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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_41/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_41.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 = 41 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 41 4100
main_MD> Size of nv and nvoiz: 41 4100
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 = 41
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> -6.2001991483330975E-003 -0.11776763442056128 -0.12670936690103635 initial drift of cluster / NP1 for coalescence
init> 0.36979712952427707 0.36995796325473246 0.33667443262422592 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7883255147221676E-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) 2.82478 -0.80926 0.41729
force_rgl> df(natom) -0.76171 -1.63707 2.38095
preparo> THERMALIZATION PROCESS AT 1249.1013185817008
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -85.608356729979434 8.3397803108030875 -93.948137040782527 6.4626962438694513E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1220.0000000000000
main_MD> interactions number 1 at Temperature= 1220.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56126 -0.36733 1.46120
force_rgl> df(natom) -1.85345 -0.71763 -2.11789
5.0000 -93.20738 -87.32992 5.87746 2.86698 -86.86097 1261.30546
10.0000 -94.27083 -87.65954 6.61129 2.90266 -86.43676 1269.34172
15.0000 -93.03477 -87.21437 5.82040 2.78612 -87.82250 1134.56236
20.0000 -95.09145 -89.05274 6.03870 2.73880 -88.38514 1159.98004
25.0000 -94.64403 -89.26407 5.37996 2.64478 -89.50306 1098.21739
30.0000 -95.59904 -89.72527 5.87377 2.71857 -88.62560 1091.66057
35.0000 -94.19627 -86.79334 7.40294 2.84280 -87.14853 1178.33855
40.0000 -94.82424 -90.23126 4.59298 2.67870 -89.09973 1141.04010
45.0000 -95.29783 -88.20162 7.09621 2.77456 -87.95996 1158.26626
50.0000 -94.28643 -88.46170 5.82473 2.74270 -88.33871 1174.81273
55.0000 -93.79924 -87.00038 6.79886 2.79020 -87.77391 1162.93873
60.0000 -94.52883 -88.13429 6.39454 2.83166 -87.28099 1235.20132
65.0000 -93.00774 -88.05465 4.95310 2.78258 -87.86453 1106.59617
70.0000 -93.90514 -88.16668 5.73846 2.77134 -87.99817 1144.81647
75.0000 -95.76040 -89.11099 6.64941 2.73607 -88.41754 1128.47880
80.0000 -94.47940 -88.43310 6.04630 2.67023 -89.20039 1090.77591
85.0000 -95.40492 -88.29662 7.10830 2.80820 -87.55994 1168.88728
90.0000 -94.79502 -87.27013 7.52489 2.76512 -88.07213 1148.44032
95.0000 -93.08034 -86.52769 6.55265 2.82282 -87.38613 1203.76633
100.0000 -92.45523 -87.26927 5.18596 2.91440 -86.29715 1253.22644
105.0000 -93.54857 -87.36572 6.18285 2.81551 -87.47299 1242.97452
110.0000 -95.23413 -87.74113 7.49300 2.67286 -89.16914 1098.59269
115.0000 -93.31183 -85.62483 7.68700 2.85198 -87.03933 1259.71809
120.0000 -91.87852 -85.70602 6.17250 2.91847 -86.24877 1218.86745
125.0000 -93.32602 -87.53717 5.78885 2.97089 -85.62546 1302.27466
130.0000 -94.42751 -88.23158 6.19593 2.84113 -87.16835 1200.62978
135.0000 -94.23474 -88.92174 5.31300 2.72637 -88.53289 1133.93722
140.0000 -94.45542 -89.05740 5.39802 2.70019 -88.84415 1128.33260
145.0000 -94.01866 -88.69260 5.32605 2.68104 -89.07185 1072.59194
150.0000 -94.23670 -86.96606 7.27064 2.68116 -89.07051 1085.98226
155.0000 -93.71916 -89.05298 4.66618 2.75783 -88.15890 1188.37128
160.0000 -94.95716 -88.62379 6.33337 2.69035 -88.96124 1130.61711
165.0000 -95.17375 -88.29782 6.87593 2.71836 -88.62820 1097.07433
170.0000 -91.92847 -86.24908 5.67939 2.77827 -87.91583 1196.21617
175.0000 -92.52193 -85.40205 7.11988 2.97645 -85.55946 1307.00048
180.0000 -92.90880 -86.02823 6.88057 2.97637 -85.56037 1294.75572
185.0000 -92.95281 -86.84938 6.10343 2.82869 -87.31625 1221.63360
190.0000 -93.67079 -86.00063 7.67016 2.92022 -86.22802 1349.52987
195.0000 -94.77511 -87.89680 6.87831 2.87187 -86.80293 1293.75252
200.0000 -93.34647 -88.04752 5.29896 2.77898 -87.90737 1187.04109
205.0000 -94.70874 -88.41703 6.29171 2.65133 -89.42517 1083.69123
210.0000 -93.43023 -86.85459 6.57565 2.78833 -87.79617 1143.64200
215.0000 -92.67935 -86.30053 6.37882 2.89301 -86.55154 1330.54757
220.0000 -94.64389 -87.73922 6.90468 2.89668 -86.50789 1296.23131
225.0000 -91.68976 -85.74848 5.94127 2.85331 -87.02359 1219.01126
230.0000 -92.79521 -86.80244 5.99277 2.83318 -87.26293 1258.31396
235.0000 -93.10664 -85.97318 7.13346 2.93537 -86.04784 1305.02605
240.0000 -93.16633 -85.05021 8.11612 2.99326 -85.35950 1373.79895
245.0000 -94.05751 -86.37085 7.68667 3.00713 -85.19464 1359.87299
250.0000 -94.49027 -89.36321 5.12706 2.78263 -87.86393 1172.48025
FREEZING PROCESS: loop number 2 T-loop= 1195.0000000000000
main_MD> interactions number 2 at Temperature= 1195.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81695 0.89068 -1.25434
force_rgl> df(natom) 3.60214 -0.28681 1.08917
255.0000 -94.37947 -88.02874 6.35073 2.68301 -89.04847 1065.84489
260.0000 -93.90916 -88.48727 5.42189 2.73916 -88.38088 1124.95150
265.0000 -93.72619 -87.72239 6.00380 2.69167 -88.94546 1087.74762
270.0000 -93.79116 -88.10421 5.68695 2.77644 -87.93762 1134.07809
275.0000 -93.38494 -88.10375 5.28119 2.75373 -88.20760 1111.51914
280.0000 -93.38019 -86.77848 6.60171 2.83177 -87.27967 1180.71425
285.0000 -93.47301 -86.39925 7.07376 2.92573 -86.16252 1333.91214
290.0000 -93.52422 -86.48195 7.04228 2.96352 -85.71315 1299.57790
295.0000 -93.39792 -86.50825 6.88967 2.88271 -86.67401 1219.04682
300.0000 -95.38820 -88.66287 6.72533 2.81123 -87.52393 1193.44497
305.0000 -93.79977 -86.59647 7.20330 2.72517 -88.54718 1135.23821
310.0000 -92.63662 -85.92423 6.71239 2.96918 -85.64588 1335.43096
315.0000 -93.78210 -87.60946 6.17263 2.84125 -87.16696 1190.18514
320.0000 -91.56385 -85.81531 5.74854 2.92028 -86.22731 1316.66583
325.0000 -92.47260 -86.01775 6.45486 2.93476 -86.05512 1286.32880
330.0000 -92.99776 -85.94176 7.05600 2.94821 -85.89523 1253.52226
335.0000 -92.46383 -86.42536 6.03847 2.90349 -86.42691 1234.45128
340.0000 -92.51139 -85.91254 6.59884 2.92119 -86.21643 1248.60615
345.0000 -93.97687 -87.59245 6.38441 2.85958 -86.94903 1239.03675
350.0000 -94.77898 -88.15432 6.62465 2.75016 -88.25002 1149.29868
355.0000 -92.97105 -87.72030 5.25075 2.78496 -87.83628 1210.28554
360.0000 -93.47775 -86.69523 6.78251 2.79611 -87.70363 1123.86892
365.0000 -92.97455 -86.94974 6.02481 2.80077 -87.64831 1218.05034
370.0000 -94.14120 -86.79610 7.34510 2.87295 -86.79000 1217.61494
375.0000 -94.89202 -88.59097 6.30104 2.78719 -87.80970 1213.48362
380.0000 -92.98360 -86.71736 6.26624 2.78890 -87.78943 1203.05884
385.0000 -93.48169 -88.25724 5.22445 2.80980 -87.54091 1220.36256
390.0000 -94.20194 -87.69982 6.50211 2.80215 -87.63186 1180.00035
395.0000 -91.66500 -85.24655 6.41845 2.88050 -86.70027 1290.66163
400.0000 -92.77819 -86.86797 5.91022 2.89770 -86.49581 1264.84321
405.0000 -93.67979 -87.39550 6.28429 2.86188 -86.92162 1225.66554
410.0000 -92.65432 -85.70861 6.94571 2.85007 -87.06207 1256.79648
415.0000 -93.37701 -86.90364 6.47336 2.90223 -86.44188 1272.67935
420.0000 -92.81340 -85.57883 7.23458 2.89632 -86.51222 1271.62601
425.0000 -95.28902 -89.32969 5.95933 2.88083 -86.69637 1248.15651
430.0000 -94.81330 -89.88159 4.93171 2.66316 -89.28446 1040.64342
435.0000 -93.55606 -86.60758 6.94848 2.79334 -87.73661 1212.25330
440.0000 -92.99389 -86.81470 6.17920 2.86160 -86.92495 1208.68257
445.0000 -93.92292 -87.79746 6.12546 2.82378 -87.37467 1167.16934
450.0000 -93.02379 -87.37590 5.64789 2.77409 -87.96552 1149.53078
455.0000 -95.17227 -88.33919 6.83308 2.81285 -87.50464 1185.06052
460.0000 -94.03016 -87.45171 6.57844 2.72936 -88.49737 1116.32396
465.0000 -95.22680 -89.60654 5.62027 2.70156 -88.82791 1111.61461
470.0000 -93.17485 -87.55584 5.61902 2.77576 -87.94570 1171.11126
475.0000 -93.69384 -87.45548 6.23835 2.80137 -87.64111 1232.81347
480.0000 -94.78314 -88.28672 6.49642 2.82125 -87.40480 1179.46149
485.0000 -93.58899 -88.55963 5.02936 2.66472 -89.26599 1084.18666
490.0000 -92.95460 -85.50306 7.45154 2.88630 -86.63128 1319.57219
495.0000 -95.17380 -87.77212 7.40168 2.88581 -86.63712 1290.03590
500.0000 -93.74546 -87.15488 6.59059 2.80518 -87.59581 1199.70919
FREEZING PROCESS: loop number 3 T-loop= 1170.0000000000000
main_MD> interactions number 3 at Temperature= 1170.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74777 -0.47954 -4.37911
force_rgl> df(natom) 0.26932 -0.93336 1.80113
505.0000 -94.88129 -88.98089 5.90040 2.76817 -88.03590 1186.81838
510.0000 -94.37669 -89.32224 5.05445 2.71386 -88.68171 1107.72919
515.0000 -94.08899 -87.84217 6.24682 2.75395 -88.20503 1173.34576
520.0000 -94.72039 -90.06430 4.65610 2.72271 -88.57638 1123.56575
525.0000 -95.02769 -89.38864 5.63906 2.58296 -90.23808 992.52472
530.0000 -93.56053 -87.81048 5.75004 2.70804 -88.75082 1159.04338
535.0000 -95.53624 -89.63303 5.90320 2.68328 -89.04525 1094.73656
540.0000 -94.39283 -89.04473 5.34810 2.68301 -89.04845 1102.46876
545.0000 -95.96071 -88.52245 7.43826 2.72335 -88.56887 1184.78426
550.0000 -92.38053 -85.84500 6.53554 2.81794 -87.44407 1226.39600
555.0000 -95.64978 -88.38113 7.26865 2.82124 -87.40492 1131.85700
560.0000 -92.14860 -85.34178 6.80682 2.90379 -86.42341 1282.98978
565.0000 -93.18889 -85.57328 7.61561 2.91619 -86.27585 1268.38681
570.0000 -95.82915 -87.71755 8.11160 2.87216 -86.79940 1259.46215
575.0000 -95.52095 -88.80224 6.71871 2.83628 -87.22605 1243.63239
580.0000 -93.64387 -86.66531 6.97856 2.76217 -88.10721 1162.28658
585.0000 -91.39542 -85.19475 6.20067 2.85364 -87.01966 1244.60886
590.0000 -90.97026 -82.81415 8.15611 3.13814 -83.63683 1489.46795
595.0000 -92.94792 -85.04682 7.90110 3.19680 -82.93939 1504.72201
600.0000 -92.87956 -84.80678 8.07278 3.07191 -84.42433 1344.92544
605.0000 -92.21466 -86.39011 5.82455 3.01394 -85.11366 1297.37338
610.0000 -94.43668 -87.11427 7.32242 2.89148 -86.56973 1287.61131
615.0000 -94.03014 -87.29835 6.73179 2.83528 -87.23794 1307.95171
620.0000 -94.52222 -88.28292 6.23930 2.73133 -88.47395 1198.93559
625.0000 -94.45832 -88.68992 5.76840 2.75044 -88.24672 1135.37280
630.0000 -94.35623 -87.73150 6.62473 2.75167 -88.23208 1137.52843
635.0000 -95.36623 -89.52350 5.84273 2.77392 -87.96750 1146.60582
640.0000 -94.28810 -89.58875 4.69936 2.63865 -89.57589 1078.76119
645.0000 -93.37898 -86.99561 6.38338 2.77607 -87.94195 1154.57535
650.0000 -94.35329 -87.01157 7.34172 2.81502 -87.47880 1198.35751
655.0000 -92.22443 -86.31627 5.90816 2.91533 -86.28614 1295.25320
660.0000 -92.91380 -87.06731 5.84649 2.85673 -86.98288 1216.93009
665.0000 -93.64929 -86.18700 7.46229 2.79834 -87.67715 1223.29008
670.0000 -94.10853 -87.80809 6.30044 2.79104 -87.76397 1183.94546
675.0000 -92.01502 -86.08622 5.92880 2.89296 -86.55206 1293.94981
680.0000 -93.92832 -86.97113 6.95719 2.82442 -87.36706 1175.46863
685.0000 -93.31169 -86.50020 6.81149 2.88653 -86.62853 1223.04781
690.0000 -95.87389 -87.81307 8.06082 2.81049 -87.53269 1215.06155
695.0000 -93.20875 -87.06323 6.14552 2.78248 -87.86571 1206.47407
700.0000 -93.07979 -87.82070 5.25910 2.85710 -86.97853 1221.22691
705.0000 -95.46743 -89.43181 6.03562 2.63324 -89.64026 1039.08682
710.0000 -93.86952 -89.87024 3.99929 2.59212 -90.12922 1008.61941
715.0000 -94.20873 -88.30371 5.90502 2.66977 -89.20595 1027.05974
720.0000 -92.85653 -86.81345 6.04308 2.88133 -86.69043 1276.24950
725.0000 -93.69195 -88.16010 5.53185 2.79739 -87.68844 1160.41807
730.0000 -95.34409 -88.95363 6.39046 2.70977 -88.73033 1089.21361
735.0000 -92.37424 -85.99006 6.38417 2.75863 -88.14934 1160.44090
740.0000 -91.40163 -85.58430 5.81733 2.94429 -85.94180 1292.82820
745.0000 -94.56049 -87.96125 6.59924 2.88025 -86.70322 1250.38402
750.0000 -94.26362 -89.02143 5.24219 2.68897 -88.97755 1128.75441
FREEZING PROCESS: loop number 4 T-loop= 1145.0000000000000
main_MD> interactions number 4 at Temperature= 1145.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58491 -0.20768 2.32885
force_rgl> df(natom) 3.55575 -0.43019 1.05399
755.0000 -95.22087 -90.37276 4.84811 2.62845 -89.69723 1074.82101
760.0000 -94.39426 -88.88568 5.50858 2.59446 -90.10135 1022.69528
765.0000 -93.76645 -87.40132 6.36513 2.74054 -88.36447 1170.65274
770.0000 -94.97146 -89.07200 5.89947 2.77713 -87.92937 1164.04302
775.0000 -95.36630 -88.50963 6.85667 2.75659 -88.17353 1172.11763
780.0000 -94.09177 -89.06297 5.02880 2.68918 -88.97512 1135.36243
785.0000 -93.37249 -87.97773 5.39477 2.74195 -88.34769 1132.17680
790.0000 -92.89676 -87.43050 5.46626 2.74882 -88.26602 1178.76541
795.0000 -93.53917 -87.33090 6.20827 2.86145 -86.92676 1236.72042
800.0000 -94.26383 -89.78483 4.47901 2.75561 -88.18520 1123.06462
805.0000 -93.72389 -88.00634 5.71755 2.74379 -88.32574 1188.91997
810.0000 -91.47482 -85.88193 5.59289 2.83738 -87.21303 1204.60433
815.0000 -92.84082 -84.89724 7.94358 3.06672 -84.48608 1412.49193
820.0000 -93.37747 -86.13772 7.23975 2.90941 -86.35649 1294.36093
825.0000 -94.91336 -87.50232 7.41104 2.86819 -86.84670 1275.60762
830.0000 -96.97269 -90.53238 6.44031 2.62946 -89.68521 1064.38932
835.0000 -94.63649 -89.76574 4.87074 2.55225 -90.60323 971.87377
840.0000 -95.71008 -90.44979 5.26029 2.61285 -89.88264 1027.81148
845.0000 -92.90122 -88.18083 4.72039 2.71608 -88.65531 1097.73790
850.0000 -94.72954 -87.67358 7.05595 2.77577 -87.94557 1172.08169
