2.81131 1.86608 -137.88584 451.86705
7450.0000 -141.22547 -138.48798 2.73749 1.84603 -138.17920 429.80151
7455.0000 -140.81030 -137.77644 3.03385 1.84335 -138.21847 433.60860
7460.0000 -140.97887 -137.57212 3.40674 1.87130 -137.80930 457.86963
7465.0000 -141.20254 -137.45400 3.74854 1.89741 -137.42717 481.57367
7470.0000 -141.21908 -137.79729 3.42180 1.86293 -137.93182 449.75716
7475.0000 -141.23016 -137.98016 3.25000 1.86556 -137.89343 452.22756
7480.0000 -141.57184 -139.18331 2.38853 1.80957 -138.71299 399.92636
7485.0000 -141.11992 -138.34572 2.77420 1.77792 -139.17622 382.08745
7490.0000 -141.01236 -138.04272 2.96963 1.83422 -138.35209 421.72286
7495.0000 -141.14784 -138.43872 2.70912 1.84174 -138.24201 424.97681
7500.0000 -140.67238 -137.50345 3.16893 1.87037 -137.82293 453.94050
FREEZING PROCESS: loop number 31 T-loop= 414.00000000000000
main_MD> interactions number 31 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.95966 1.66592 1.20825
force_rgl> df(natom) 1.13285 -1.74515 1.50448
7505.0000 -141.93597 -138.41204 3.52393 1.86553 -137.89384 443.36476
7510.0000 -141.92170 -138.50536 3.41635 1.82788 -138.44489 416.30398
7515.0000 -141.57168 -138.87529 2.69639 1.81331 -138.65816 400.41471
7520.0000 -141.56441 -138.48679 3.07762 1.83345 -138.36337 417.24669
7525.0000 -141.05989 -138.33274 2.72715 1.83145 -138.39271 416.14547
7530.0000 -141.98718 -138.98177 3.00541 1.81278 -138.66587 397.23024
7535.0000 -141.38626 -137.81178 3.57448 1.84148 -138.24588 425.08351
7540.0000 -141.37683 -137.88032 3.49650 1.88931 -137.54582 473.36094
7545.0000 -140.95672 -138.19123 2.76549 1.88750 -137.57226 466.79611
7550.0000 -141.45622 -138.35890 3.09732 1.83098 -138.39958 417.60640
7555.0000 -141.12743 -137.95560 3.17183 1.85829 -137.99983 437.77572
7560.0000 -140.91408 -137.56425 3.34983 1.86895 -137.84372 449.06848
7565.0000 -141.69721 -138.58263 3.11458 1.83600 -138.32601 425.16110
7570.0000 -141.52290 -138.80389 2.71901 1.81035 -138.70156 402.84742
7575.0000 -141.59570 -138.58426 3.01144 1.79733 -138.89205 389.26634
7580.0000 -141.20178 -138.31288 2.88890 1.84162 -138.24378 424.48896
7585.0000 -141.15621 -138.22889 2.92733 1.84945 -138.12914 428.78896
7590.0000 -141.78906 -138.68837 3.10069 1.84204 -138.23764 416.81359
7595.0000 -140.93955 -138.33801 2.60153 1.81263 -138.66817 393.51449
7600.0000 -141.58085 -139.23753 2.34332 1.78855 -139.02060 377.52613
7605.0000 -142.08730 -138.82205 3.26525 1.80295 -138.80985 392.69536
7610.0000 -141.22939 -138.43672 2.79267 1.81242 -138.67127 405.42590
7615.0000 -141.67525 -138.24433 3.43092 1.84538 -138.18873 438.69909
7620.0000 -141.33825 -138.25888 3.07937 1.82741 -138.45177 413.74557
7625.0000 -141.00065 -137.30116 3.69948 1.89310 -137.49028 466.14140
7630.0000 -140.89848 -137.47069 3.42779 1.93464 -136.88223 504.84614
7635.0000 -141.45689 -138.74389 2.71300 1.83386 -138.35736 420.66555
7640.0000 -141.22442 -138.57232 2.65209 1.81520 -138.63047 397.46348
7645.0000 -141.58535 -138.98753 2.59782 1.81053 -138.69882 399.76544
7650.0000 -141.26172 -138.04172 3.22000 1.82787 -138.44508 417.00811
7655.0000 -141.84537 -138.91692 2.92845 1.81077 -138.69543 398.45946
7660.0000 -141.04513 -138.10270 2.94243 1.83079 -138.40235 418.49057