855.0000 -93.17307 -85.49297 7.68010 2.88496 -86.64728 1264.35269
860.0000 -94.41118 -88.50243 5.90875 2.82267 -87.38786 1212.72725
865.0000 -94.91762 -90.06173 4.85589 2.67607 -89.13098 1073.36617
870.0000 -95.03623 -89.07796 5.95827 2.63938 -89.56719 1089.35498
875.0000 -95.28376 -88.85871 6.42505 2.70078 -88.83723 1108.43966
880.0000 -94.21379 -88.61663 5.59716 2.74714 -88.28593 1171.17265
885.0000 -93.39596 -86.65754 6.73843 2.77576 -87.94565 1166.46831
890.0000 -94.17324 -89.12375 5.04949 2.74134 -88.35489 1175.01786
895.0000 -94.06010 -89.20777 4.85233 2.68021 -89.08172 1104.20455
900.0000 -92.95281 -87.68472 5.26810 2.70356 -88.80408 1102.96310
905.0000 -94.85404 -88.67662 6.17742 2.81769 -87.44709 1246.28856
910.0000 -95.42824 -89.54747 5.88077 2.73814 -88.39300 1152.24394
915.0000 -95.67537 -89.60656 6.06880 2.63535 -89.61519 1036.93611
920.0000 -94.19649 -88.70145 5.49504 2.70486 -88.78861 1111.56927
925.0000 -93.53181 -87.72410 5.80772 2.78321 -87.85709 1108.16256
930.0000 -94.07615 -88.82081 5.25535 2.67558 -89.13685 1061.01943
935.0000 -93.29266 -88.89310 4.39955 2.74587 -88.30107 1066.04447
940.0000 -95.58701 -90.34195 5.24506 2.69875 -88.86128 1093.81953
945.0000 -95.03817 -89.00581 6.03236 2.65811 -89.34455 1046.74475
950.0000 -95.07876 -89.59127 5.48749 2.64078 -89.55063 1017.55306
955.0000 -94.26018 -89.10150 5.15869 2.65625 -89.36660 1064.52185
960.0000 -94.81640 -88.33618 6.48022 2.74607 -88.29869 1145.14323
965.0000 -93.26843 -88.92274 4.34570 2.69119 -88.95115 1107.82530
970.0000 -94.04924 -87.66637 6.38287 2.73855 -88.38812 1127.68941
975.0000 -94.60662 -88.54427 6.06235 2.76718 -88.04766 1173.12972
980.0000 -92.94507 -85.87251 7.07257 2.86390 -86.89768 1212.90630
985.0000 -94.54152 -88.61839 5.92314 2.86654 -86.86621 1222.75507
990.0000 -95.67914 -89.08637 6.59276 2.69238 -88.93711 1125.24636
995.0000 -94.27037 -87.60267 6.66770 2.67878 -89.09880 1111.99302
1000.0000 -96.59218 -90.52004 6.07214 2.65301 -89.40514 1079.85876
FREEZING PROCESS: loop number 5 T-loop= 1120.0000000000000
main_MD> interactions number 5 at Temperature= 1120.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37020 -2.33042 -1.03056
force_rgl> df(natom) 2.88504 -3.30384 -0.85172
1005.0000 -94.22635 -88.52186 5.70450 2.65524 -89.37867 1081.71875
1010.0000 -94.10971 -89.45302 4.65669 2.66992 -89.20416 1090.39938
1015.0000 -96.70286 -91.20177 5.50109 2.62180 -89.77624 1031.09216
1020.0000 -95.47201 -89.93863 5.53338 2.58531 -90.21015 999.95098
1025.0000 -94.48190 -89.81293 4.66897 2.58809 -90.17710 1003.10297
1030.0000 -94.21396 -88.17369 6.04028 2.67354 -89.16107 1113.07524
1035.0000 -93.03043 -88.18804 4.84239 2.75197 -88.22851 1138.06858
1040.0000 -93.21843 -88.21878 4.99966 2.78733 -87.80803 1160.49667
1045.0000 -94.55443 -89.26852 5.28591 2.67574 -89.13487 1095.64171
1050.0000 -93.17812 -87.80021 5.37792 2.83450 -87.24722 1234.02916
1055.0000 -95.14292 -88.01200 7.13092 2.79179 -87.75506 1199.72011
1060.0000 -94.11600 -88.04882 6.06718 2.77283 -87.98051 1192.15317
1065.0000 -94.90369 -88.56546 6.33824 2.70378 -88.80156 1091.76993
1070.0000 -94.78350 -89.20213 5.58137 2.72083 -88.59876 1117.23323
1075.0000 -94.87881 -89.18296 5.69585 2.70481 -88.78928 1129.32745
1080.0000 -94.36762 -88.21812 6.14950 2.71682 -88.64646 1099.48520
1085.0000 -95.36950 -90.07062 5.29889 2.65261 -89.40992 1131.84050
1090.0000 -95.10081 -90.11024 4.99056 2.54865 -90.64607 997.20113
1095.0000 -96.67195 -91.18213 5.48982 2.51752 -91.01612 995.24645
1100.0000 -95.48711 -88.52263 6.96447 2.62703 -89.71402 1004.66525
1105.0000 -94.50255 -89.54492 4.95762 2.73562 -88.42289 1098.65136
1110.0000 -94.47085 -88.93671 5.53413 2.58372 -90.22908 1024.84075
1115.0000 -95.65208 -89.77616 5.87591 2.70520 -88.78466 1144.77420
1120.0000 -94.48940 -89.64398 4.84542 2.69970 -88.84996 1131.49562
1125.0000 -93.13618 -87.78864 5.34754 2.66713 -89.23734 1083.90904
1130.0000 -93.43510 -86.70449 6.73061 2.81729 -87.45186 1239.21285
1135.0000 -94.10616 -86.76872 7.33744 2.85176 -87.04199 1187.96410
1140.0000 -92.71295 -85.91932 6.79363 2.94268 -85.96092 1284.36869
1145.0000 -93.65645 -87.92983 5.72662 2.84320 -87.14373 1207.87310
1150.0000 -94.08418 -87.88930 6.19488 2.77713 -87.92942 1169.38545
1155.0000 -93.48527 -87.98050 5.50477 2.73581 -88.42065 1106.46459
1160.0000 -94.35352 -88.65109 5.70244 2.77852 -87.91289 1156.59638
1165.0000 -94.62421 -89.48917 5.13504 2.66512 -89.26119 1090.26851
1170.0000 -96.32875 -91.57997 4.74878 2.51469 -91.04986 939.49978
1175.0000 -95.04775 -89.78928 5.25847 2.58767 -90.18207 993.02022
1180.0000 -94.62161 -88.59700 6.02461 2.71355 -88.68532 1113.86576
1185.0000 -94.60615 -87.86050 6.74565 2.74373 -88.32649 1126.81658
1190.0000 -95.94903 -91.06459 4.88444 2.66185 -89.30009 1070.79037
1195.0000 -95.98154 -91.04436 4.93718 2.50375 -91.17994 945.17947
1200.0000 -96.22506 -90.86807 5.35699 2.59394 -90.10749 1021.14110
1205.0000 -95.07352 -90.25380 4.81972 2.53367 -90.82415 979.60866
1210.0000 -94.81200 -87.63105 7.18094 2.63331 -89.63937 1084.51680
1215.0000 -95.26581 -88.69507 6.57074 2.73445 -88.43683 1156.48963
1220.0000 -95.30440 -89.32186 5.98254 2.66505 -89.26199 1106.90692
1225.0000 -95.21941 -89.97588 5.24353 2.67381 -89.15789 1074.47470
1230.0000 -94.44259 -88.82264 5.61995 2.62809 -89.70150 1039.59737
1235.0000 -95.52601 -88.05814 7.46787 2.70220 -88.82025 1078.76980
1240.0000 -94.93782 -89.13857 5.79925 2.73016 -88.48788 1142.09797
1245.0000 -93.46356 -88.56504 4.89852 2.74357 -88.32843 1127.16796
1250.0000 -92.64379 -87.08928 5.55451 2.82102 -87.40749 1202.73848
FREEZING PROCESS: loop number 6 T-loop= 1095.0000000000000
main_MD> interactions number 6 at Temperature= 1095.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05526 0.80425 -1.33012
force_rgl> df(natom) -0.38591 1.16457 7.13320
1255.0000 -94.14745 -87.26817 6.87928 2.89172 -86.56688 1218.01506
1260.0000 -93.42256 -86.53581 6.88675 2.81530 -87.47548 1192.89380
1265.0000 -95.34169 -89.62991 5.71177 2.74989 -88.25321 1131.91791
1270.0000 -95.68200 -90.65682 5.02518 2.58043 -90.26814 1030.04469
1275.0000 -95.26318 -89.87368 5.38950 2.55299 -90.59448 999.73448
1280.0000 -96.40744 -90.54965 5.85779 2.57461 -90.33739 1018.19811
1285.0000 -94.65633 -89.37143 5.28489 2.56855 -90.40942 1002.35092
1290.0000 -93.85659 -88.50199 5.35460 2.71481 -88.67035 1095.13072
1295.0000 -93.50726 -86.95395 6.55331 2.82544 -87.35500 1224.61914
1300.0000 -94.55711 -88.54004 6.01706 2.83080 -87.29124 1231.06729
1305.0000 -96.06349 -90.44406 5.61942 2.66021 -89.31951 1054.34437
1310.0000 -95.32064 -90.42776 4.89288 2.59777 -90.06200 1044.80555
1315.0000 -95.28612 -89.66642 5.61970 2.66837 -89.22251 1073.00262
1320.0000 -95.05528 -89.45355 5.60173 2.64927 -89.44960 1059.69533
1325.0000 -95.45845 -88.93164 6.52681 2.70723 -88.76051 1150.70544
1330.0000 -93.78540 -88.25681 5.52859 2.76120 -88.11877 1157.31195
1335.0000 -95.20326 -90.24295 4.96031 2.65725 -89.35472 1024.11033
1340.0000 -95.05888 -89.68462 5.37426 2.64682 -89.47880 1119.21743
1345.0000 -93.66321 -88.18745 5.47576 2.66483 -89.26467 1078.08078
1350.0000 -94.80048 -89.49391 5.30657 2.65952 -89.32777 1044.20410
1355.0000 -93.57814 -88.32775 5.25040 2.65792 -89.34681 1018.77091
1360.0000 -95.69273 -87.00904 8.68368 2.93580 -86.04272 1306.77533
1365.0000 -94.89525 -89.20943 5.68582 2.72789 -88.51484 1122.37420
1370.0000 -96.27375 -89.89602 6.37773 2.62890 -89.69179 1098.62978
1375.0000 -95.76866 -89.67768 6.09097 2.63186 -89.65665 1037.50140
1380.0000 -93.03363 -86.61036 6.42328 2.78219 -87.86920 1182.74219
1385.0000 -95.19121 -87.88576 7.30546 2.86384 -86.89839 1256.35311
1390.0000 -94.57080 -88.42374 6.14707 2.73041 -88.48489 1106.00521
1395.0000 -95.42944 -88.70285 6.72659 2.72521 -88.54670 1119.72112
1400.0000 -94.16550 -88.89007 5.27543 2.71208 -88.70277 1076.39978
1405.0000 -96.29826 -90.59992 5.69835 2.65118 -89.42699 1055.86897
1410.0000 -95.10762 -90.08711 5.02052 2.60843 -89.93519 1085.61686
1415.0000 -95.67489 -88.64215 7.03274 2.68574 -89.01605 1146.97466
1420.0000 -95.27680 -88.62133 6.65547 2.70143 -88.82950 1172.20531
1425.0000 -94.46160 -88.29099 6.17061 2.66002 -89.32186 1067.17546
1430.0000 -93.81035 -88.14870 5.66165 2.75943 -88.13983 1121.86264
1435.0000 -94.29996 -88.80762 5.49234 2.70224 -88.81988 1120.43491
1440.0000 -95.12157 -89.08537 6.03620 2.71380 -88.68240 1116.26722
1445.0000 -95.90195 -89.83496 6.06699 2.68010 -89.08312 1066.41913
1450.0000 -94.25865 -89.01187 5.24678 2.67645 -89.12651 1042.02154
1455.0000 -95.78144 -91.33202 4.44942 2.56192 -90.48827 997.73175
1460.0000 -95.64976 -90.27787 5.37189 2.57534 -90.32869 1053.18435
1465.0000 -96.98729 -91.47614 5.51115 2.54664 -90.66996 1034.27800
1470.0000 -95.50810 -89.74200 5.76610 2.52873 -90.88287 963.70596
1475.0000 -96.43996 -91.22958 5.21038 2.59261 -90.12340 1026.06711
1480.0000 -94.66281 -87.83544 6.82737 2.64456 -89.50560 1041.63558
1485.0000 -93.98611 -87.54622 6.43990 2.69117 -88.95143 1094.74211
1490.0000 -92.60142 -86.79479 5.80663 2.84793 -87.08749 1184.51152
1495.0000 -93.77988 -87.62971 6.15016 2.84642 -87.10551 1182.88214
1500.0000 -93.26672 -87.72367 5.54305 2.76389 -88.08683 1168.06459
FREEZING PROCESS: loop number 7 T-loop= 1070.0000000000000
main_MD> interactions number 7 at Temperature= 1070.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38569 -4.94045 0.08551
force_rgl> df(natom) 2.42768 0.98575 1.52862
1505.0000 -94.43127 -88.79719 5.63408 2.77314 -87.97685 1134.88645
1510.0000 -94.67274 -88.81536 5.85738 2.67013 -89.20167 1064.85997
1515.0000 -97.21838 -90.97092 6.24746 2.60866 -89.93254 1004.66999
1520.0000 -95.98067 -90.19149 5.78918 2.61055 -89.91000 1075.08330
1525.0000 -95.11900 -89.04776 6.07124 2.62124 -89.78292 1038.06450
1530.0000 -94.13043 -89.07366 5.05677 2.69795 -88.87088 1103.48029
1535.0000 -93.74584 -86.32849 7.41736 2.76297 -88.09777 1115.24559
1540.0000 -94.47966 -89.10894 5.37072 2.86794 -86.84966 1204.14774
1545.0000 -95.60713 -90.23511 5.37202 2.61130 -89.90112 1041.78997
1550.0000 -96.60590 -91.33289 5.27301 2.50539 -91.16037 966.99101
1555.0000 -96.16307 -92.17490 3.98817 2.44162 -91.91866 908.20496
1560.0000 -96.85458 -90.96376 5.89082 2.47451 -91.52757 964.09745
1565.0000 -96.42722 -90.62455 5.80267 2.50817 -91.12738 988.01102
1570.0000 -96.07408 -91.55308 4.52100 2.59429 -90.10336 1061.85786
1575.0000 -94.45406 -88.93789 5.51617 2.58935 -90.16207 1015.35420
1580.0000 -94.35285 -88.01138 6.34148 2.63897 -89.57213 1045.97068
1585.0000 -94.54168 -89.49107 5.05061 2.66583 -89.25275 1084.81707
1590.0000 -95.73087 -89.55454 6.17633 2.66113 -89.30859 1158.65776
1595.0000 -95.46569 -89.93156 5.53413 2.60529 -89.97262 1064.63893
1600.0000 -93.69976 -87.76591 5.93385 2.74301 -88.33504 1144.51043
1605.0000 -94.79880 -89.09878 5.70002 2.65807 -89.34503 1054.82622
1610.0000 -94.50685 -89.47461 5.03224 2.70498 -88.78730 1117.18878
1615.0000 -95.90573 -88.62636 7.27937 2.69370 -88.92132 1126.24824
1620.0000 -95.70888 -89.60660 6.10228 2.61219 -89.89059 1034.68974
1625.0000 -93.43956 -88.49591 4.94364 2.70539 -88.78235 1117.78358
1630.0000 -94.80737 -89.49961 5.30776 2.73882 -88.38486 1159.74168
1635.0000 -93.79210 -87.50371 6.28838 2.76937 -88.02160 1200.85239
1640.0000 -95.85661 -89.48277 6.37384 2.73957 -88.37595 1142.62109
1645.0000 -94.53209 -88.70137 5.83072 2.64018 -89.55772 1065.09499
1650.0000 -93.31012 -88.70384 4.60628 2.66893 -89.21585 1059.59008
1655.0000 -95.32022 -89.83316 5.48705 2.66341 -89.28158 1044.94131
1660.0000 -94.34480 -89.33803 5.00678 2.59024 -90.15156 1008.20821
1665.0000 -93.55496 -88.77422 4.78074 2.71425 -88.67697 1123.98972
1670.0000 -97.05381 -90.91410 6.13971 2.58691 -90.19116 999.32722
1675.0000 -95.50825 -90.57700 4.93125 2.51010 -91.10441 975.65232
1680.0000 -96.01393 -89.57137 6.44256 2.59942 -90.04242 998.32320
1685.0000 -94.44211 -88.01914 6.42296 2.72691 -88.52651 1131.45631
1690.0000 -95.93470 -90.22430 5.71039 2.67599 -89.13197 1097.56999
1695.0000 -93.61125 -86.87953 6.73172 2.70513 -88.78546 1099.97240
1700.0000 -93.94828 -87.69845 6.24983 2.84814 -87.08504 1204.00014
1705.0000 -95.05915 -89.57448 5.48467 2.71452 -88.67377 1175.31236
1710.0000 -93.43706 -88.23707 5.20000 2.70735 -88.75910 1136.67375
1715.0000 -95.16049 -88.70860 6.45188 2.76617 -88.05964 1157.67878
1720.0000 -96.04202 -90.56513 5.47689 2.61369 -89.87266 1039.30582
1725.0000 -96.35832 -91.41950 4.93882 2.52550 -90.92124 999.40423
1730.0000 -95.96764 -90.35610 5.61154 2.51912 -90.99712 987.57554
1735.0000 -95.11761 -89.14266 5.97495 2.62488 -89.73970 1051.07430
1740.0000 -95.08429 -89.63876 5.44553 2.59632 -90.07926 1057.31514
1745.0000 -96.48293 -90.11869 6.36424 2.60332 -89.99598 1075.86895
1750.0000 -95.49579 -89.28813 6.20766 2.62204 -89.77340 1039.47440
FREEZING PROCESS: loop number 8 T-loop= 1045.0000000000000
main_MD> interactions number 8 at Temperature= 1045.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79940 3.89429 1.54776
force_rgl> df(natom) 2.13506 -0.81999 -3.04345
1755.0000 -95.16047 -89.59228 5.56820 2.65339 -89.40066 1057.48791
1760.0000 -94.23695 -88.00762 6.22933 2.70822 -88.74867 1119.20580
1765.0000 -94.87100 -89.42689 5.44411 2.67975 -89.08721 1089.60429
1770.0000 -94.76947 -89.91053 4.85894 2.62135 -89.78164 1002.29604