7665.0000 -141.08006 -137.91301 3.16705 1.85919 -137.98668 445.88241
7670.0000 -140.65769 -137.67807 2.97962 1.89011 -137.53402 467.85417
7675.0000 -140.80166 -137.70776 3.09390 1.88891 -137.55161 464.71653
7680.0000 -141.73034 -138.11971 3.61062 1.87973 -137.68591 459.58857
7685.0000 -141.51216 -138.69715 2.81501 1.82834 -138.43818 411.69859
7690.0000 -141.63280 -138.57776 3.05504 1.81639 -138.61306 396.84139
7695.0000 -141.79287 -138.13771 3.65516 1.81834 -138.58449 405.73164
7700.0000 -141.22720 -138.47551 2.75169 1.84371 -138.21324 430.22561
7705.0000 -141.57713 -138.37521 3.20191 1.82520 -138.48416 411.21513
7710.0000 -141.17489 -137.98062 3.19427 1.84771 -138.15465 433.82611
7715.0000 -141.18796 -137.82610 3.36186 1.86691 -137.87362 455.35156
7720.0000 -140.99383 -137.42728 3.56655 1.89562 -137.45333 474.88775
7725.0000 -141.36060 -137.90603 3.45457 1.88265 -137.64316 466.07473
7730.0000 -141.18946 -138.32523 2.86424 1.85224 -138.08833 432.99189
7735.0000 -141.80753 -138.87143 2.93609 1.82621 -138.46937 412.34779
7740.0000 -141.68720 -139.13155 2.55565 1.80236 -138.81847 389.46284
7745.0000 -141.87403 -138.82305 3.05098 1.80305 -138.80828 394.09796
7750.0000 -141.26518 -138.01300 3.25217 1.83833 -138.29191 423.29907
FREEZING PROCESS: loop number 32 T-loop= 389.00000000000000
main_MD> interactions number 32 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63947 0.54089 -1.07983
force_rgl> df(natom) -1.12318 -7.62993 -1.18564
7755.0000 -142.21049 -139.40445 2.80604 1.80350 -138.80184 388.14694
7760.0000 -141.34500 -138.75846 2.58654 1.77945 -139.15384 368.57373
7765.0000 -141.33711 -138.07811 3.25900 1.83151 -138.39176 417.34580
7770.0000 -141.52662 -138.52197 3.00465 1.84614 -138.17763 431.77432
7775.0000 -141.46539 -138.59788 2.86752 1.81240 -138.67144 401.15360
7780.0000 -141.81833 -138.97626 2.84207 1.80796 -138.73653 396.74182
7785.0000 -141.71777 -138.86076 2.85701 1.79688 -138.89865 382.49725
7790.0000 -141.20881 -138.52231 2.68651 1.82724 -138.45427 407.93675
7795.0000 -141.25145 -138.17294 3.07851 1.86013 -137.97282 439.89194
7800.0000 -141.90256 -139.40438 2.49818 1.82757 -138.44951 416.25116
7805.0000 -141.70737 -139.43901 2.26836 1.80288 -138.81086 397.60494
7810.0000 -141.88910 -139.25164 2.63746 1.76098 -139.42411 357.69393
7815.0000 -142.04459 -139.48874 2.55585 1.76920 -139.30376 360.92928
7820.0000 -141.96487 -139.14067 2.82420 1.76013 -139.43656 353.05810
7825.0000 -141.73592 -139.60302 2.13290 1.75739 -139.47663 349.02739
7830.0000 -141.52761 -138.51666 3.01095 1.80040 -138.84711 385.80344
7835.0000 -141.78755 -139.03855 2.74899 1.80059 -138.84437 386.20525
7840.0000 -141.89224 -138.90891 2.98333 1.80035 -138.84781 391.60947
7845.0000 -142.30935 -139.42887 2.88048 1.77011 -139.29056 362.92165
7850.0000 -141.95103 -139.38894 2.56209 1.76047 -139.43161 358.37032
7855.0000 -141.60998 -138.71164 2.89834 1.79715 -138.89468 382.94301
7860.0000 -141.37164 -138.85508 2.51656 1.80650 -138.75788 388.08328
7865.0000 -141.97937 -138.92037 3.05899 1.78359 -139.09318 370.48463
7870.0000 -141.33819 -138.46204 2.87615 1.80851 -138.72851 393.73225
7875.0000 -141.46443 -138.83205 2.63238 1.81432 -138.64335 406.73945