1775.0000 -95.82094 -89.27618 6.54476 2.64794 -89.46548 1049.66636
1780.0000 -96.23318 -90.99659 5.23660 2.52749 -90.89762 955.63340
1785.0000 -95.90341 -91.57643 4.32698 2.50645 -91.14784 952.99582
1790.0000 -95.70361 -90.61704 5.08657 2.56632 -90.43596 986.49503
1795.0000 -96.58010 -91.58910 4.99099 2.51779 -91.01295 967.83970
1800.0000 -97.09248 -92.89097 4.20151 2.40721 -92.32773 844.74587
1805.0000 -96.14599 -90.53284 5.61314 2.44270 -91.90584 922.42676
1810.0000 -95.33345 -90.03144 5.30201 2.56832 -90.41214 1051.71318
1815.0000 -96.19027 -91.65311 4.53716 2.57589 -90.32215 1016.43773
1820.0000 -95.23482 -89.38681 5.84801 2.56035 -90.50688 1015.79625
1825.0000 -95.06219 -90.12271 4.93948 2.60940 -89.92371 1044.93829
1830.0000 -96.11047 -91.31592 4.79455 2.52996 -90.86830 957.92894
1835.0000 -96.57577 -91.90706 4.66871 2.47895 -91.47475 922.28030
1840.0000 -95.57176 -90.93504 4.63672 2.50114 -91.21095 978.52022
1845.0000 -96.40084 -92.09517 4.30567 2.45929 -91.70857 898.65138
1850.0000 -96.23696 -91.69620 4.54076 2.48405 -91.41419 965.21047
1855.0000 -96.58595 -92.10179 4.48416 2.41076 -92.28554 883.32265
1860.0000 -95.25209 -90.39588 4.85620 2.48503 -91.40251 918.55160
1865.0000 -95.60277 -89.94616 5.65662 2.57498 -90.33298 1015.98772
1870.0000 -95.79035 -90.65322 5.13712 2.52911 -90.87837 980.47847
1875.0000 -95.48374 -91.81104 3.67270 2.52619 -90.91314 973.96566
1880.0000 -95.49899 -90.03866 5.46032 2.46269 -91.66818 871.82838
1885.0000 -96.43097 -92.09961 4.33136 2.57707 -90.30813 979.45469
1890.0000 -96.71291 -91.30058 5.41233 2.47826 -91.48299 939.67789
1895.0000 -94.37113 -89.07915 5.29198 2.53078 -90.85850 966.64763
1900.0000 -97.10679 -89.94386 7.16293 2.64201 -89.53600 1043.48775
1905.0000 -95.78975 -90.26300 5.52675 2.58560 -90.20670 1007.46608
1910.0000 -97.01444 -91.90074 5.11370 2.43161 -92.03767 909.11989
1915.0000 -96.33711 -91.72651 4.61059 2.45311 -91.78204 874.29973
1920.0000 -95.76614 -89.74908 6.01706 2.53559 -90.80128 984.04934
1925.0000 -94.43620 -88.40763 6.02857 2.70345 -88.80544 1128.93320
1930.0000 -95.79584 -90.11079 5.68505 2.57948 -90.27942 1017.12083
1935.0000 -96.16459 -90.48286 5.68172 2.61861 -89.81422 1019.62338
1940.0000 -94.32495 -89.38903 4.93592 2.55758 -90.53989 1005.35786
1945.0000 -95.42897 -90.38239 5.04658 2.67959 -89.08914 1103.05515
1950.0000 -96.51219 -90.91760 5.59459 2.55506 -90.56982 993.28819
1955.0000 -94.68941 -89.65032 5.03908 2.59425 -90.10379 1072.72297
1960.0000 -96.79219 -90.31931 6.47289 2.56579 -90.44229 999.58547
1965.0000 -94.59865 -89.42561 5.17303 2.63669 -89.59920 1068.36545
1970.0000 -96.48550 -91.12593 5.35957 2.61255 -89.88627 1017.27289
1975.0000 -95.58529 -90.52638 5.05891 2.63405 -89.63061 1013.83794
1980.0000 -95.52188 -89.82609 5.69579 2.63056 -89.67215 1026.44048
1985.0000 -94.20653 -88.91760 5.28893 2.69543 -88.90075 1095.75495
1990.0000 -95.70167 -90.26937 5.43230 2.66142 -89.30513 1047.79433
1995.0000 -96.02451 -90.62855 5.39596 2.60901 -89.92837 1039.16581
2000.0000 -95.41400 -89.33650 6.07750 2.62490 -89.73937 1040.93813
FREEZING PROCESS: loop number 9 T-loop= 1020.0000000000000
main_MD> interactions number 9 at Temperature= 1020.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.60422 -1.33088 1.38956
force_rgl> df(natom) 2.59943 0.26122 1.16895
2005.0000 -94.95621 -89.63565 5.32057 2.65359 -89.39830 1067.83540
2010.0000 -95.30798 -89.52745 5.78052 2.60452 -89.98169 1075.77032
2015.0000 -95.65130 -89.64660 6.00470 2.59812 -90.05777 1056.79549
2020.0000 -93.96143 -88.58341 5.37802 2.67595 -89.13236 1112.63057
2025.0000 -94.99136 -89.81322 5.17814 2.73005 -88.48911 1146.83142
2030.0000 -95.27844 -90.48452 4.79392 2.59716 -90.06920 1012.44791
2035.0000 -95.64489 -89.65071 5.99418 2.58247 -90.24395 1007.93814
2040.0000 -95.62175 -90.47178 5.14997 2.60678 -89.95489 1005.86959
2045.0000 -93.71329 -86.85176 6.86152 2.65925 -89.33093 1065.61716
2050.0000 -96.61079 -89.84051 6.77028 2.70986 -88.72925 1146.35776
2055.0000 -92.77510 -86.91435 5.86075 2.78285 -87.86131 1138.72933
2060.0000 -95.19354 -87.93658 7.25696 2.84384 -87.13621 1212.51872
2065.0000 -95.16078 -89.96515 5.19563 2.68884 -88.97920 1108.36154
2070.0000 -95.60824 -90.51974 5.08849 2.59137 -90.13814 1020.15215
2075.0000 -96.23067 -91.14875 5.08192 2.53845 -90.76726 941.65444
2080.0000 -95.07512 -89.94640 5.12872 2.55609 -90.55762 1002.26931
2085.0000 -94.90271 -89.86726 5.03545 2.63943 -89.56663 1067.72735
2090.0000 -95.53631 -90.43322 5.10309 2.52311 -90.94973 937.97282
2095.0000 -95.06004 -90.60359 4.45645 2.57359 -90.34950 1016.64040
2100.0000 -96.87100 -92.39791 4.47309 2.51413 -91.05645 962.49491
2105.0000 -95.64856 -91.15306 4.49550 2.47864 -91.47841 938.24789
2110.0000 -96.51219 -91.43045 5.08174 2.44394 -91.89105 910.32317
2115.0000 -96.32039 -91.56555 4.75484 2.48961 -91.34798 946.23753
2120.0000 -95.63311 -89.86539 5.76772 2.52900 -90.87968 981.15760
2125.0000 -95.69028 -90.34276 5.34752 2.59097 -90.14281 1046.72678
2130.0000 -95.79293 -90.03370 5.75924 2.60266 -90.00390 1038.02389
2135.0000 -94.20462 -88.73250 5.47212 2.64613 -89.48701 1082.80910
2140.0000 -94.69498 -88.34298 6.35200 2.71503 -88.66770 1107.60929
2145.0000 -96.73695 -90.47524 6.26172 2.58165 -90.25366 1009.09294
2150.0000 -96.25317 -89.42682 6.82635 2.63536 -89.61504 1064.23685
2155.0000 -95.54294 -89.14959 6.39335 2.66627 -89.24756 1129.47991
2160.0000 -97.23491 -91.54838 5.68653 2.60123 -90.02085 1053.86026
2165.0000 -94.92327 -90.62100 4.30227 2.43803 -91.96137 870.68957
2170.0000 -95.57598 -90.43640 5.13958 2.56550 -90.44567 974.45857
2175.0000 -96.66023 -91.78511 4.87512 2.50307 -91.18805 964.66425
2180.0000 -95.41533 -90.13927 5.27607 2.53552 -90.80221 953.06081
2185.0000 -94.03000 -88.76118 5.26882 2.60280 -90.00214 980.84647
2190.0000 -95.76290 -90.89133 4.87157 2.58238 -90.24502 1030.66381
2195.0000 -95.29357 -90.13412 5.15945 2.56201 -90.48719 979.75880
2200.0000 -95.60314 -90.45646 5.14668 2.55426 -90.57933 995.58927
2205.0000 -95.40856 -89.63216 5.77640 2.53141 -90.85102 976.91014
2210.0000 -95.33829 -89.73222 5.60607 2.59877 -90.05010 1025.33752
2215.0000 -93.09323 -86.64358 6.44965 2.80637 -87.58166 1172.07154
2220.0000 -93.66989 -87.80297 5.86692 2.89532 -86.52401 1229.48774
2225.0000 -94.31757 -88.50513 5.81244 2.76986 -88.01575 1152.69798
2230.0000 -95.18269 -89.05820 6.12449 2.70630 -88.77154 1107.04553
2235.0000 -95.97534 -89.15704 6.81831 2.68640 -89.00818 1125.56831
2240.0000 -94.04481 -89.29457 4.75024 2.70104 -88.83405 1089.67727
2245.0000 -96.16844 -89.86207 6.30637 2.64301 -89.52406 1076.96017
2250.0000 -95.48994 -90.76191 4.72803 2.55145 -90.61279 974.89899
FREEZING PROCESS: loop number 10 T-loop= 995.00000000000000
main_MD> interactions number 10 at Temperature= 995.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79086 -2.17210 -1.34842
force_rgl> df(natom) -7.19158 -1.05849 3.84963
2255.0000 -97.07367 -91.23523 5.83844 2.49508 -91.28303 957.43016
2260.0000 -96.50566 -90.44480 6.06086 2.51180 -91.08425 963.87107
2265.0000 -95.55353 -90.67057 4.88296 2.53625 -90.79343 1010.00365
2270.0000 -96.04781 -88.77089 7.27692 2.63174 -89.65803 993.56669
2275.0000 -96.22451 -90.94777 5.27673 2.51142 -91.08875 984.93151
2280.0000 -94.55842 -89.30312 5.25530 2.58695 -90.19064 1045.64375
2285.0000 -94.28888 -89.82752 4.46136 2.61326 -89.87777 1030.50650
2290.0000 -95.36481 -90.00390 5.36091 2.65171 -89.42064 1099.43185
2295.0000 -95.41608 -90.47108 4.94500 2.61179 -89.89532 1084.79314
2300.0000 -96.27953 -90.97130 5.30823 2.53906 -90.76009 999.90694
2305.0000 -96.44530 -92.19317 4.25213 2.48036 -91.45798 927.38320
2310.0000 -96.60317 -91.17583 5.42733 2.48542 -91.39782 969.17351
2315.0000 -96.59980 -91.99563 4.60417 2.46524 -91.63779 915.68898
2320.0000 -96.01745 -91.25147 4.76598 2.48216 -91.43658 914.50232
2325.0000 -94.02645 -89.09579 4.93066 2.53776 -90.77552 952.87035
2330.0000 -95.79269 -90.36388 5.42880 2.68016 -89.08236 1099.91273
2335.0000 -95.58306 -91.02384 4.55923 2.56835 -90.41184 1008.07015
2340.0000 -95.13896 -90.23005 4.90890 2.55276 -90.59712 987.37039
2345.0000 -96.03424 -91.05114 4.98310 2.52695 -90.90407 967.92974
2350.0000 -96.40405 -91.36211 5.04193 2.57620 -90.31843 989.96954
2355.0000 -96.74277 -91.73400 5.00877 2.44994 -91.81968 904.34395
2360.0000 -96.79220 -91.18224 5.60996 2.45660 -91.74048 927.57045
2365.0000 -96.92855 -91.40934 5.51921 2.47036 -91.57688 923.53106
2370.0000 -96.43333 -91.44437 4.98896 2.44844 -91.83758 917.89796
2375.0000 -96.76551 -92.16001 4.60551 2.46181 -91.67856 917.88503
2380.0000 -95.69010 -91.31244 4.37766 2.47386 -91.53536 955.15326
2385.0000 -96.71981 -92.67761 4.04219 2.52543 -90.92211 966.14587
2390.0000 -95.48393 -91.25600 4.22793 2.40404 -92.36553 857.50525
2395.0000 -96.78844 -91.60251 5.18593 2.50605 -91.15255 966.22722
2400.0000 -95.66450 -90.59404 5.07046 2.43708 -91.97257 942.81259
2405.0000 -94.58674 -89.72312 4.86362 2.57732 -90.30519 1001.05057
2410.0000 -95.52771 -89.47519 6.05252 2.65561 -89.37430 1094.96793
2415.0000 -96.04419 -90.35587 5.68832 2.68285 -89.05038 1160.49049
2420.0000 -97.33227 -91.85481 5.47746 2.53481 -90.81061 963.43091
2425.0000 -96.43641 -90.87048 5.56593 2.45458 -91.76458 914.99220
2430.0000 -95.73132 -89.64834 6.08299 2.56006 -90.51034 1037.36239
2435.0000 -95.26289 -90.09108 5.17182 2.59394 -90.10757 1031.74358
2440.0000 -94.99848 -89.94722 5.05126 2.51402 -91.05784 966.39618
2445.0000 -96.32009 -91.04676 5.27333 2.56812 -90.41459 1009.51527
2450.0000 -95.48407 -89.92891 5.55517 2.56699 -90.42800 1021.95363
2455.0000 -96.19798 -90.85745 5.34054 2.52480 -90.92959 977.16665
2460.0000 -94.25921 -88.47755 5.78166 2.59520 -90.09260 998.42768
2465.0000 -96.28490 -90.54577 5.73913 2.67356 -89.16080 1095.86282
2470.0000 -95.43132 -90.28927 5.14205 2.55039 -90.62529 1019.08492
2475.0000 -96.29231 -90.06147 6.23084 2.63008 -89.67782 1066.91237
2480.0000 -95.95618 -89.91067 6.04551 2.56889 -90.40537 1021.44396
2485.0000 -96.09629 -90.52488 5.57141 2.51922 -90.99592 993.07345
2490.0000 -95.53644 -90.69082 4.84562 2.56094 -90.49987 1018.93607
2495.0000 -96.08072 -91.09633 4.98438 2.54016 -90.74703 975.44527
2500.0000 -95.21030 -89.07248 6.13781 2.60644 -89.95886 1019.44313
FREEZING PROCESS: loop number 11 T-loop= 970.00000000000000
main_MD> interactions number 11 at Temperature= 970.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84674 1.33936 2.87001
force_rgl> df(natom) -2.34362 0.96132 -1.16891
2505.0000 -95.25263 -89.81463 5.43800 2.62209 -89.77288 1061.11897
2510.0000 -97.02041 -91.81541 5.20500 2.50413 -91.17538 970.86109
2515.0000 -95.32370 -91.11861 4.20509 2.55348 -90.58860 1030.32917
2520.0000 -95.87027 -89.58010 6.29017 2.56236 -90.48299 986.71454
2525.0000 -96.09914 -89.61747 6.48167 2.64957 -89.44611 1114.07132
2530.0000 -96.15807 -91.14483 5.01324 2.53649 -90.79067 997.41975
2535.0000 -97.77736 -92.62283 5.15454 2.46586 -91.63038 911.94801
2540.0000 -96.33681 -90.81241 5.52440 2.48540 -91.39809 961.50356
2545.0000 -96.86438 -91.08342 5.78097 2.51962 -90.99121 968.77715
2550.0000 -96.57665 -92.45162 4.12503 2.42568 -92.10818 889.89046
2555.0000 -97.41309 -92.22130 5.19179 2.37289 -92.73584 854.69648
2560.0000 -97.40112 -93.24377 4.15735 2.37283 -92.73654 854.98194
2565.0000 -96.20653 -91.32669 4.87983 2.47849 -91.48025 898.14218
2570.0000 -96.03255 -90.99995 5.03260 2.51129 -91.09026 954.71020
2575.0000 -95.76112 -89.76508 5.99604 2.55696 -90.54723 994.42488
2580.0000 -95.86659 -89.95125 5.91534 2.60783 -89.94234 1071.44439
2585.0000 -96.97754 -91.01940 5.95814 2.54996 -90.63051 989.30055
2590.0000 -96.10691 -90.49787 5.60904 2.60742 -89.94731 1044.14159
2595.0000 -96.86716 -92.11556 4.75160 2.52300 -90.95100 986.84610
2600.0000 -96.09452 -90.80284 5.29168 2.53185 -90.84581 1002.73614
2605.0000 -96.86102 -90.88275 5.97827 2.49654 -91.26568 948.02307
2610.0000 -95.63142 -89.89674 5.73468 2.59731 -90.06744 1025.76859
2615.0000 -97.26300 -93.06050 4.20250 2.47437 -91.52921 929.57575
2620.0000 -96.75489 -91.79750 4.95739 2.41809 -92.19847 868.39231
2625.0000 -96.50466 -91.38899 5.11567 2.45107 -91.80630 956.98766
2630.0000 -94.45086 -89.51674 4.93412 2.51140 -91.08894 933.36224
2635.0000 -94.74930 -90.10283 4.64646 2.60777 -89.94305 1039.10400
2640.0000 -95.32737 -89.07547 6.25190 2.60434 -89.98383 1035.37153
2645.0000 -95.41926 -89.64158 5.77768 2.57516 -90.33080 1009.57172
2650.0000 -95.19661 -90.99560 4.20101 2.56750 -90.42192 1001.59795
2655.0000 -96.50462 -90.81924 5.68538 2.57686 -90.31062 991.43788
2660.0000 -96.60177 -91.50766 5.09411 2.50098 -91.21284 952.16322
2665.0000 -95.63565 -90.85022 4.78543 2.43795 -91.96229 903.53864
2670.0000 -94.94103 -89.53601 5.40503 2.56109 -90.49807 955.19777
2675.0000 -97.52231 -91.35797 6.16434 2.58198 -90.24975 1034.79895
2680.0000 -96.78580 -91.77154 5.01427 2.49045 -91.33810 923.88232
2685.0000 -96.69196 -91.26644 5.42551 2.47335 -91.54142 928.70889
2690.0000 -95.64046 -91.48964 4.15082 2.47554 -91.51529 930.03056
2695.0000 -95.82291 -91.87394 3.94896 2.47317 -91.54350 934.18761
2700.0000 -97.54016 -92.62053 4.91964 2.45167 -91.79915 937.60987
2705.0000 -97.51677 -91.79154 5.72523 2.42846 -92.07509 931.04130
2710.0000 -96.27605 -91.19282 5.08323 2.48193 -91.43940 939.23626