7880.0000 -141.48618 -138.94238 2.54380 1.80871 -138.72550 393.42990
7885.0000 -140.92024 -138.38257 2.53767 1.81490 -138.63492 402.69487
7890.0000 -141.54116 -138.90756 2.63360 1.81613 -138.61686 402.85947
7895.0000 -141.23617 -138.27426 2.96191 1.79851 -138.87476 383.23711
7900.0000 -141.35796 -138.63906 2.71889 1.82898 -138.42878 418.57594
7905.0000 -141.42588 -139.01428 2.41159 1.80707 -138.74956 391.56902
7910.0000 -141.78283 -138.97838 2.80445 1.80332 -138.80448 394.54550
7915.0000 -141.43239 -138.39805 3.03434 1.82477 -138.49044 411.52798
7920.0000 -141.11783 -138.55437 2.56346 1.80396 -138.79496 390.26809
7925.0000 -141.62913 -138.83784 2.79129 1.79830 -138.87791 381.71854
7930.0000 -141.57806 -138.82291 2.75515 1.80622 -138.76202 386.87350
7935.0000 -141.57491 -138.87489 2.70002 1.80780 -138.73877 389.23467
7940.0000 -141.58421 -138.56065 3.02356 1.77677 -139.19299 367.12699
7945.0000 -142.02009 -139.24436 2.77573 1.79378 -138.94403 385.95855
7950.0000 -141.96959 -139.38501 2.58457 1.75150 -139.56291 349.03822
7955.0000 -141.84763 -138.98508 2.86255 1.76589 -139.35223 359.93546
7960.0000 -141.73743 -139.08079 2.65665 1.76197 -139.40960 354.05971
7965.0000 -142.05475 -139.59282 2.46193 1.76635 -139.34550 360.58147
7970.0000 -141.58625 -138.41526 3.17099 1.76310 -139.39305 348.46896
7975.0000 -141.55803 -138.17336 3.38468 1.83107 -138.39828 421.66363
7980.0000 -141.12326 -138.35347 2.76979 1.84946 -138.12901 429.87042
7985.0000 -141.79712 -139.02570 2.77142 1.81283 -138.66515 402.31818
7990.0000 -141.11245 -138.45327 2.65918 1.82538 -138.48155 414.11037
7995.0000 -141.64102 -138.76182 2.87920 1.81699 -138.60437 402.58821
8000.0000 -142.34245 -139.56228 2.78017 1.78375 -139.09089 376.03068
FREEZING PROCESS: loop number 33 T-loop= 364.00000000000000
main_MD> interactions number 33 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38837 2.05432 -0.53584
force_rgl> df(natom) 0.12923 1.18995 0.31567
8005.0000 -142.21056 -139.97588 2.23468 1.74424 -139.66919 342.02746
8010.0000 -141.58614 -139.30214 2.28400 1.75400 -139.52626 346.64359
8015.0000 -142.16744 -139.24895 2.91849 1.77635 -139.19917 361.29300
8020.0000 -141.94611 -139.57545 2.37067 1.77135 -139.27243 367.22485
8025.0000 -141.96713 -139.03573 2.93140 1.78271 -139.10610 375.11696
8030.0000 -142.11850 -139.27457 2.84393 1.79257 -138.96178 382.89695
8035.0000 -141.91519 -139.43340 2.48179 1.76907 -139.30577 363.51264
8040.0000 -141.91549 -138.94616 2.96933 1.77002 -139.29177 359.35012
8045.0000 -141.64120 -138.39130 3.24990 1.82951 -138.42106 415.69056
8050.0000 -141.85695 -139.37943 2.47751 1.78291 -139.10316 371.43452
8055.0000 -141.54080 -138.85378 2.68702 1.77774 -139.17877 371.64606
8060.0000 -141.42591 -138.73850 2.68741 1.79804 -138.88174 390.22007
8065.0000 -141.74380 -138.48143 3.26237 1.78671 -139.04758 384.73188
8070.0000 -141.86180 -139.02248 2.83932 1.80092 -138.83961 395.23059
8075.0000 -142.01416 -139.21912 2.79504 1.77936 -139.15513 370.31649
8080.0000 -141.07624 -138.17431 2.90193 1.80171 -138.82804 386.51796
8085.0000 -141.79995 -139.23802 2.56194 1.78520 -139.06970 378.67576
8090.0000 -141.84994 -139.34153 2.50841 1.77020 -139.28926 359.09951
8095.0000 -142.07372 -139.64221 2.43150 1.76359 -139.38588 351.60189
8100.0000 -141.82895 -139.13722 2.69174 1.77200 -139.26280 364.36899
8105.0000 -141.96391 -139.71585 2.24806 1.76017 -139.43597 348.44294
8110.0000 -141.89074 -139.36390 2.52684 1.77211 -139.26121 361.81293
8115.0000 -141.83232 -139.09495 2.73737 1.77670 -139.19406 367.74063
8120.0000 -141.59326 -139.19594 2.39732 1.78975 -139.00303 377.04472
8125.0000 -141.78897 -138.84933 2.93964 1.79586 -138.91363 382.10799
8130.0000 -141.76502 -139.04964 2.71538 1.76933 -139.30187 359.03456
8135.0000 -141.69846 -138.91068 2.78778 1.78977 -139.00269 375.87013
8140.0000 -141.58552 -138.82854 2.75698 1.79365 -138.94598 386.87658
8145.0000 -141.80684 -139.55043 2.25640 1.77218 -139.26016 370.32328
8150.0000 -142.09589 -139.73000 2.36589 1.74486 -139.66010 342.21713
8155.0000 -142.25589 -139.84809 2.40780 1.74281 -139.69008 343.95084
8160.0000 -141.74723 -139.29487 2.45235 1.76731 -139.33147 356.08199
8165.0000 -142.76047 -140.42501 2.33546 1.73543 -139.79809 329.07066
8170.0000 -142.15536 -139.51955 2.63581 1.74172 -139.70610 339.52981
8175.0000 -142.45017 -139.89234 2.55783 1.74002 -139.73100 328.71863
8180.0000 -142.36101 -140.31184 2.04917 1.72356 -139.97182 319.38033
8185.0000 -142.12824 -139.54453 2.58371 1.72663 -139.92689 325.17122
8190.0000 -142.12760 -139.66301 2.46460 1.73887 -139.74784 336.82346
8195.0000 -142.30551 -139.37033 2.93518 1.74952 -139.59196 336.99771
8200.0000 -142.06211 -139.50010 2.56201 1.75159 -139.56165 343.74349
8205.0000 -142.04957 -139.75756 2.29202 1.74743 -139.62245 333.96367
8210.0000 -141.96206 -139.10346 2.85860 1.76004 -139.43786 350.58751
8215.0000 -141.45826 -139.15150 2.30677 1.77833 -139.17016 372.67421
8220.0000 -141.79852 -139.64705 2.15147 1.74615 -139.64128 340.69237
8225.0000 -142.14771 -139.82673 2.32098 1.72150 -140.00204 313.09563
8230.0000 -141.90183 -139.06453 2.83731 1.74047 -139.72441 326.57607
8235.0000 -141.34207 -138.60401 2.73807 1.77894 -139.16121 365.58004
8240.0000 -141.55793 -138.87844 2.67949 1.79500 -138.92622 381.83207
8245.0000 -141.84218 -138.45323 3.38895 1.82926 -138.42477 417.40007
8250.0000 -141.55466 -138.84267 2.71199 1.81612 -138.61707 406.88674
FREEZING PROCESS: loop number 34 T-loop= 339.00000000000000
main_MD> interactions number 34 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03356 -0.07793 1.20632
force_rgl> df(natom) 0.55994 0.08052 -0.33889
8255.0000 -142.55668 -139.86421 2.69247 1.76197 -139.40958 354.04284
8260.0000 -142.23677 -139.95458 2.28219 1.72422 -139.96228 322.12886
8265.0000 -142.11596 -139.81186 2.30410 1.74461 -139.66374 331.74710
8270.0000 -142.16224 -140.11002 2.05222 1.72445 -139.95878 313.94593
8275.0000 -142.28600 -140.16120 2.12480 1.72862 -139.89786 317.88475
8280.0000 -142.33896 -139.85356 2.48540 1.71457 -140.10341 305.46513
8285.0000 -142.50845 -139.72392 2.78453 1.73125 -139.85925 320.86362
8290.0000 -142.36168 -139.65899 2.70268 1.74407 -139.67165 338.76860
8295.0000 -141.89403 -139.64662 2.24740 1.75262 -139.54647 347.40676
8300.0000 -142.34540 -140.17701 2.16839 1.73273 -139.83763 329.46038
8305.0000 -142.30484 -139.88783 2.41700 1.70067 -140.30689 290.58693
8310.0000 -142.23761 -139.71684 2.52077 1.74379 -139.67580 338.07341