2715.0000 -96.31043 -90.20018 6.11024 2.57233 -90.36448 1011.07457
2720.0000 -96.42725 -90.70581 5.72144 2.54378 -90.70395 1009.20029
2725.0000 -97.45483 -92.42243 5.03239 2.43743 -91.96844 939.32171
2730.0000 -97.17920 -92.34698 4.83223 2.43878 -91.95236 909.45774
2735.0000 -94.82247 -90.26765 4.55482 2.52147 -90.96916 954.88825
2740.0000 -97.34265 -91.17017 6.17249 2.52557 -90.92044 927.44386
2745.0000 -96.06155 -90.31718 5.74437 2.49732 -91.25631 985.96884
2750.0000 -94.13771 -89.43988 4.69783 2.65844 -89.34063 1114.13097
FREEZING PROCESS: loop number 12 T-loop= 945.00000000000000
main_MD> interactions number 12 at Temperature= 945.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70714 -2.75100 1.55110
force_rgl> df(natom) 1.90650 0.81917 -1.78795
2755.0000 -94.74422 -89.35276 5.39146 2.68207 -89.05960 1073.58929
2760.0000 -95.94264 -90.56469 5.37795 2.63575 -89.61043 1044.71288
2765.0000 -95.50115 -90.21426 5.28690 2.56732 -90.42401 974.03265
2770.0000 -94.42795 -88.25666 6.17129 2.67776 -89.11092 1114.30151
2775.0000 -93.66658 -88.30945 5.35713 2.74957 -88.25710 1154.47849
2780.0000 -95.36553 -89.94226 5.42327 2.70630 -88.77159 1143.97935
2785.0000 -96.49097 -91.26106 5.22991 2.57349 -90.35069 999.89085
2790.0000 -96.26096 -90.51616 5.74481 2.55002 -90.62977 1001.68327
2795.0000 -95.08538 -90.44372 4.64166 2.54140 -90.73223 971.38229
2800.0000 -96.49420 -90.92405 5.57016 2.57035 -90.38805 995.84472
2805.0000 -97.64344 -92.02037 5.62308 2.49164 -91.32384 994.60170
2810.0000 -94.24466 -88.52996 5.71470 2.56133 -90.49528 1016.91456
2815.0000 -95.98893 -90.04985 5.93909 2.60498 -89.97630 999.12586
2820.0000 -96.08310 -89.40819 6.67491 2.59542 -90.08998 1020.73330
2825.0000 -95.93811 -90.68745 5.25065 2.56486 -90.45324 1025.96175
2830.0000 -95.75218 -90.37201 5.38017 2.54472 -90.69282 954.07372
2835.0000 -96.55263 -90.96701 5.58563 2.56219 -90.48506 1009.86777
2840.0000 -96.86525 -91.44607 5.41918 2.44661 -91.85930 935.27984
2845.0000 -96.73958 -93.06081 3.67877 2.44225 -91.91119 874.72070
2850.0000 -95.83320 -90.46423 5.36897 2.48518 -91.40072 926.96178
2855.0000 -95.62727 -90.67305 4.95422 2.56769 -90.41960 991.55995
2860.0000 -96.94004 -91.40367 5.53637 2.52999 -90.86787 964.94683
2865.0000 -93.80836 -89.12589 4.68247 2.56989 -90.39353 997.69514
2870.0000 -95.19776 -90.31492 4.88284 2.65098 -89.42926 1074.55222
2875.0000 -97.40916 -92.09228 5.31688 2.48177 -91.44126 925.72116
2880.0000 -97.89904 -92.84967 5.04937 2.39757 -92.44239 871.78093
2885.0000 -97.06369 -92.80569 4.25800 2.31889 -93.37795 846.17621
2890.0000 -96.82330 -92.37524 4.44806 2.40884 -92.30838 890.47050
2895.0000 -96.40673 -91.56541 4.84133 2.46032 -91.69632 901.86471
2900.0000 -97.02684 -92.05019 4.97666 2.48680 -91.38150 929.24981
2905.0000 -96.53874 -91.61570 4.92303 2.47134 -91.56527 946.10522
2910.0000 -97.71962 -91.90965 5.80996 2.44157 -91.91923 899.70063
2915.0000 -95.89908 -90.79829 5.10078 2.44155 -91.91948 877.22638
2920.0000 -96.11631 -91.36848 4.74783 2.46048 -91.69440 949.11790
2925.0000 -95.87061 -90.70130 5.16932 2.48148 -91.44466 945.37407
2930.0000 -97.17154 -92.85085 4.32069 2.47796 -91.48652 887.75417
2935.0000 -96.97963 -91.71004 5.26959 2.37091 -92.75935 827.11888
2940.0000 -95.52517 -89.81418 5.71099 2.53106 -90.85514 952.75651
2945.0000 -96.94261 -90.75255 6.19006 2.56883 -90.40608 1016.61689
2950.0000 -96.50388 -91.23724 5.26664 2.56284 -90.47732 1002.45145
2955.0000 -96.85792 -90.86874 5.98917 2.45108 -91.80619 945.19038
2960.0000 -95.71217 -89.61629 6.09587 2.52763 -90.89602 959.90239
2965.0000 -95.38243 -89.67021 5.71222 2.66088 -89.31154 1041.11019
2970.0000 -95.24139 -89.73122 5.51018 2.67769 -89.11169 1065.95127
2975.0000 -95.97838 -91.24964 4.72874 2.55807 -90.53402 981.38688
2980.0000 -95.21723 -90.19375 5.02348 2.61028 -89.91330 1059.14673
2985.0000 -95.98711 -91.42384 4.56326 2.54859 -90.64677 1013.33175
2990.0000 -97.04380 -91.88791 5.15589 2.45975 -91.70305 916.22974
2995.0000 -97.36808 -92.82891 4.53918 2.38738 -92.56360 883.03296
3000.0000 -95.53283 -90.69400 4.83883 2.51071 -91.09721 963.85845
FREEZING PROCESS: loop number 13 T-loop= 920.00000000000000
main_MD> interactions number 13 at Temperature= 920.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30170 4.72845 0.03593
force_rgl> df(natom) -3.56593 -6.18410 0.90408
3005.0000 -95.98657 -90.60577 5.38080 2.53175 -90.84695 955.31573
3010.0000 -96.25556 -91.42227 4.83329 2.53442 -90.81525 958.09564
3015.0000 -96.52448 -91.28801 5.23648 2.48607 -91.39014 907.10910
3020.0000 -96.90467 -92.22946 4.67521 2.37640 -92.69418 836.74607
3025.0000 -97.43995 -93.29701 4.14294 2.34163 -93.10752 808.65495
3030.0000 -95.23766 -91.34601 3.89165 2.46518 -91.63846 949.21646
3035.0000 -96.56339 -91.85312 4.71026 2.52246 -90.95745 959.89474
3040.0000 -95.86144 -92.15203 3.70941 2.46972 -91.58456 891.05678
3045.0000 -96.12615 -90.65703 5.46911 2.49670 -91.26374 943.79035
3050.0000 -95.55958 -90.05602 5.50356 2.54013 -90.74730 953.71873
3055.0000 -96.87385 -91.87763 4.99622 2.49623 -91.26938 955.47274
3060.0000 -97.52466 -92.77875 4.74590 2.38432 -92.59997 843.93462
3065.0000 -96.43690 -90.96095 5.47595 2.41785 -92.20126 834.32679
3070.0000 -96.59488 -91.18472 5.41016 2.51062 -91.09820 936.88387
3075.0000 -97.19384 -92.42172 4.77213 2.44439 -91.88574 944.12705
3080.0000 -95.65122 -90.56106 5.09016 2.49614 -91.27042 981.69431
3085.0000 -96.00543 -91.11670 4.88872 2.49280 -91.31016 924.77597
3090.0000 -95.95152 -89.61218 6.33934 2.53795 -90.77325 989.63447
3095.0000 -95.19993 -92.12447 3.07546 2.51225 -91.07890 923.95240
3100.0000 -97.46187 -92.34208 5.11978 2.42962 -92.06127 847.21437
3105.0000 -96.75385 -92.70729 4.04657 2.42092 -92.16477 865.53738
3110.0000 -95.63792 -91.51562 4.12230 2.47714 -91.49627 947.37771
3115.0000 -97.49350 -92.84544 4.64805 2.42620 -92.10201 851.20699
3120.0000 -96.14031 -90.25433 5.88597 2.47663 -91.50240 937.99496
3125.0000 -96.11560 -91.52620 4.58940 2.51857 -91.00374 928.09202
3130.0000 -96.41608 -91.25486 5.16122 2.48859 -91.36014 941.59738
3135.0000 -96.85263 -90.86982 5.98281 2.57308 -90.35556 1033.16523
3140.0000 -96.97644 -92.07294 4.90350 2.42600 -92.10434 886.18211
3145.0000 -97.41828 -92.97582 4.44246 2.36288 -92.85488 841.51538
3150.0000 -97.24825 -92.80331 4.44494 2.39244 -92.50336 818.64195
3155.0000 -95.77776 -90.97349 4.80427 2.47565 -91.51406 937.78386
3160.0000 -96.87941 -91.37190 5.50751 2.49854 -91.24184 965.86240
3165.0000 -95.68100 -90.84087 4.84013 2.50451 -91.17085 952.25753
3170.0000 -97.43699 -92.59301 4.84398 2.51666 -91.02641 974.25230
3175.0000 -97.06542 -92.97167 4.09375 2.38178 -92.63018 881.81231
3180.0000 -96.60339 -92.24040 4.36299 2.35077 -92.99890 884.20357
3185.0000 -96.54255 -91.93182 4.61073 2.39209 -92.50757 893.99938
3190.0000 -96.15715 -91.87526 4.28190 2.46358 -91.65752 897.43800
3195.0000 -95.66349 -89.82651 5.83698 2.55292 -90.59531 985.25059
3200.0000 -96.74886 -92.88830 3.86056 2.53499 -90.80846 976.26177
3205.0000 -96.64975 -92.24465 4.40510 2.34600 -93.05562 838.46443
3210.0000 -97.06123 -92.67017 4.39106 2.42596 -92.10490 833.36691
3215.0000 -97.70877 -93.14154 4.56722 2.39159 -92.51355 852.12245
3220.0000 -96.32744 -90.53171 5.79573 2.44220 -91.91171 900.63382
3225.0000 -96.97755 -92.14909 4.82846 2.53209 -90.84295 985.95801
3230.0000 -97.28671 -92.80423 4.48248 2.38730 -92.56449 850.09427
3235.0000 -96.58122 -91.69675 4.88446 2.43249 -92.02720 896.64383
3240.0000 -96.95118 -92.36830 4.58287 2.48493 -91.40372 910.26230
3245.0000 -97.92042 -93.70389 4.21653 2.36861 -92.78671 828.56579
3250.0000 -96.76335 -92.23513 4.52822 2.35076 -92.99904 849.93664
FREEZING PROCESS: loop number 14 T-loop= 895.00000000000000
main_MD> interactions number 14 at Temperature= 895.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75474 -1.65978 -0.30144
force_rgl> df(natom) 5.71442 -5.61764 -0.64108
3255.0000 -96.96855 -92.61424 4.35431 2.37692 -92.68798 835.05158
3260.0000 -95.67143 -90.97022 4.70121 2.44596 -91.86708 910.86212
3265.0000 -96.16342 -90.01820 6.14521 2.54603 -90.67715 1012.94994
3270.0000 -94.41137 -88.81911 5.59226 2.64781 -89.46697 1089.75514
3275.0000 -96.10060 -90.05709 6.04350 2.57833 -90.29316 1004.32294
3280.0000 -95.75283 -91.73341 4.01942 2.50147 -91.20704 904.59437
3285.0000 -96.79280 -90.74387 6.04893 2.51424 -91.05517 962.39362
3290.0000 -95.43277 -90.64719 4.78558 2.54980 -90.63234 995.75508
3295.0000 -95.23790 -90.65739 4.58052 2.57545 -90.32735 1027.36750
3300.0000 -94.61286 -89.02965 5.58321 2.54911 -90.64061 1003.67082
3305.0000 -96.45432 -89.57153 6.88278 2.62315 -89.76025 1050.28008
3310.0000 -95.92403 -90.40199 5.52205 2.63704 -89.59508 1064.34103
3315.0000 -96.87495 -92.01807 4.85688 2.48828 -91.36386 949.29395
3320.0000 -96.60097 -92.84834 3.75263 2.44358 -91.89531 923.72125
3325.0000 -95.23258 -89.63661 5.59597 2.54086 -90.73871 975.34840
3330.0000 -96.15711 -91.54022 4.61689 2.53348 -90.82643 986.36466
3335.0000 -96.92032 -92.46511 4.45520 2.42144 -92.15859 872.15058
3340.0000 -96.69699 -92.24577 4.45122 2.38083 -92.64144 845.13219
3345.0000 -96.40113 -91.45785 4.94328 2.44940 -91.82615 909.69351
3350.0000 -96.15888 -92.09959 4.05929 2.39639 -92.45647 868.79543
3355.0000 -96.83407 -92.28701 4.54706 2.35624 -92.93382 846.31523
3360.0000 -95.92386 -90.40486 5.51901 2.49364 -91.30014 954.03079
3365.0000 -96.67104 -91.55913 5.11191 2.52316 -90.94909 982.31457
3370.0000 -97.40771 -93.26079 4.14692 2.40956 -92.29987 885.15413
3375.0000 -97.14303 -92.22381 4.91922 2.37897 -92.66361 897.62635
3380.0000 -97.63658 -92.88716 4.74942 2.34243 -93.09802 838.09840
3385.0000 -98.16618 -93.33885 4.82733 2.36873 -92.78528 856.30266
3390.0000 -97.27474 -91.58566 5.68908 2.38907 -92.54349 876.04228
3395.0000 -97.02413 -92.23468 4.78945 2.45303 -91.78302 894.25179
3400.0000 -96.84986 -91.76799 5.08188 2.45372 -91.77474 890.84853
3405.0000 -95.93951 -90.66933 5.27018 2.46000 -91.70014 932.18364
3410.0000 -95.94858 -90.22576 5.72282 2.54218 -90.72293 985.31380
3415.0000 -96.21231 -91.33680 4.87551 2.53908 -90.75986 958.67825
3420.0000 -95.71167 -91.55013 4.16154 2.47817 -91.48406 892.53762
3425.0000 -95.67582 -89.90122 5.77460 2.53848 -90.76696 975.37416
3430.0000 -95.56225 -89.85684 5.70541 2.58016 -90.27134 1024.58714
3435.0000 -95.74727 -90.09739 5.64989 2.56365 -90.46770 990.98124
3440.0000 -95.21328 -90.71213 4.50115 2.56479 -90.45412 964.74716
3445.0000 -97.26167 -92.26148 5.00019 2.43703 -91.97326 920.01047
3450.0000 -98.57892 -94.64173 3.93720 2.27858 -93.85721 803.81276
3455.0000 -97.99573 -92.99480 5.00093 2.30441 -93.55008 814.09728
3460.0000 -95.50835 -90.96599 4.54236 2.39694 -92.44992 858.05262
3465.0000 -97.09494 -92.24548 4.84946 2.51742 -91.01740 971.37953
3470.0000 -98.54073 -92.60465 5.93608 2.40518 -92.35195 907.62994
3475.0000 -97.22364 -92.44565 4.77799 2.36586 -92.81943 853.59856
3480.0000 -97.86386 -92.86248 5.00139 2.32942 -93.25277 806.60217
3485.0000 -96.97685 -92.47571 4.50114 2.37851 -92.66906 852.49340
3490.0000 -95.61947 -91.20502 4.41445 2.47016 -91.57926 911.48762
3495.0000 -97.38545 -93.18260 4.20285 2.42234 -92.14790 871.66077
3500.0000 -96.43186 -91.81146 4.62040 2.47543 -91.51663 956.55844
FREEZING PROCESS: loop number 15 T-loop= 870.00000000000000
main_MD> interactions number 15 at Temperature= 870.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21864 0.94302 0.66151
force_rgl> df(natom) 0.67209 0.46188 3.93641
3505.0000 -96.82738 -93.05971 3.76767 2.38937 -92.53995 875.36252
3510.0000 -98.22699 -93.96840 4.25859 2.26143 -94.06114 741.66412
3515.0000 -96.39782 -92.64762 3.75020 2.28429 -93.78928 770.86334
3520.0000 -97.17953 -92.13676 5.04277 2.42259 -92.14495 910.51934
3525.0000 -97.07821 -91.94418 5.13404 2.48224 -91.43561 942.28429
3530.0000 -96.58949 -92.30985 4.27964 2.43912 -91.94841 920.86930
3535.0000 -98.27357 -92.74557 5.52801 2.35633 -92.93282 872.15359
3540.0000 -95.53477 -90.15798 5.37679 2.43272 -92.02447 903.55126
3545.0000 -96.50879 -91.22943 5.27936 2.51831 -91.00682 940.88729
3550.0000 -96.78352 -92.30071 4.48281 2.47334 -91.54148 919.29598
3555.0000 -96.43386 -91.24047 5.19339 2.42106 -92.16308 874.92197
3560.0000 -96.39571 -91.66387 4.73185 2.44932 -91.82707 895.48221
3565.0000 -97.20617 -92.07088 5.13529 2.41556 -92.22848 849.44248
3570.0000 -97.75927 -92.41906 5.34021 2.38690 -92.56931 874.50582
3575.0000 -96.50072 -92.32488 4.17585 2.42543 -92.11110 894.71357
3580.0000 -96.99635 -92.70666 4.28969 2.39560 -92.46581 866.55669
3585.0000 -96.81436 -92.28158 4.53277 2.42851 -92.07455 879.84759
3590.0000 -96.79115 -91.48020 5.31095 2.39141 -92.51567 880.13948
3595.0000 -97.01955 -92.88895 4.13060 2.44250 -91.90823 859.21283
3600.0000 -98.70858 -94.01855 4.69003 2.36317 -92.85141 825.49916
3605.0000 -97.27232 -92.65527 4.61706 2.32190 -93.34219 816.15289
3610.0000 -96.93313 -92.03560 4.89753 2.41773 -92.20270 880.31045
3615.0000 -96.07736 -90.35170 5.72566 2.45436 -91.76717 894.06061
3620.0000 -97.82257 -93.19794 4.62463 2.49458 -91.28893 943.22595
3625.0000 -96.81965 -93.49643 3.32322 2.32634 -93.28933 793.74958
3630.0000 -97.88815 -94.72241 3.16574 2.30609 -93.53010 767.51764
3635.0000 -98.44898 -94.31818 4.13080 2.25569 -94.12944 734.86125
3640.0000 -96.62066 -92.92526 3.69541 2.29005 -93.72087 750.20478
3645.0000 -97.74154 -92.72993 5.01161 2.38859 -92.54917 896.33015
3650.0000 -98.51664 -93.74668 4.76996 2.35046 -93.00259 869.02004
3655.0000 -97.27705 -92.32492 4.95213 2.29216 -93.69572 792.77106
3660.0000 -97.09251 -93.05952 4.03299 2.40217 -92.38771 887.44821
3665.0000 -96.52791 -92.00937 4.51854 2.37883 -92.66527 833.87890
3670.0000 -97.19907 -92.66708 4.53198 2.49709 -91.25908 932.97496
3675.0000 -96.52635 -90.79454 5.73181 2.48105 -91.44977 902.82682
3680.0000 -96.23511 -91.96205 4.27305 2.45127 -91.80388 885.19703
3685.0000 -98.43907 -93.52820 4.91087 2.39383 -92.48684 873.01115
3690.0000 -97.60105 -92.82725 4.77380 2.39241 -92.50379 864.85248
3695.0000 -96.68770 -92.43932 4.24838 2.37119 -92.75608 858.53115
3700.0000 -97.48672 -92.92965 4.55707 2.35268 -92.97618 827.37662
3705.0000 -96.57314 -91.89482 4.67832 2.36877 -92.78486 845.88780
3710.0000 -96.87490 -92.07208 4.80282 2.42609 -92.10326 865.66338
3715.0000 -97.08236 -92.46960 4.61277 2.42177 -92.15469 849.39890
3720.0000 -97.06225 -91.87192 5.19032 2.39843 -92.43216 845.86242
3725.0000 -97.15074 -91.96987 5.18087 2.41121 -92.28027 865.55262
3730.0000 -96.39862 -92.02782 4.37080 2.42326 -92.13693 818.99212
3735.0000 -96.43806 -91.59708 4.84098 2.44544 -91.87324 886.88472
3740.0000 -95.95022 -91.82525 4.12496 2.50185 -91.20252 954.28684
3745.0000 -96.61922 -92.16213 4.45710 2.40244 -92.38455 832.12378
3750.0000 -97.36643 -92.72736 4.63907 2.37511 -92.70943 841.84440
FREEZING PROCESS: loop number 16 T-loop= 845.00000000000000
main_MD> interactions number 16 at Temperature= 845.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89097 -0.58409 0.47723
force_rgl> df(natom) -3.57954 1.24892 1.35221
3755.0000 -97.25743 -92.66301 4.59442 2.38054 -92.64489 844.27073
3760.0000 -96.34064 -91.24501 5.09564 2.44313 -91.90068 916.66991
3765.0000 -95.98884 -90.30639 5.68245 2.54583 -90.67953 1009.45954
3770.0000 -95.60436 -90.53340 5.07097 2.58291 -90.23865 1004.85488
3775.0000 -96.57784 -91.46275 5.11509 2.52740 -90.89875 981.41759
3780.0000 -97.72724 -93.73156 3.99568 2.30961 -93.48831 827.54237
3785.0000 -97.02762 -91.78029 5.24733 2.40129 -92.39821 872.24267
3790.0000 -96.80919 -92.19902 4.61018 2.45833 -91.71994 894.68443
3795.0000 -95.70717 -90.72282 4.98435 2.52978 -90.87040 966.39570
3800.0000 -96.05405 -91.18561 4.86844 2.43781 -91.96391 856.61278
3805.0000 -96.62547 -92.15337 4.47210 2.48238 -91.43401 961.86419
3810.0000 -96.58439 -92.57870 4.00569 2.43267 -92.02507 866.52325
3815.0000 -96.70936 -92.28316 4.42620 2.45611 -91.74641 896.78642
3820.0000 -97.69102 -92.79163 4.89939 2.39131 -92.51682 850.38182
3825.0000 -96.40135 -92.80523 3.59612 2.37843 -92.66994 834.72560
3830.0000 -97.10418 -93.20218 3.90201 2.31908 -93.37569 804.74674
3835.0000 -98.34791 -93.04581 5.30211 2.32537 -93.30093 821.48848
3840.0000 -97.55928 -92.72472 4.83456 2.33398 -93.19851 806.70382
3845.0000 -96.63632 -92.15430 4.48202 2.42607 -92.10357 890.33112
3850.0000 -96.91402 -92.58393 4.33009 2.40780 -92.32080 871.50439
3855.0000 -96.80538 -91.75951 5.04587 2.45217 -91.79325 891.67794
3860.0000 -97.53709 -92.08536 5.45173 2.47345 -91.54013 940.65533
3865.0000 -98.04518 -93.32134 4.72384 2.35560 -92.94149 822.67069
3870.0000 -96.72524 -91.09929 5.62596 2.39205 -92.50801 884.53503
3875.0000 -97.27880 -92.57298 4.70582 2.39176 -92.51147 897.23175
3880.0000 -98.80804 -93.94980 4.85823 2.33722 -93.15997 833.85852
3885.0000 -97.33179 -93.02315 4.30864 2.31603 -93.41193 832.32521
3890.0000 -98.29850 -93.88167 4.41682 2.30963 -93.48806 799.28105
3895.0000 -97.67628 -93.01777 4.65851 2.30663 -93.52369 789.64450
3900.0000 -97.25955 -93.56019 3.69936 2.31484 -93.42604 813.15792
3905.0000 -96.34749 -92.49817 3.84932 2.36282 -92.85558 829.49314
3910.0000 -97.42986 -92.23168 5.19818 2.37767 -92.67904 807.07415
3915.0000 -97.40672 -92.99555 4.41117 2.35605 -92.93609 810.99510
3920.0000 -97.25876 -93.17581 4.08295 2.36226 -92.86222 858.14156
3925.0000 -96.70567 -93.24344 3.46223 2.35394 -92.96117 817.88972
3930.0000 -97.87864 -93.79334 4.08530 2.26038 -94.07360 754.33329
3935.0000 -97.80430 -93.43859 4.36571 2.33049 -93.23998 847.12834
3940.0000 -96.82675 -92.30672 4.52003 2.36016 -92.88724 844.34035
3945.0000 -96.96565 -92.64480 4.32085 2.38981 -92.53467 835.83127
3950.0000 -98.11838 -93.28475 4.83364 2.38023 -92.64857 839.96675
3955.0000 -98.58146 -92.14909 6.43237 2.37775 -92.67804 838.12522
3960.0000 -96.83652 -92.22477 4.61175 2.41830 -92.19591 913.40963
3965.0000 -98.03039 -92.81729 5.21310 2.39282 -92.49888 915.79184
3970.0000 -97.15135 -92.28778 4.86358 2.38128 -92.63608 868.13432
3975.0000 -97.12558 -93.43231 3.69327 2.33954 -93.13241 799.83943
3980.0000 -98.62656 -93.99102 4.63554 2.26802 -93.98274 748.00000
3985.0000 -96.76902 -93.04847 3.72055 2.31758 -93.39353 791.35251
3990.0000 -97.59130 -93.68417 3.90713 2.26000 -94.07817 722.34411
3995.0000 -97.31096 -93.40414 3.90683 2.31018 -93.48152 741.15044
4000.0000 -96.20747 -91.09218 5.11529 2.46070 -91.69179 927.87379
FREEZING PROCESS: loop number 17 T-loop= 820.00000000000000
main_MD> interactions number 17 at Temperature= 820.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.48264 7.21236 2.62147
force_rgl> df(natom) -0.28822 -3.05996 -4.14901
4005.0000 -97.65325 -92.80432 4.84893 2.39984 -92.41536 873.32375
4010.0000 -96.38310 -91.51365 4.86945 2.43294 -92.02183 879.12427
4015.0000 -96.52216 -91.79814 4.72402 2.42889 -92.07004 832.33197
4020.0000 -97.88655 -92.98215 4.90439 2.45078 -91.80979 885.03636
4025.0000 -97.86009 -94.05237 3.80772 2.31522 -93.42161 803.24128
4030.0000 -97.81684 -93.14393 4.67292 2.30300 -93.56685 771.80311
4035.0000 -98.32096 -94.20910 4.11187 2.28408 -93.79181 775.56828
4040.0000 -99.26725 -95.59303 3.67422 2.15530 -95.32304 668.14449
4045.0000 -98.22815 -94.69311 3.53504 2.17675 -95.06796 719.08549
4050.0000 -98.31415 -93.57722 4.73693 2.17409 -95.09965 694.24329
4055.0000 -97.25412 -93.46785 3.78627 2.31898 -93.37687 802.38383
4060.0000 -97.70251 -92.72147 4.98105 2.31530 -93.42057 822.75690
4065.0000 -98.94378 -95.62122 3.32256 2.19652 -94.83290 709.06097
4070.0000 -98.09789 -94.17979 3.91810 2.18331 -94.98996 687.11759
4075.0000 -98.39463 -93.78282 4.61181 2.28060 -93.83315 798.76345
4080.0000 -97.05839 -91.95966 5.09874 2.35855 -92.90633 855.54811
4085.0000 -96.26835 -91.46134 4.80701 2.45060 -91.81190 914.39304
4090.0000 -96.76384 -92.15635 4.60749 2.45233 -91.79127 870.58389
4095.0000 -96.62449 -91.79370 4.83078 2.45203 -91.79488 891.05023
4100.0000 -97.03072 -93.08310 3.94761 2.41146 -92.27720 852.29193
4105.0000 -97.19221 -92.51106 4.68115 2.38779 -92.55875 859.71813
4110.0000 -97.23835 -92.88723 4.35111 2.40956 -92.29984 874.08385
4115.0000 -96.31430 -91.91599 4.39832 2.39092 -92.52143 876.69410
4120.0000 -97.41797 -92.22006 5.19791 2.38927 -92.54115 887.04826
4125.0000 -97.22301 -92.77202 4.45099 2.36119 -92.87497 852.30971
4130.0000 -95.58269 -91.04592 4.53676 2.41532 -92.23141 898.97810
4135.0000 -96.74017 -92.50034 4.23983 2.43867 -91.95375 860.04696
4140.0000 -97.70334 -94.00061 3.70273 2.34694 -93.04440 821.54585
4145.0000 -96.94070 -93.31242 3.62828 2.28167 -93.82045 766.80407
4150.0000 -97.16698 -92.79220 4.37478 2.35124 -92.99323 838.08265
4155.0000 -97.44352 -93.21111 4.23241 2.31133 -93.46777 801.27815
4160.0000 -97.80625 -93.38771 4.41854 2.32053 -93.35848 825.41952
4165.0000 -97.30597 -92.69704 4.60893 2.36566 -92.82187 850.95187
4170.0000 -96.63016 -91.63620 4.99396 2.44855 -91.83620 935.56889
4175.0000 -97.93446 -92.52480 5.40966 2.41690 -92.21252 904.39774
4180.0000 -97.37591 -92.95047 4.42544 2.32979 -93.24829 837.86325
4185.0000 -96.71727 -92.50693 4.21034 2.35504 -92.94815 876.57918
4190.0000 -98.14281 -94.43165 3.71116 2.34468 -93.07122 834.85046
4195.0000 -96.45209 -92.60095 3.85114 2.36825 -92.79104 852.90294
4200.0000 -97.36750 -93.00446 4.36304 2.36982 -92.77237 842.82434
4205.0000 -96.70399 -92.23995 4.46404 2.36362 -92.84602 820.86317
4210.0000 -96.14955 -90.96307 5.18648 2.46809 -91.60396 950.41132
4215.0000 -97.40762 -92.43216 4.97546 2.47214 -91.55577 951.56797
4220.0000 -98.67401 -93.83944 4.83458 2.32527 -93.30210 820.37009
4225.0000 -97.38618 -93.11229 4.27390 2.30457 -93.54819 802.43239
4230.0000 -96.80684 -92.21875 4.58809 2.34048 -93.12121 809.19972
4235.0000 -96.47163 -92.18888 4.28276 2.43845 -91.95639 860.23652
4240.0000 -97.80780 -93.58105 4.22675 2.34283 -93.09333 798.50823
4245.0000 -97.38678 -93.84802 3.53876 2.29800 -93.62635 784.98339
4250.0000 -98.23483 -93.20779 5.02704 2.33460 -93.19118 812.63737
FREEZING PROCESS: loop number 18 T-loop= 795.00000000000000
main_MD> interactions number 18 at Temperature= 795.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.59404 1.31941 0.70963
force_rgl> df(natom) -0.17365 4.52343 -0.18747
4255.0000 -97.74318 -93.39379 4.34938 2.28546 -93.77537 791.93791
4260.0000 -98.21485 -95.05136 3.16350 2.27901 -93.85208 784.46675
4265.0000 -97.73079 -93.24168 4.48911 2.29343 -93.68065 793.32187
4270.0000 -97.13869 -91.97964 5.15905 2.35702 -92.92460 822.58403
4275.0000 -98.02849 -93.23341 4.79509 2.40866 -92.31059 901.86745
4280.0000 -97.55083 -93.47588 4.07495 2.31822 -93.38586 818.86843
4285.0000 -98.22495 -93.98265 4.24230 2.26120 -94.06391 768.06500
4290.0000 -98.02567 -93.98831 4.03735 2.27717 -93.87404 799.09740
4295.0000 -98.61205 -94.83305 3.77901 2.22535 -94.49012 775.18159
4300.0000 -98.96908 -94.70233 4.26674 2.16116 -95.25342 681.42851
4305.0000 -99.07386 -95.66190 3.41196 2.14695 -95.42232 691.94257
4310.0000 -98.35620 -93.81096 4.54524 2.23853 -94.33339 738.79657
4315.0000 -97.12363 -93.05630 4.06733 2.29751 -93.63219 810.46293
4320.0000 -97.83732 -92.99971 4.83761 2.30663 -93.52371 788.44805
4325.0000 -97.94937 -92.42512 5.52424 2.34250 -93.09717 839.10092
4330.0000 -96.47501 -91.34097 5.13403 2.41502 -92.23497 895.44985
4335.0000 -96.98007 -91.97792 5.00215 2.40498 -92.35434 878.43944
4340.0000 -97.16687 -93.54020 3.62667 2.36954 -92.77573 836.89613
4345.0000 -96.91208 -93.22214 3.68993 2.33173 -93.22528 815.12626
4350.0000 -97.75092 -93.42691 4.32401 2.33889 -93.14018 812.82989
4355.0000 -97.09858 -93.25427 3.84431 2.39128 -92.51714 837.00012
4360.0000 -97.28159 -93.22857 4.05302 2.36225 -92.86243 801.39835
4365.0000 -98.38390 -93.93187 4.45203 2.26951 -93.96512 746.40511
4370.0000 -97.26554 -93.07046 4.19509 2.31975 -93.36776 840.72517
4375.0000 -98.00738 -92.85177 5.15562 2.33260 -93.21491 842.23616
4380.0000 -97.40598 -94.09257 3.31340 2.29396 -93.67433 793.79432
4385.0000 -97.53752 -93.71178 3.82574 2.27797 -93.86446 751.76430
4390.0000 -98.53480 -94.04992 4.48488 2.29951 -93.60842 799.99620
4395.0000 -98.17530 -93.60767 4.56763 2.29269 -93.68947 801.05275
4400.0000 -97.60197 -92.53364 5.06832 2.35278 -92.97502 841.64110
4405.0000 -97.78031 -92.75850 5.02182 2.35685 -92.92660 853.48242
4410.0000 -97.72997 -94.26074 3.46924 2.32850 -93.26370 808.60167
4415.0000 -96.43052 -93.08881 3.34171 2.31409 -93.43498 789.73448
4420.0000 -97.90747 -93.63909 4.26838 2.33565 -93.17870 823.30659
4425.0000 -98.17590 -93.63835 4.53755 2.28312 -93.80326 747.03855
4430.0000 -97.76437 -93.26986 4.49451 2.32202 -93.34066 794.38008
4435.0000 -97.92058 -93.93029 3.99028 2.30326 -93.56374 808.66301
4440.0000 -98.90817 -94.58829 4.31988 2.27829 -93.86072 811.73297
4445.0000 -98.69490 -95.29854 3.39636 2.13518 -95.56223 674.75332
4450.0000 -98.53899 -95.12621 3.41277 2.17205 -95.12385 697.62816
4455.0000 -98.32021 -94.47895 3.84126 2.22649 -94.47664 697.46972
4460.0000 -98.30559 -95.39251 2.91308 2.15686 -95.30454 675.64736
4465.0000 -98.78450 -94.13985 4.64465 2.22082 -94.54397 714.58723
4470.0000 -96.84817 -92.26355 4.58462 2.30524 -93.54025 777.70912
4475.0000 -96.53545 -91.54333 4.99212 2.43647 -91.97991 899.09932
4480.0000 -98.25032 -94.09056 4.15975 2.29703 -93.63783 760.73488
4485.0000 -98.12824 -93.88912 4.23912 2.24297 -94.28065 712.19951
4490.0000 -96.32326 -91.12273 5.20054 2.40159 -92.39460 861.98652
4495.0000 -97.50280 -93.52545 3.97735 2.37215 -92.74462 876.76266
4500.0000 -97.41519 -93.47805 3.93714 2.32724 -93.27863 826.19179
FREEZING PROCESS: loop number 19 T-loop= 770.00000000000000
main_MD> interactions number 19 at Temperature= 770.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.74375 -0.41044 2.49226
force_rgl> df(natom) 0.58255 1.64746 0.22520
4505.0000 -99.03997 -94.82447 4.21550 2.31691 -93.40150 833.36568
4510.0000 -97.68388 -93.15147 4.53241 2.29207 -93.69679 754.86540
4515.0000 -97.15283 -92.52970 4.62313 2.36572 -92.82116 811.29960
4520.0000 -96.12934 -91.84669 4.28265 2.44495 -91.87903 873.99508
4525.0000 -96.86234 -92.56667 4.29566 2.43140 -92.04010 853.15233
4530.0000 -97.95416 -93.62238 4.33178 2.35168 -92.98802 832.43534
4535.0000 -98.06448 -94.66577 3.39871 2.29000 -93.72149 798.47896
4540.0000 -98.18185 -93.62983 4.55201 2.27514 -93.89815 762.36062
4545.0000 -96.68338 -93.09960 3.58378 2.31165 -93.46406 740.41030
4550.0000 -97.93722 -94.10921 3.82801 2.33044 -93.24060 791.76789
4555.0000 -98.28693 -94.32739 3.95954 2.27351 -93.91750 793.75316
4560.0000 -97.85847 -94.09646 3.76201 2.25037 -94.19264 790.41898