8315.0000 -142.27875 -139.58838 2.69037 1.74941 -139.59343 340.56759
8320.0000 -142.58554 -140.29094 2.29460 1.74154 -139.70863 335.16618
8325.0000 -142.14132 -139.44285 2.69847 1.71123 -140.15229 304.07078
8330.0000 -141.85422 -139.31797 2.53625 1.75348 -139.53395 342.01672
8335.0000 -142.64428 -140.41231 2.23197 1.74393 -139.67377 336.43556
8340.0000 -142.23682 -139.93364 2.30317 1.71402 -140.11144 311.05000
8345.0000 -142.11280 -139.98599 2.12682 1.71657 -140.07424 305.92639
8350.0000 -142.25834 -139.98259 2.27576 1.73300 -139.83368 324.77920
8355.0000 -142.35934 -139.46877 2.89057 1.76350 -139.38726 360.33532
8360.0000 -141.97329 -139.86536 2.10793 1.74293 -139.68834 335.43462
8365.0000 -142.27463 -140.05230 2.22233 1.73353 -139.82595 321.77174
8370.0000 -142.05914 -139.29577 2.76337 1.73988 -139.73298 325.30684
8375.0000 -141.64572 -139.12951 2.51621 1.78147 -139.12429 369.58951
8380.0000 -141.89301 -139.15421 2.73880 1.78153 -139.12328 366.85786
8385.0000 -142.06817 -139.88056 2.18761 1.76872 -139.31088 362.85881
8390.0000 -142.51977 -140.30669 2.21308 1.71984 -140.02628 313.89310
8395.0000 -142.19986 -139.86935 2.33051 1.71929 -140.03431 309.96958
8400.0000 -142.33280 -140.09398 2.23882 1.71197 -140.14154 302.82473
8405.0000 -142.48307 -139.88159 2.60148 1.71316 -140.12412 307.12230
8410.0000 -142.67805 -140.35460 2.32344 1.71915 -140.03635 314.42739
8415.0000 -142.67303 -140.70511 1.96792 1.68636 -140.51642 292.26658
8420.0000 -142.37340 -140.24978 2.12363 1.69296 -140.41980 289.37417
8425.0000 -142.59428 -140.41374 2.18054 1.70503 -140.24309 302.88681
8430.0000 -142.17445 -139.68079 2.49366 1.71324 -140.12286 306.91670
8435.0000 -142.24047 -139.43845 2.80202 1.74598 -139.64365 332.77009
8440.0000 -142.12671 -139.34766 2.77906 1.76838 -139.31585 362.89566
8445.0000 -142.13681 -139.98431 2.15250 1.74685 -139.63091 342.45660
8450.0000 -142.32277 -139.64891 2.67386 1.73655 -139.78175 330.87823
8455.0000 -142.40740 -139.58260 2.82480 1.76341 -139.38853 351.34093
8460.0000 -142.25009 -140.05698 2.19310 1.73908 -139.74475 334.42381
8465.0000 -142.23004 -139.84667 2.38337 1.74234 -139.69698 336.36021
8470.0000 -141.87098 -139.31713 2.55384 1.76837 -139.31595 366.03088
8475.0000 -142.14088 -139.92089 2.21999 1.76050 -139.43120 351.92092
8480.0000 -142.07871 -139.66656 2.41215 1.77443 -139.22726 364.69434
8485.0000 -142.22967 -140.08396 2.14571 1.73974 -139.73505 331.94488
8490.0000 -142.47060 -139.88289 2.58771 1.72492 -139.95199 316.42467
8495.0000 -142.23838 -139.95014 2.28824 1.71675 -140.07162 324.49696
8500.0000 -142.16991 -139.67620 2.49371 1.73956 -139.73760 334.01639
FREEZING PROCESS: loop number 35 T-loop= 314.00000000000000
main_MD> interactions number 35 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03520 0.16968 -1.30649
force_rgl> df(natom) -1.69210 1.81980 -0.23988
8505.0000 -142.21006 -139.98474 2.22531 1.73253 -139.84055 332.58782
8510.0000 -142.51199 -140.26849 2.24350 1.71103 -140.15529 307.82696
8515.0000 -142.51816 -140.23442 2.28375 1.68408 -140.54975 278.15144
8520.0000 -142.44334 -140.33421 2.10913 1.70747 -140.20738 306.70057
8525.0000 -142.61281 -140.32192 2.29088 1.68213 -140.57825 280.53877
8530.0000 -142.17436 -140.14237 2.03199 1.69986 -140.31874 296.78307