4565.0000 -98.49568 -94.71848 3.77720 2.23281 -94.40139 751.16737
4570.0000 -99.06517 -95.73035 3.33483 2.18452 -94.97564 708.04218
4575.0000 -99.25651 -95.32407 3.93244 2.19335 -94.87062 734.08498
4580.0000 -97.52097 -94.28357 3.23740 2.18700 -94.94609 722.32123
4585.0000 -97.83089 -93.55397 4.27692 2.29046 -93.71602 777.64261
4590.0000 -97.38395 -93.32333 4.06062 2.27929 -93.84874 799.34321
4595.0000 -97.73852 -93.11413 4.62439 2.34191 -93.10419 842.28961
4600.0000 -97.53713 -93.23786 4.29927 2.31177 -93.46255 803.66601
4605.0000 -97.57479 -93.29109 4.28370 2.36707 -92.80511 846.08924
4610.0000 -97.66303 -93.01965 4.64338 2.28010 -93.83918 768.92747
4615.0000 -98.00646 -94.16794 3.83852 2.33671 -93.16604 814.44068
4620.0000 -98.25020 -94.17367 4.07653 2.25702 -94.11361 774.04263
4625.0000 -98.18805 -93.72773 4.46032 2.25504 -94.13710 750.46507
4630.0000 -98.76797 -94.91382 3.85415 2.24513 -94.25490 757.52348
4635.0000 -98.15199 -94.08927 4.06272 2.26423 -94.02784 783.17484
4640.0000 -99.24020 -94.97874 4.26147 2.23392 -94.38824 767.78729
4645.0000 -98.07649 -94.38480 3.69168 2.20492 -94.73307 731.31692
4650.0000 -98.00128 -94.64962 3.35166 2.23249 -94.40519 740.43659
4655.0000 -98.11174 -94.05600 4.05574 2.25855 -94.09537 760.28193
4660.0000 -97.59950 -93.04330 4.55620 2.33568 -93.17833 802.52474
4665.0000 -98.36231 -94.40708 3.95522 2.24478 -94.25906 767.15030
4670.0000 -99.09557 -94.14123 4.95434 2.24637 -94.24023 771.27195
4675.0000 -98.36189 -94.59348 3.76841 2.26081 -94.06855 783.63589
4680.0000 -98.83571 -95.37434 3.46137 2.19157 -94.89182 725.85597
4685.0000 -98.89107 -95.69912 3.19195 2.09657 -96.02132 616.09146
4690.0000 -98.81332 -94.49743 4.31589 2.14437 -95.45297 675.77224
4695.0000 -99.43885 -95.72998 3.70886 2.18129 -95.01398 712.62798
4700.0000 -97.71009 -94.02454 3.68555 2.16134 -95.25126 678.26248
4705.0000 -96.94653 -93.54976 3.39677 2.27532 -93.89596 755.56144
4710.0000 -98.67272 -94.10719 4.56552 2.27461 -93.90443 719.98476
4715.0000 -98.04733 -94.24392 3.80341 2.23813 -94.33814 723.79801
4720.0000 -98.00294 -94.10879 3.89415 2.22419 -94.50392 693.13507
4725.0000 -98.80879 -94.69900 4.10979 2.24733 -94.22883 775.65697
4730.0000 -97.74995 -94.49256 3.25739 2.23373 -94.39044 760.30770
4735.0000 -98.14003 -94.00014 4.13989 2.27579 -93.89042 787.94677
4740.0000 -97.30045 -92.55321 4.74724 2.32777 -93.27235 793.32065
4745.0000 -98.45651 -93.92470 4.53181 2.21693 -94.59024 707.35266
4750.0000 -96.80946 -93.21191 3.59755 2.28832 -93.74136 789.65523
FREEZING PROCESS: loop number 20 T-loop= 745.00000000000000
main_MD> interactions number 20 at Temperature= 745.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.69180 -2.53252 -0.80813
force_rgl> df(natom) -1.24134 1.69429 -0.13731
4755.0000 -97.32900 -93.62731 3.70169 2.29212 -93.69623 774.83113
4760.0000 -98.83754 -94.18147 4.65607 2.27492 -93.90079 771.46465
4765.0000 -97.55140 -92.58653 4.96487 2.31176 -93.46270 813.99781
4770.0000 -99.15232 -95.02918 4.12314 2.33368 -93.20210 834.27571
4775.0000 -97.95124 -93.78055 4.17070 2.23029 -94.43144 742.93483
4780.0000 -97.61693 -93.50756 4.10937 2.32900 -93.25773 828.90903
4785.0000 -98.53369 -94.34435 4.18934 2.28317 -93.80267 790.48781
4790.0000 -97.62581 -93.94594 3.67987 2.28792 -93.74614 814.84767
4795.0000 -97.49949 -93.32781 4.17168 2.22809 -94.45753 729.81068
4800.0000 -98.19723 -94.60138 3.59584 2.27460 -93.90449 764.86706
4805.0000 -97.89970 -94.54172 3.35797 2.23637 -94.35907 716.10585
4810.0000 -98.09866 -93.85000 4.24866 2.32655 -93.28685 799.22549
4815.0000 -98.86598 -95.06196 3.80402 2.20331 -94.75214 703.69702
4820.0000 -98.08385 -93.72993 4.35392 2.21714 -94.58775 682.30563
4825.0000 -97.89898 -93.29166 4.60732 2.23376 -94.39009 709.25038
4830.0000 -97.29083 -92.79198 4.49884 2.34864 -93.02418 797.35600
4835.0000 -97.30040 -93.58421 3.71619 2.32923 -93.25494 793.18752
4840.0000 -97.79681 -94.13535 3.66146 2.26191 -94.05547 770.59219
4845.0000 -99.22819 -95.05028 4.17791 2.24908 -94.20795 735.93435
4850.0000 -99.10981 -95.16369 3.94613 2.19394 -94.86355 698.31504
4855.0000 -98.05267 -94.98112 3.07154 2.20576 -94.72310 728.01519
4860.0000 -97.60631 -94.52000 3.08631 2.22379 -94.50872 732.91956
4865.0000 -98.81250 -95.00885 3.80366 2.19607 -94.83822 678.08215
4870.0000 -98.49981 -94.84184 3.65797 2.19337 -94.87038 711.14215
4875.0000 -99.33106 -95.47654 3.85452 2.21474 -94.61624 730.51913
4880.0000 -98.88449 -95.21783 3.66666 2.13367 -95.58029 650.47935
4885.0000 -97.27489 -93.49961 3.77528 2.19389 -94.86421 691.22315
4890.0000 -96.99605 -93.32212 3.67393 2.36444 -92.83638 841.67946
4895.0000 -97.20911 -92.81160 4.39752 2.32644 -93.28819 816.97435
4900.0000 -97.70944 -93.75581 3.95364 2.35465 -92.95270 860.85575
4905.0000 -96.77394 -93.44929 3.32466 2.26889 -93.97241 777.45508
4910.0000 -98.94715 -93.99349 4.95365 2.26236 -94.05004 763.73832
4915.0000 -98.74067 -94.28969 4.45098 2.21911 -94.56430 728.17599
4920.0000 -97.71618 -93.49364 4.22253 2.29353 -93.67952 804.41154
4925.0000 -97.68503 -93.68321 4.00182 2.34445 -93.07399 824.34434
4930.0000 -98.05207 -93.86253 4.18955 2.25743 -94.10875 780.84607
4935.0000 -98.10013 -94.16458 3.93555 2.25029 -94.19361 755.03063
4940.0000 -98.49267 -94.20516 4.28751 2.25569 -94.12941 751.53419
4945.0000 -97.17614 -93.17367 4.00247 2.31647 -93.40673 820.80229
4950.0000 -97.61278 -93.17369 4.43908 2.33440 -93.19346 819.80747
4955.0000 -98.26896 -94.27759 3.99137 2.28431 -93.78904 765.36472
4960.0000 -97.00348 -91.83033 5.17315 2.38256 -92.62091 870.91571
4965.0000 -97.87112 -94.32331 3.54781 2.33535 -93.18224 801.61959
4970.0000 -96.43730 -91.99338 4.44392 2.30210 -93.57754 779.79384
4975.0000 -98.81909 -94.51314 4.30595 2.35550 -92.94268 837.16876
4980.0000 -97.02965 -94.16254 2.86710 2.20357 -94.74907 737.40043
4985.0000 -97.98956 -94.58285 3.40672 2.25535 -94.13341 746.80881
4990.0000 -97.74290 -94.18566 3.55725 2.24130 -94.30050 761.84849
4995.0000 -98.30818 -94.47987 3.82830 2.20668 -94.71212 709.39041
5000.0000 -97.84210 -94.61988 3.22222 2.22171 -94.53340 705.58828
FREEZING PROCESS: loop number 21 T-loop= 720.00000000000000
main_MD> interactions number 21 at Temperature= 720.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00676 -4.49616 4.32076
force_rgl> df(natom) 1.30775 -0.69066 0.68804
5005.0000 -98.53020 -94.54458 3.98562 2.20968 -94.67650 697.96932
5010.0000 -98.57926 -95.04479 3.53447 2.17674 -95.06818 671.54828
5015.0000 -98.36858 -94.88545 3.48313 2.21759 -94.58242 709.17702
5020.0000 -98.43665 -94.72385 3.71280 2.21500 -94.61315 686.60951
5025.0000 -99.95410 -95.69170 4.26239 2.21111 -94.65949 720.88340
5030.0000 -99.04658 -95.40494 3.64165 2.16597 -95.19623 659.45666
5035.0000 -97.76932 -93.98246 3.78686 2.22067 -94.54583 712.69459
5040.0000 -99.72390 -95.79759 3.92631 2.19307 -94.87393 715.40754
5045.0000 -98.49085 -95.35040 3.14044 2.14716 -95.41986 684.30261
5050.0000 -98.28206 -94.19093 4.09114 2.22441 -94.50132 709.94624
5055.0000 -97.64562 -94.01151 3.63411 2.26459 -94.02351 756.55715
5060.0000 -97.96380 -94.49379 3.47001 2.22126 -94.53872 720.13680
5065.0000 -98.37911 -95.38287 2.99624 2.20485 -94.73392 692.94001
5070.0000 -98.87004 -95.21786 3.65218 2.15324 -95.34760 697.03087
5075.0000 -98.90903 -94.87949 4.02954 2.17768 -95.05698 719.89106
5080.0000 -98.77165 -94.29094 4.48071 2.17742 -95.06006 706.51334
5085.0000 -98.87867 -94.91159 3.96708 2.18762 -94.93879 689.04825
5090.0000 -99.11044 -95.47263 3.63781 2.19208 -94.88570 692.13933
5095.0000 -98.97822 -94.86454 4.11368 2.15796 -95.29137 689.42169
5100.0000 -97.86304 -94.48560 3.37743 2.23350 -94.39328 738.21259
5105.0000 -98.75154 -94.91938 3.83215 2.25588 -94.12708 759.63405
5110.0000 -98.47787 -94.75738 3.72049 2.18732 -94.94231 708.66701
5115.0000 -98.99147 -94.68961 4.30186 2.23637 -94.35907 736.75247
5120.0000 -97.26921 -93.90622 3.36298 2.20882 -94.68669 703.49293
5125.0000 -98.53562 -94.97795 3.55768 2.22104 -94.54138 716.46902
5130.0000 -99.20751 -95.10326 4.10425 2.16740 -95.17923 661.45652
5135.0000 -99.37420 -96.65558 2.71862 2.10321 -95.94247 604.79465
5140.0000 -98.29136 -94.29195 3.99940 2.13908 -95.51590 647.17150
5145.0000 -98.04975 -95.18667 2.86308 2.17620 -95.07458 690.72363
5150.0000 -98.46400 -94.14490 4.31910 2.17506 -95.08815 705.80604
5155.0000 -98.83024 -94.07087 4.75937 2.26395 -94.03113 738.71742
5160.0000 -98.39807 -95.10458 3.29349 2.21669 -94.59310 729.26286
5165.0000 -99.30796 -94.80155 4.50641 2.16841 -95.16713 708.43540
5170.0000 -99.18675 -95.75138 3.43537 2.18280 -94.99611 726.07199
5175.0000 -98.84949 -95.36587 3.48363 2.12585 -95.67327 660.89383
5180.0000 -99.09918 -95.52017 3.57901 2.15386 -95.34015 683.34516
5185.0000 -97.84080 -93.81243 4.02837 2.22598 -94.48269 752.24961
5190.0000 -98.67322 -94.54353 4.12969 2.25280 -94.16376 776.13123
5195.0000 -97.74063 -93.78222 3.95841 2.19219 -94.88439 715.76307
5200.0000 -99.03918 -95.19104 3.84814 2.23398 -94.38753 736.07644
5205.0000 -99.13226 -96.19301 2.93925 2.12785 -95.64946 666.64361
5210.0000 -99.54242 -95.60357 3.93884 2.10374 -95.93605 621.65106
5215.0000 -98.33047 -94.54366 3.78681 2.12080 -95.73327 638.30530
5220.0000 -98.51656 -94.53760 3.97896 2.18962 -94.91500 712.80170
5225.0000 -99.68721 -95.68792 3.99929 2.17244 -95.11925 699.74371
5230.0000 -99.38499 -95.16106 4.22393 2.13621 -95.55002 689.21488
5235.0000 -97.82747 -94.03560 3.79187 2.20052 -94.78538 700.69283
5240.0000 -97.97125 -93.61361 4.35764 2.28404 -93.79225 791.01190
5245.0000 -97.92629 -94.13668 3.78961 2.26535 -94.01455 772.90870
5250.0000 -99.31884 -95.78649 3.53236 2.18146 -95.01202 698.59273
FREEZING PROCESS: loop number 22 T-loop= 695.00000000000000
main_MD> interactions number 22 at Temperature= 695.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83019 -2.79316 -1.19506
force_rgl> df(natom) 0.16292 -0.40042 0.60387
5255.0000 -99.18791 -95.01179 4.17612 2.14691 -95.42275 669.75834
5260.0000 -98.73113 -95.03219 3.69894 2.19461 -94.85567 724.12219
5265.0000 -98.70980 -94.96784 3.74195 2.16996 -95.14875 693.79714
5270.0000 -99.07017 -94.81109 4.25909 2.16170 -95.24694 703.81185
5275.0000 -98.68477 -95.34435 3.34042 2.17129 -95.13287 691.57685
5280.0000 -97.64852 -94.15115 3.49737 2.18955 -94.91580 702.27210
5285.0000 -97.50317 -94.39487 3.10830 2.23849 -94.33386 693.42855
5290.0000 -97.45092 -94.31896 3.13196 2.26309 -94.04141 747.19943
5295.0000 -97.87059 -94.44787 3.42272 2.23634 -94.35942 743.54485
5300.0000 -98.28945 -94.57321 3.71624 2.24223 -94.28941 713.81566
5305.0000 -98.78312 -95.74414 3.03898 2.21166 -94.65292 741.71151
5310.0000 -99.33350 -95.73467 3.59883 2.11550 -95.79629 608.14820
5315.0000 -98.84491 -95.30749 3.53742 2.17389 -95.10197 652.88688
5320.0000 -99.03105 -94.30568 4.72537 2.15964 -95.27141 677.08766
5325.0000 -97.63548 -94.17787 3.45761 2.26025 -94.07521 775.82893
5330.0000 -97.99410 -94.75775 3.23635 2.22075 -94.54478 719.68140
5335.0000 -99.47942 -95.40358 4.07584 2.17422 -95.09809 687.48859
5340.0000 -98.47013 -94.63476 3.83537 2.15120 -95.37183 691.89395
5345.0000 -98.62110 -94.94385 3.67725 2.18909 -94.92128 713.58286
5350.0000 -99.00494 -95.27748 3.72745 2.15445 -95.33315 680.42339
5355.0000 -99.08304 -94.97770 4.10534 2.21587 -94.60284 697.73545
5360.0000 -99.03457 -94.62674 4.40782 2.16178 -95.24599 690.27268
5365.0000 -98.76406 -94.60339 4.16068 2.21995 -94.55429 748.05965
5370.0000 -99.03729 -95.22368 3.81361 2.18336 -94.98945 700.71461
5375.0000 -99.65549 -96.24579 3.40970 2.12256 -95.71236 678.82185
5380.0000 -99.50953 -95.13765 4.37188 2.08162 -96.19912 613.12013
5385.0000 -98.83342 -95.68296 3.15046 2.17898 -95.04146 713.19168
5390.0000 -99.02019 -94.86275 4.15744 2.14169 -95.48487 669.68446
5395.0000 -99.02011 -93.30303 5.71708 2.25110 -94.18399 790.58289
5400.0000 -98.19809 -94.12380 4.07429 2.28894 -93.73407 782.65994
5405.0000 -98.81294 -94.64794 4.16500 2.23092 -94.42390 766.85030
5410.0000 -98.59108 -95.16065 3.43043 2.20270 -94.75942 698.27907
5415.0000 -99.24417 -96.16367 3.08050 2.12035 -95.73865 630.71386
5420.0000 -99.73825 -97.06853 2.66972 2.07233 -96.30957 596.32061
5425.0000 -98.99205 -94.84708 4.14496 2.09707 -96.01540 632.08004
5430.0000 -98.43637 -94.24188 4.19449 2.16009 -95.26607 680.81306
5435.0000 -97.57454 -93.05080 4.52374 2.30410 -93.55376 768.10436
5440.0000 -97.23629 -93.64398 3.59231 2.29187 -93.69924 759.59840
5445.0000 -98.52306 -95.10376 3.41931 2.20001 -94.79142 683.99504
5450.0000 -99.27555 -95.39998 3.87557 2.14794 -95.41053 668.90803
5455.0000 -97.83662 -94.52658 3.31004 2.17264 -95.11683 683.56413
5460.0000 -99.24727 -95.37093 3.87634 2.19993 -94.79236 727.53250
5465.0000 -99.48766 -96.14068 3.34698 2.13420 -95.57391 666.19203
5470.0000 -99.84995 -95.56282 4.28712 2.08212 -96.19318 624.60011
5475.0000 -98.50037 -94.71925 3.78112 2.15208 -95.36138 660.57433
5480.0000 -98.26089 -94.47897 3.78192 2.22756 -94.46392 741.52580
5485.0000 -98.84162 -95.04016 3.80146 2.23236 -94.40681 731.29349
5490.0000 -98.28287 -94.92673 3.35614 2.18637 -94.95358 713.54514
5495.0000 -99.15408 -94.14987 5.00422 2.23329 -94.39578 748.98347
5500.0000 -99.21726 -95.93611 3.28115 2.16590 -95.19704 652.42477
FREEZING PROCESS: loop number 23 T-loop= 670.00000000000000
main_MD> interactions number 23 at Temperature= 670.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84817 0.53475 -1.06013
force_rgl> df(natom) 5.94965 -1.73778 -1.62112
5505.0000 -98.81631 -95.49420 3.32210 2.14268 -95.47307 654.51606
5510.0000 -98.17931 -94.36138 3.81794 2.17978 -95.03202 688.80013
5515.0000 -97.84497 -94.45308 3.39190 2.21866 -94.56967 716.56881
5520.0000 -98.06648 -94.16767 3.89880 2.24146 -94.29856 728.55663
5525.0000 -98.61579 -95.13486 3.48094 2.23365 -94.39142 734.10759
5530.0000 -98.19430 -94.60409 3.59021 2.20541 -94.72727 718.11612
5535.0000 -98.53067 -95.63274 2.89793 2.16324 -95.22865 663.69425
5540.0000 -98.93658 -96.17137 2.76521 2.10161 -95.96147 629.76269
5545.0000 -99.11698 -96.17115 2.94583 2.05561 -96.50841 572.05261
5550.0000 -98.82625 -95.56750 3.25876 2.12625 -95.66847 614.75251
5555.0000 -97.90747 -95.02074 2.88673 2.14919 -95.39566 639.81755
5560.0000 -99.21302 -94.83933 4.37368 2.19764 -94.81961 710.31296
5565.0000 -97.78905 -94.24568 3.54337 2.22596 -94.48285 715.34735
5570.0000 -99.04823 -95.57225 3.47597 2.20997 -94.67301 706.13827
5575.0000 -98.11296 -95.02534 3.08762 2.16632 -95.19205 617.62263
5580.0000 -98.72607 -95.64566 3.08041 2.18334 -94.98961 672.41835
5585.0000 -98.54959 -94.61405 3.93554 2.18788 -94.93565 692.76422
5590.0000 -98.20931 -93.86716 4.34215 2.23505 -94.37478 764.57552
5595.0000 -97.93043 -94.60388 3.32655 2.24190 -94.29336 698.89647
5600.0000 -98.56559 -95.58847 2.97711 2.15591 -95.31585 636.44181
5605.0000 -98.03070 -93.47210 4.55860 2.21054 -94.66627 738.83228
5610.0000 -97.64029 -93.85879 3.78150 2.30632 -93.52740 802.91766
5615.0000 -97.89588 -94.52879 3.36708 2.22673 -94.47378 716.47685
5620.0000 -98.06763 -94.98863 3.07901 2.17689 -95.06634 698.08429
5625.0000 -99.21618 -95.08863 4.12755 2.17770 -95.05671 692.08935
5630.0000 -99.72741 -96.07945 3.64796 2.11625 -95.78736 679.41524
5635.0000 -99.09738 -95.59276 3.50462 2.12671 -95.66301 672.40682
5640.0000 -99.10658 -94.73588 4.37070 2.15640 -95.30993 659.03983
5645.0000 -98.83737 -95.63734 3.20003 2.18546 -94.96440 695.65256
5650.0000 -99.02522 -95.79406 3.23117 2.13713 -95.53907 671.09260
5655.0000 -99.26823 -94.93870 4.32953 2.12998 -95.62416 669.86571
5660.0000 -98.46936 -94.83304 3.63632 2.15887 -95.28064 643.29153
5665.0000 -98.46322 -94.54440 3.91882 2.17878 -95.04381 667.93893
5670.0000 -99.53596 -96.15722 3.37875 2.13236 -95.59578 654.59590
5675.0000 -99.26617 -95.97499 3.29118 2.12027 -95.73962 636.25068
5680.0000 -99.06633 -95.20168 3.86466 2.15259 -95.35522 659.47918
5685.0000 -99.34826 -95.31085 4.03741 2.17728 -95.06164 717.23610
5690.0000 -99.57177 -96.21838 3.35339 2.09991 -95.98169 622.28436
5695.0000 -99.64810 -95.45459 4.19351 2.10409 -95.93195 650.35032
5700.0000 -99.34585 -95.20409 4.14176 2.13836 -95.52448 682.86813
5705.0000 -99.30062 -96.15756 3.14306 2.14061 -95.49771 676.98419
5710.0000 -99.61822 -96.38127 3.23694 2.10569 -95.91297 640.88973
5715.0000 -98.56650 -95.33299 3.23351 2.10964 -95.86598 627.71177
5720.0000 -97.89198 -94.92017 2.97181 2.21910 -94.56445 717.72822
5725.0000 -99.00948 -95.02716 3.98232 2.19494 -94.85176 699.25347
5730.0000 -99.29386 -95.19522 4.09864 2.16676 -95.18679 690.21524
5735.0000 -99.41669 -95.87971 3.53698 2.10159 -95.96164 635.64717
5740.0000 -98.65020 -95.94934 2.70086 2.14921 -95.39542 663.18299
5745.0000 -99.81043 -96.37321 3.43722 2.09394 -96.05262 610.83922
5750.0000 -99.44329 -96.03520 3.40809 2.03454 -96.75894 567.76842
FREEZING PROCESS: loop number 24 T-loop= 645.00000000000000
main_MD> interactions number 24 at Temperature= 645.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61124 0.08083 -1.18634
force_rgl> df(natom) -0.30253 2.27308 -1.82225
5755.0000 -99.54528 -95.79836 3.74693 2.09521 -96.03756 644.78174
5760.0000 -98.56148 -94.94404 3.61744 2.11851 -95.76048 656.87796
5765.0000 -98.91428 -95.04718 3.86710 2.15850 -95.28495 698.19904
5770.0000 -98.92118 -95.96157 2.95961 2.11881 -95.75692 652.17641
5775.0000 -99.06139 -95.23020 3.83119 2.11621 -95.78785 647.06971
5780.0000 -98.10406 -94.94281 3.16125 2.16576 -95.19872 710.05751
5785.0000 -98.79325 -95.25109 3.54216 2.17998 -95.02964 690.81466
5790.0000 -98.62697 -95.34375 3.28322 2.21503 -94.61286 737.20328
5795.0000 -99.34979 -95.68244 3.66735 2.18273 -94.99690 704.46068
5800.0000 -98.82685 -95.23317 3.59368 2.13653 -95.54628 705.66538
5805.0000 -98.26906 -94.57193 3.69713 2.22712 -94.46907 721.79472
5810.0000 -98.61008 -94.60269 4.00738 2.22453 -94.49986 720.36184
5815.0000 -98.66919 -95.26839 3.40079 2.19396 -94.86339 681.03916
5820.0000 -99.05487 -95.55347 3.50141 2.13492 -95.56536 654.83787
5825.0000 -99.15104 -95.35415 3.79689 2.12730 -95.65591 650.05821
5830.0000 -99.92139 -95.46201 4.45938 2.13624 -95.54968 669.63863
5835.0000 -98.71093 -95.02959 3.68134 2.16937 -95.15570 678.59867
5840.0000 -98.27008 -95.40910 2.86098 2.15214 -95.36056 649.19448
5845.0000 -98.83412 -95.12127 3.71285 2.13717 -95.53858 639.39037
5850.0000 -99.10013 -95.57819 3.52194 2.14279 -95.47180 676.38349
5855.0000 -99.49112 -95.98345 3.50768 2.12786 -95.64934 687.49880
5860.0000 -100.00157 -96.38967 3.61190 2.06459 -96.40156 603.68782
5865.0000 -98.57708 -94.98444 3.59264 2.10337 -95.94051 630.42401
5870.0000 -100.02165 -96.04996 3.97169 2.11686 -95.78005 644.18362
5875.0000 -100.06498 -96.39370 3.67128 2.10324 -95.94211 631.91838
5880.0000 -99.48413 -96.58369 2.90044 2.06266 -96.42457 581.95208
5885.0000 -98.91329 -95.59293 3.32036 2.06640 -96.38009 594.48296
5890.0000 -99.28036 -96.23811 3.04225 2.09760 -96.00905 624.68997
5895.0000 -99.30197 -96.20113 3.10085 2.06544 -96.39154 604.24728
5900.0000 -99.39700 -95.13535 4.26166 2.16137 -95.25091 675.04237
5905.0000 -98.81764 -95.36956 3.44808 2.18042 -95.02440 702.94561
5910.0000 -99.51804 -95.84770 3.67034 2.13884 -95.51879 652.90927
5915.0000 -99.35565 -95.33777 4.01788 2.11064 -95.85408 663.13871
5920.0000 -99.43361 -95.74030 3.69331 2.16709 -95.18287 725.59109
5925.0000 -100.08413 -96.44233 3.64181 2.08383 -96.17285 631.02982
5930.0000 -99.20127 -95.16148 4.03979 2.11659 -95.78328 631.86376
5935.0000 -98.22418 -93.90154 4.32263 2.21762 -94.58207 700.95473
5940.0000 -98.32476 -94.82135 3.50341 2.25540 -94.13289 759.97839
5945.0000 -99.07730 -95.50341 3.57389 2.14586 -95.43527 634.68623
5950.0000 -100.18689 -97.30334 2.88355 2.10625 -95.90623 642.53602
5955.0000 -99.69775 -96.36317 3.33458 2.05984 -96.45815 570.36152
5960.0000 -100.16278 -97.33153 2.83125 2.06341 -96.41563 597.11916
5965.0000 -99.43446 -96.16389 3.27056 2.04222 -96.66756 603.86026
5970.0000 -98.98240 -95.53134 3.45106 2.12461 -95.68791 661.02816
5975.0000 -98.64655 -95.13903 3.50752 2.13806 -95.52803 667.91734
5980.0000 -98.44590 -94.85606 3.58984 2.17418 -95.09852 704.02964
5985.0000 -99.61829 -95.65200 3.96629 2.14887 -95.39953 682.46064
5990.0000 -99.72940 -95.69201 4.03740 2.17921 -95.03869 706.29561
5995.0000 -98.29148 -93.92959 4.36190 2.18279 -94.99623 705.25398
6000.0000 -98.45300 -94.79330 3.65970 2.21491 -94.61426 710.60735
FREEZING PROCESS: loop number 25 T-loop= 620.00000000000000
main_MD> interactions number 25 at Temperature= 620.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14837 2.29555 1.74946
force_rgl> df(natom) 3.11114 -1.07184 -0.96424
6005.0000 -97.88982 -94.65663 3.23319 2.21361 -94.62974 717.11216
6010.0000 -99.65605 -95.58950 4.06656 2.16242 -95.23844 641.98245
6015.0000 -99.53475 -95.86340 3.67135 2.12367 -95.69913 652.99300
6020.0000 -99.86139 -96.46015 3.40124 2.10921 -95.87105 644.79273
6025.0000 -99.58173 -97.39560 2.18613 2.02142 -96.91490 539.90286
6030.0000 -99.84717 -96.47831 3.36885 1.99877 -97.18424 531.90265
6035.0000 -99.92140 -96.37586 3.54554 2.04004 -96.69357 558.55088
6040.0000 -100.05745 -96.23416 3.82329 2.04759 -96.60369 575.17077
6045.0000 -99.64000 -96.39511 3.24489 2.06300 -96.42054 596.70197
6050.0000 -99.80121 -96.23888 3.56232 2.09813 -96.00283 612.30811
6055.0000 -99.15988 -96.00858 3.15130 2.09224 -96.07290 633.41370
6060.0000 -99.72667 -96.19018 3.53649 2.06666 -96.37695 603.24929
6065.0000 -99.26513 -96.13952 3.12562 2.07741 -96.24921 612.92531
6070.0000 -99.07500 -96.45001 2.62499 2.05667 -96.49575 582.32164
6075.0000 -99.22513 -96.08545 3.13968 2.03402 -96.76514 555.64238
6080.0000 -98.38649 -94.67732 3.70917 2.14051 -95.49891 648.24097
6085.0000 -98.70188 -95.59346 3.10843 2.12834 -95.64365 630.98386
6090.0000 -99.77427 -96.55743 3.21685 2.13816 -95.52682 630.61691
6095.0000 -99.87331 -97.16027 2.71305 2.04912 -96.58549 579.76546
6100.0000 -99.47045 -96.61260 2.85786 2.00486 -97.11179 523.57360
6105.0000 -99.70137 -95.85875 3.84262 2.10009 -95.97950 635.72733
6110.0000 -99.17688 -95.94609 3.23078 2.13499 -95.56457 653.60986
6115.0000 -97.14832 -93.83512 3.31320 2.22917 -94.44466 716.04087
6120.0000 -98.65670 -95.63918 3.01753 2.17981 -95.03163 705.13234
6125.0000 -99.44372 -95.90137 3.54234 2.07724 -96.25120 610.58132
6130.0000 -99.58235 -95.99019 3.59217 2.13027 -95.62060 683.40835
6135.0000 -98.65717 -95.34776 3.30941 2.11956 -95.74800 667.71486
6140.0000 -99.09170 -95.56809 3.52361 2.16176 -95.24621 689.88471
6145.0000 -99.64484 -95.61572 4.02912 2.13679 -95.54319 665.00433
6150.0000 -98.73501 -95.23254 3.50247 2.10525 -95.91820 644.74115
6155.0000 -98.96239 -95.84348 3.11891 2.16227 -95.24017 689.87475
6160.0000 -99.14408 -95.94486 3.19922 2.07547 -96.27225 646.79576
6165.0000 -99.81095 -96.71266 3.09829 2.01288 -97.01650 584.29349
6170.0000 -100.74126 -97.56663 3.17463 2.02868 -96.82856 560.96738
6175.0000 -98.69237 -95.84047 2.85190 2.01085 -97.04057 558.88528
6180.0000 -99.45192 -96.49655 2.95537 2.09996 -95.98101 612.78189
6185.0000 -99.25964 -96.02458 3.23506 2.06581 -96.38706 588.78519
6190.0000 -99.89017 -95.26078 4.62939 2.15424 -95.33562 658.79421
6195.0000 -99.49940 -96.55516 2.94425 2.11646 -95.78488 647.87869
6200.0000 -99.52978 -96.33725 3.19253 2.08871 -96.11478 602.54861
6205.0000 -99.41572 -96.60266 2.81306 2.03785 -96.71951 583.15883
6210.0000 -100.14605 -96.13794 4.00810 2.02799 -96.83677 549.90089
6215.0000 -100.10594 -97.13667 2.96927 2.04010 -96.69280 584.89758
6220.0000 -99.58734 -96.79519 2.79215 2.04419 -96.64411 591.56464
6225.0000 -100.13066 -96.39259 3.73806 2.02753 -96.84229 581.17308
6230.0000 -99.78601 -96.56881 3.21720 2.04420 -96.64408 592.37218
6235.0000 -99.10812 -96.06527 3.04285 2.08325 -96.17970 629.48312
6240.0000 -99.18198 -95.21547 3.96652 2.10493 -95.92194 666.29749
6245.0000 -98.91436 -95.18478 3.72958 2.15095 -95.37471 702.00970
6250.0000 -99.00314 -95.85111 3.15203 2.12856 -95.64095 670.89417
FREEZING PROCESS: loop number 26 T-loop= 595.00000000000000
main_MD> interactions number 26 at Temperature= 595.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.46245 -2.36794 -2.17548
force_rgl> df(natom) 1.32633 -0.54761 2.98910
6255.0000 -99.71838 -97.08454 2.63384 2.05956 -96.46139 578.85012
6260.0000 -99.54038 -96.87916 2.66121 2.01611 -96.97802 561.83335
6265.0000 -99.54495 -95.81649 3.72846 2.03507 -96.75258 569.89844
6270.0000 -98.81236 -95.87447 2.93790 2.10686 -95.89901 651.54340
6275.0000 -98.94987 -95.26787 3.68200 2.15212 -95.36089 674.61848
6280.0000 -99.68420 -96.89879 2.78541 2.09001 -96.09930 604.48140
6285.0000 -100.10374 -96.07673 4.02701 2.03002 -96.81267 557.82527
6290.0000 -98.86143 -95.76191 3.09952 2.13868 -95.52070 657.85947
6295.0000 -99.57611 -95.73492 3.84119 2.10968 -95.86551 630.27920
6300.0000 -100.00690 -97.35924 2.64766 2.04537 -96.63013 582.75627
6305.0000 -99.68075 -96.75586 2.92489 2.02019 -96.92951 582.65482
6310.0000 -100.15033 -96.94631 3.20402 2.03398 -96.76561 575.15332
6315.0000 -99.89571 -96.90169 2.99402 2.04154 -96.67566 583.50065
6320.0000 -99.74566 -96.59175 3.15391 2.01921 -96.94121 573.85753
6325.0000 -100.36515 -97.30706 3.05809 2.02261 -96.90077 603.02650
6330.0000 -100.26812 -97.52648 2.74164 1.98886 -97.30209 571.73628
6335.0000 -100.43496 -97.21168 3.22328 1.97755 -97.43657 569.76962
6340.0000 -100.41155 -96.75607 3.65549 2.00526 -97.10704 561.66893
6345.0000 -100.10234 -96.18044 3.92189 2.03636 -96.73731 606.96552
6350.0000 -99.29660 -96.99394 2.30265 2.03625 -96.73857 592.74864
6355.0000 -99.15416 -96.27443 2.87973 2.03103 -96.80060 580.36724
6360.0000 -99.75986 -96.36937 3.39049 2.04393 -96.64724 585.56242
6365.0000 -99.06693 -95.58707 3.47985 2.11118 -95.84770 646.98384
6370.0000 -99.33418 -96.23330 3.10089 2.12619 -95.66913 636.13794
6375.0000 -98.99981 -96.05189 2.94793 2.06679 -96.37544 596.96928
6380.0000 -98.54465 -95.10390 3.44075 2.11942 -95.74963 630.83313
6385.0000 -97.91654 -94.96806 2.94847 2.18678 -94.94870 658.08687
6390.0000 -98.77659 -95.61447 3.16212 2.19208 -94.88569 691.85300
6395.0000 -98.85489 -95.91815 2.93675 2.12897 -95.63614 646.16523
6400.0000 -99.89617 -96.74845 3.14772 2.09419 -96.04963 618.51531
6405.0000 -99.42715 -96.09362 3.33353 2.05540 -96.51089 592.64686
6410.0000 -99.99251 -97.05117 2.94134 2.06856 -96.35441 588.01487
6415.0000 -99.63794 -96.99155 2.64640 2.04990 -96.57626 583.44651
6420.0000 -99.94675 -96.60966 3.33709 2.02147 -96.91434 587.85592
6425.0000 -100.50101 -97.47361 3.02740 2.03119 -96.79868 570.40112
6430.0000 -99.25417 -96.61842 2.63575 2.02041 -96.92697 561.80408