8535.0000 -142.84283 -140.66885 2.17397 1.69315 -140.41693 291.27659
8540.0000 -142.63180 -140.48460 2.14720 1.69074 -140.45230 290.19824
8545.0000 -142.83120 -140.72824 2.10297 1.66992 -140.75707 266.13605
8550.0000 -142.40347 -140.21679 2.18669 1.67531 -140.67813 272.85111
8555.0000 -142.76674 -139.97925 2.78749 1.71566 -140.08756 312.65694
8560.0000 -142.54234 -140.38520 2.15714 1.71498 -140.09746 312.76503
8565.0000 -142.66712 -140.40468 2.26244 1.68487 -140.53822 282.57187
8570.0000 -142.39100 -140.11379 2.27721 1.69081 -140.45125 289.88507
8575.0000 -142.39000 -140.18168 2.20832 1.71951 -140.03122 315.70522
8580.0000 -142.38118 -140.46130 1.91988 1.68531 -140.53169 284.74164
8585.0000 -142.21354 -139.95557 2.25797 1.70666 -140.21917 304.90936
8590.0000 -142.19331 -139.65468 2.53863 1.74408 -139.67157 339.54585
8595.0000 -142.24487 -139.77887 2.46600 1.74058 -139.72267 336.41801
8600.0000 -142.25737 -139.98070 2.27667 1.73382 -139.82171 323.24746
8605.0000 -142.54960 -140.40844 2.14116 1.70463 -140.24902 297.90599
8610.0000 -142.57143 -140.46845 2.10298 1.68416 -140.54850 281.11382
8615.0000 -142.65180 -140.73460 1.91720 1.67906 -140.62324 277.28298
8620.0000 -142.79284 -140.30605 2.48679 1.69086 -140.45050 285.84857
8625.0000 -142.49764 -140.36903 2.12861 1.70604 -140.22830 293.04734
8630.0000 -142.22425 -140.10069 2.12356 1.70540 -140.23772 306.59464
8635.0000 -141.93848 -139.95327 1.98521 1.71998 -140.02420 317.23376
8640.0000 -142.31885 -139.85328 2.46557 1.72696 -139.92213 320.30774
8645.0000 -142.75957 -140.13827 2.62130 1.69412 -140.40272 291.65722
8650.0000 -142.79789 -140.37870 2.41919 1.72424 -139.96188 320.92660
8655.0000 -142.20072 -139.96503 2.23569 1.71527 -140.09323 309.42415
8660.0000 -142.27396 -139.62437 2.64960 1.74334 -139.68231 338.84129
8665.0000 -141.72650 -139.08927 2.63723 1.75931 -139.44864 354.82722
8670.0000 -141.66372 -138.84908 2.81463 1.78710 -139.04184 382.23655
8675.0000 -142.16381 -139.46349 2.70032 1.77455 -139.22559 369.55094
8680.0000 -142.38039 -140.00630 2.37409 1.74492 -139.65919 339.47410
8685.0000 -142.55031 -140.21129 2.33902 1.71952 -140.03098 314.43106
8690.0000 -142.34293 -139.82310 2.51984 1.71960 -140.02983 315.77204
8695.0000 -142.53958 -140.15047 2.38911 1.72783 -139.90931 328.89995
8700.0000 -142.31046 -140.40767 1.90279 1.68797 -140.49278 284.36377
8705.0000 -142.46719 -140.29726 2.16992 1.70384 -140.26058 300.84765
8710.0000 -142.14579 -140.05726 2.08852 1.71461 -140.10284 310.83064
8715.0000 -142.20967 -139.97578 2.23389 1.72917 -139.88973 322.03043
8720.0000 -142.33812 -139.89364 2.44448 1.72050 -140.01670 315.00746
8725.0000 -142.12803 -139.73009 2.39794 1.74694 -139.62970 340.95419
8730.0000 -142.46233 -140.20066 2.26168 1.72267 -139.98495 319.81521
8735.0000 -142.49762 -140.43462 2.06299 1.69661 -140.36629 296.45565
8740.0000 -142.61610 -140.49682 2.11928 1.70486 -140.24558 302.13890
8745.0000 -142.31735 -140.26666 2.05070 1.69307 -140.41817 290.82160
8750.0000 -142.00387 -139.72997 2.27390 1.73827 -139.75659 330.83466
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 11 [min], 37.4028083 [s].
main_MD> Deallocating global variables
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