6435.0000 -99.07898 -96.00925 3.06973 2.08586 -96.14876 592.30228
6440.0000 -98.57005 -95.66168 2.90837 2.12591 -95.67250 634.41712
6445.0000 -100.09559 -97.10288 2.99271 2.07327 -96.29839 609.07194
6450.0000 -100.09371 -97.53013 2.56359 1.99908 -97.18055 555.09578
6455.0000 -100.25005 -96.68279 3.56727 2.00546 -97.10468 551.44686
6460.0000 -100.44393 -97.13571 3.30821 2.06488 -96.39813 626.71455
6465.0000 -100.12467 -96.51118 3.61350 2.01134 -97.03479 555.29781
6470.0000 -99.53854 -96.51334 3.02520 2.03765 -96.72190 578.82767
6475.0000 -99.80830 -96.47408 3.33422 2.09217 -96.07366 618.55020
6480.0000 -99.62708 -96.21672 3.41036 2.05419 -96.52521 603.32812
6485.0000 -99.81950 -97.13966 2.67984 2.05807 -96.47910 599.37601
6490.0000 -100.32590 -97.75237 2.57353 2.02358 -96.88927 564.27055
6495.0000 -100.02279 -96.78673 3.23606 1.96799 -97.55016 554.48907
6500.0000 -99.86290 -96.35354 3.50936 2.06858 -96.35418 640.29516
FREEZING PROCESS: loop number 27 T-loop= 570.00000000000000
main_MD> interactions number 27 at Temperature= 570.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30650 0.35202 2.40807
force_rgl> df(natom) -1.29920 0.21427 0.29312
6505.0000 -100.56547 -97.16010 3.40538 2.02263 -96.90048 610.30733
6510.0000 -100.59509 -97.45313 3.14196 2.01718 -96.96530 615.94836
6515.0000 -100.73784 -97.54228 3.19556 1.95711 -97.67962 535.61095
6520.0000 -100.35007 -96.91631 3.43376 1.99599 -97.21728 582.20940
6525.0000 -98.79253 -96.12806 2.66446 2.01344 -97.00975 583.22645
6530.0000 -100.00645 -96.94370 3.06276 2.04472 -96.63783 586.97450
6535.0000 -99.95721 -96.95506 3.00215 1.99202 -97.26452 554.61797
6540.0000 -100.42233 -97.33687 3.08546 2.00264 -97.13817 554.22545
6545.0000 -100.10145 -96.39958 3.70186 1.99055 -97.28192 546.82526
6550.0000 -98.30623 -95.18283 3.12340 2.12480 -95.68568 646.06609
6555.0000 -99.51942 -96.12537 3.39405 2.09666 -96.02023 593.77855
6560.0000 -98.94832 -95.17333 3.77499 2.12854 -95.64126 652.49976
6565.0000 -99.00485 -95.92281 3.08203 2.10950 -95.86764 622.54094
6570.0000 -99.41603 -96.39445 3.02158 2.05844 -96.47468 578.07550
6575.0000 -99.92853 -97.16012 2.76841 2.04752 -96.60456 601.04563
6580.0000 -99.89082 -96.37364 3.51718 2.01513 -96.98967 575.62872
6585.0000 -100.24541 -97.77335 2.47206 1.96503 -97.58541 529.06319
6590.0000 -100.16436 -97.48347 2.68089 1.96311 -97.60821 536.57402
6595.0000 -99.39591 -96.73563 2.66028 2.02408 -96.88324 567.28894
6600.0000 -100.51965 -97.18952 3.33013 2.00103 -97.15740 557.66756
6605.0000 -99.54808 -96.54216 3.00592 2.00603 -97.09795 547.09923
6610.0000 -100.40200 -96.97237 3.42963 2.01933 -96.93979 573.46324
6615.0000 -100.40914 -97.38180 3.02735 1.99757 -97.19846 573.42767
6620.0000 -100.11104 -97.52658 2.58447 1.96505 -97.58518 541.05017
6625.0000 -100.24836 -97.14137 3.10699 1.96625 -97.57086 513.69742
6630.0000 -100.15656 -97.98693 2.16963 1.96764 -97.55431 526.24160
6635.0000 -100.41321 -97.77140 2.64181 1.93787 -97.90830 486.53186
6640.0000 -100.07303 -97.20687 2.86616 1.99460 -97.23383 534.10516
6645.0000 -99.71085 -96.41613 3.29472 2.03936 -96.70159 553.28669
6650.0000 -99.99450 -96.55601 3.43848 2.03946 -96.70038 569.19096
6655.0000 -98.99756 -96.64043 2.35712 2.06972 -96.34064 600.38387
6660.0000 -99.50412 -95.93197 3.57215 2.08935 -96.10720 639.54254
6665.0000 -98.88350 -95.26252 3.62098 2.11934 -95.75057 663.35773
6670.0000 -99.84228 -97.04725 2.79503 2.06543 -96.39167 593.92144
6675.0000 -100.00902 -97.22788 2.78114 2.02277 -96.89885 566.10223
6680.0000 -100.14639 -97.33380 2.81258 2.00298 -97.13413 558.89328
6685.0000 -99.74863 -96.79038 2.95825 2.01333 -97.01105 549.10313
6690.0000 -99.28786 -96.78771 2.50016 2.01814 -96.95391 523.35018
6695.0000 -99.56429 -97.05505 2.50925 2.05935 -96.46396 578.82784
6700.0000 -98.56101 -95.73092 2.83008 2.06744 -96.36768 582.87470
6705.0000 -98.99678 -95.93555 3.06123 2.06544 -96.39146 599.17569
6710.0000 -98.53332 -95.74001 2.79331 2.08160 -96.19931 622.07185
6715.0000 -99.88413 -96.97657 2.90756 2.07047 -96.33166 583.51324
6720.0000 -99.88134 -96.84285 3.03848 2.01839 -96.95093 531.57508
6725.0000 -99.84579 -97.09449 2.75130 2.00744 -97.08114 552.94455
6730.0000 -99.84248 -97.30731 2.53517 1.99434 -97.23689 516.46571
6735.0000 -99.86178 -96.66440 3.19739 1.97809 -97.43012 503.82474
6740.0000 -100.70832 -97.59845 3.10987 1.97541 -97.46200 533.02468
6745.0000 -100.56397 -97.63963 2.92434 1.97701 -97.44298 509.15534
6750.0000 -100.17324 -97.28418 2.88906 1.96052 -97.63897 484.43553
FREEZING PROCESS: loop number 28 T-loop= 545.00000000000000
main_MD> interactions number 28 at Temperature= 545.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57299 1.45275 -0.03195
force_rgl> df(natom) -2.99134 -3.25569 -1.35935
6755.0000 -100.01090 -96.21676 3.79414 2.03698 -96.72986 575.63528
6760.0000 -100.37829 -97.40826 2.97003 2.02769 -96.84042 585.38112
6765.0000 -101.20271 -97.67285 3.52986 1.94981 -97.76641 535.53514
6770.0000 -101.16035 -98.04501 3.11534 1.96219 -97.61919 525.11574
6775.0000 -99.96834 -97.12178 2.84657 1.95762 -97.67349 497.28967
6780.0000 -99.59203 -97.07832 2.51371 1.99457 -97.23421 555.98849
6785.0000 -100.33139 -96.50369 3.82770 1.99264 -97.25712 543.21469
6790.0000 -100.02846 -97.21520 2.81326 2.04004 -96.69355 583.99524
6795.0000 -100.12605 -97.63511 2.49094 1.99273 -97.25609 539.49908
6800.0000 -100.31745 -97.61609 2.70137 1.96537 -97.58139 509.20803
6805.0000 -100.56269 -97.54063 3.02205 1.95795 -97.66960 524.46172
6810.0000 -100.12669 -96.90329 3.22339 1.98533 -97.34398 550.72373
6815.0000 -98.90153 -96.44383 2.45770 2.03325 -96.77425 578.79375
6820.0000 -100.39588 -96.99246 3.40342 2.06547 -96.39120 592.07245
6825.0000 -100.06342 -97.21328 2.85014 2.03932 -96.70206 582.22586
6830.0000 -99.77715 -96.90074 2.87641 1.99024 -97.28562 540.72059
6835.0000 -99.54677 -96.49622 3.05055 2.04555 -96.62804 560.95883
6840.0000 -99.87066 -97.01436 2.85630 2.02872 -96.82816 538.44274
6845.0000 -100.04689 -97.78287 2.26402 2.01028 -97.04737 549.26454
6850.0000 -100.15783 -97.06929 3.08853 1.98850 -97.30638 515.05822
6855.0000 -100.36979 -97.60905 2.76074 1.97090 -97.51557 519.52581
6860.0000 -99.53107 -96.77260 2.75848 1.97849 -97.42535 515.57450
6865.0000 -100.21492 -97.39167 2.82325 1.97738 -97.43856 496.29165
6870.0000 -100.10068 -97.89681 2.20386 1.94257 -97.85245 496.76420
6875.0000 -100.94802 -98.32255 2.62547 1.93084 -97.99196 497.09695
6880.0000 -100.68616 -98.63979 2.04637 1.86858 -98.73222 444.93442
6885.0000 -100.62289 -97.81052 2.81237 1.94119 -97.86883 498.61248
6890.0000 -100.34686 -97.57149 2.77538 1.93344 -97.96096 465.95259
6895.0000 -99.95076 -97.46690 2.48387 1.96276 -97.61238 525.32474
6900.0000 -99.96007 -97.56576 2.39431 1.94193 -97.86001 493.86373
6905.0000 -100.51134 -97.85407 2.65727 1.99794 -97.19404 572.79403
6910.0000 -100.89915 -97.64224 3.25692 1.97489 -97.46818 557.54254
6915.0000 -99.82516 -96.26396 3.56120 2.01246 -97.02144 556.31889
6920.0000 -99.28435 -96.41550 2.86885 2.06564 -96.38916 623.62155
6925.0000 -100.35458 -96.85816 3.49642 2.05589 -96.50507 603.99592
6930.0000 -100.77714 -97.93556 2.84158 1.99593 -97.21803 572.75931
6935.0000 -100.69471 -98.02776 2.66695 1.92575 -98.05242 516.96001
6940.0000 -100.01692 -97.72952 2.28740 1.96738 -97.55748 556.65045
6945.0000 -100.59658 -97.68382 2.91275 1.98718 -97.32203 570.85787
6950.0000 -101.19637 -97.89317 3.30320 1.97549 -97.46104 564.88437
6955.0000 -100.56033 -97.87363 2.68671 1.98041 -97.40248 539.41842
6960.0000 -100.49449 -97.45138 3.04310 1.94835 -97.78372 520.83080
6965.0000 -100.18587 -97.04046 3.14541 2.01750 -96.96146 582.67905
6970.0000 -99.75647 -95.83320 3.92327 2.03581 -96.74380 606.33090
6975.0000 -99.86923 -97.12199 2.74724 2.03323 -96.77445 606.29242
6980.0000 -100.44327 -97.67836 2.76491 2.00381 -97.12429 572.15220
6985.0000 -100.21697 -97.71214 2.50483 1.97812 -97.42972 522.46143
6990.0000 -100.60053 -97.73488 2.86565 1.95253 -97.73403 503.75043
6995.0000 -99.93157 -97.19084 2.74073 2.00801 -97.07435 555.44581
7000.0000 -100.23157 -97.51391 2.71766 1.97321 -97.48815 531.68242
FREEZING PROCESS: loop number 29 T-loop= 520.00000000000000
main_MD> interactions number 29 at Temperature= 520.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92831 -2.09421 0.32657
force_rgl> df(natom) -1.31309 5.02676 -1.68506
7005.0000 -100.25753 -97.50392 2.75361 1.96121 -97.63082 492.37567
7010.0000 -100.35796 -97.92791 2.43004 1.97101 -97.51435 514.33765
7015.0000 -100.89710 -97.54687 3.35024 1.94431 -97.83175 512.90829
7020.0000 -100.82404 -97.76220 3.06183 1.96282 -97.61163 530.91922
7025.0000 -100.25480 -97.66465 2.59015 1.94823 -97.78515 496.71428
7030.0000 -100.14287 -97.19832 2.94455 1.96968 -97.53013 508.99672
7035.0000 -100.53466 -98.00203 2.53263 1.92404 -98.07279 436.74542
7040.0000 -99.71283 -97.09342 2.61941 1.99531 -97.22542 500.39447
7045.0000 -100.91179 -97.42587 3.48592 1.97713 -97.44148 524.61316
7050.0000 -99.65740 -97.06132 2.59608 1.98237 -97.37918 538.07996
7055.0000 -100.38987 -97.90449 2.48538 1.98217 -97.38160 527.63058
7060.0000 -100.26782 -97.03569 3.23213 1.94800 -97.78790 495.85712
7065.0000 -100.55074 -98.08677 2.46397 1.97361 -97.48335 535.20458
7070.0000 -100.47282 -97.39896 3.07386 1.93675 -97.92163 490.79870
7075.0000 -99.62714 -96.54979 3.07735 1.97792 -97.43211 564.78227
7080.0000 -99.94776 -96.67068 3.27708 2.06634 -96.38081 599.16022
7085.0000 -99.64555 -97.14015 2.50540 1.99773 -97.19655 520.85750
7090.0000 -99.85013 -97.18582 2.66431 1.99975 -97.17255 535.20999
7095.0000 -100.30190 -97.22520 3.07670 1.99276 -97.25563 532.88866
7100.0000 -100.23950 -97.66674 2.57276 1.98242 -97.37864 551.03312
7105.0000 -99.75048 -97.25844 2.49204 1.99530 -97.22550 551.46484
7110.0000 -100.41756 -97.40856 3.00900 2.01257 -97.02014 556.00557
7115.0000 -100.73660 -97.69846 3.03814 1.94074 -97.87426 493.36440
7120.0000 -100.36144 -97.37176 2.98969 2.00882 -97.06478 559.59395
7125.0000 -99.95193 -96.54371 3.40822 2.01420 -97.00079 548.75494
7130.0000 -100.20207 -97.54576 2.65630 1.99441 -97.23610 547.99313
7135.0000 -99.68284 -97.04055 2.64229 1.99940 -97.17668 508.17519
7140.0000 -99.81554 -96.52861 3.28693 2.02523 -96.86960 535.08708
7145.0000 -99.55721 -96.17057 3.38664 2.10002 -95.98029 624.07043
7150.0000 -100.23600 -97.51820 2.71780 2.01689 -96.96871 543.66453
7155.0000 -100.32521 -97.51357 2.81163 1.95704 -97.68040 483.04152
7160.0000 -100.69122 -97.93151 2.75971 1.96735 -97.55778 522.18657
7165.0000 -101.07424 -98.36234 2.71190 1.94462 -97.82805 491.87545
7170.0000 -100.01261 -97.29663 2.71599 1.95965 -97.64934 535.10262
7175.0000 -100.72878 -97.53905 3.18973 1.99683 -97.20724 536.13708
7180.0000 -99.88569 -96.85733 3.02836 1.97913 -97.41774 523.96806
7185.0000 -100.30693 -97.57612 2.73081 2.02911 -96.82347 599.18349
7190.0000 -100.78751 -98.03750 2.75001 1.94579 -97.81413 508.74905
7195.0000 -99.36642 -96.63791 2.72851 2.00636 -97.09403 567.65402
7200.0000 -100.47671 -97.03242 3.44428 2.02715 -96.84678 558.12999
7205.0000 -99.98897 -96.88384 3.10512 2.00240 -97.14112 552.38003
7210.0000 -100.59488 -98.09925 2.49564 1.97176 -97.50540 509.87128
7215.0000 -101.19213 -99.14273 2.04940 1.89383 -98.43201 449.80449
7220.0000 -100.68148 -97.94693 2.73455 1.89088 -98.46707 456.65670
7225.0000 -100.89047 -98.15120 2.73927 1.91693 -98.15727 491.66081
7230.0000 -100.39161 -98.17490 2.21671 1.92421 -98.07080 481.41809
7235.0000 -100.25326 -97.69939 2.55387 1.94124 -97.86830 502.89223
7240.0000 -100.07611 -97.10512 2.97100 1.97828 -97.42787 542.24634
7245.0000 -100.64198 -98.08137 2.56061 1.94156 -97.86449 506.48451
7250.0000 -101.30908 -98.78947 2.51961 1.86755 -98.74449 431.13715
FREEZING PROCESS: loop number 30 T-loop= 495.00000000000000
main_MD> interactions number 30 at Temperature= 495.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91527 -1.22325 -4.70780
force_rgl> df(natom) -0.89774 -0.59578 1.74180
7255.0000 -101.07578 -98.62348 2.45230 1.87834 -98.61620 469.99960
7260.0000 -100.26905 -98.02085 2.24820 1.91838 -98.14009 498.04114
7265.0000 -100.44861 -98.03057 2.41804 1.94467 -97.82745 507.41781
7270.0000 -100.04589 -97.34604 2.69985 1.95938 -97.65261 524.53396
7275.0000 -100.95952 -98.70604 2.25348 1.91933 -98.12884 499.02300
7280.0000 -100.94830 -98.65955 2.28875 1.87347 -98.67410 439.87479
7285.0000 -100.04841 -97.23669 2.81172 1.95170 -97.74392 521.34284
7290.0000 -100.62500 -97.83012 2.79488 1.95334 -97.72442 508.37785
7295.0000 -100.61644 -98.03704 2.57939 1.93416 -97.95242 483.27601
7300.0000 -99.72695 -97.38433 2.34262 1.94663 -97.80421 497.53299
7305.0000 -100.84825 -98.26767 2.58058 1.94432 -97.83168 500.66023
7310.0000 -100.37644 -96.96864 3.40781 1.93140 -97.98527 503.47562
7315.0000 -99.93564 -97.21066 2.72498 1.99453 -97.23459 545.12379
7320.0000 -100.53115 -97.90150 2.62965 1.99049 -97.28269 542.03433
7325.0000 -100.74578 -98.37156 2.37422 1.92427 -98.06999 489.85026
7330.0000 -100.14835 -97.44659 2.70175 1.93492 -97.94347 506.89383
7335.0000 -100.58475 -98.19713 2.38762 1.92467 -98.06534 495.59181
7340.0000 -100.16041 -97.58091 2.57950 1.91660 -98.16129 484.50669
7345.0000 -100.21631 -97.34004 2.87627 1.96277 -97.61225 512.19569
7350.0000 -100.12941 -97.88832 2.24109 1.97977 -97.41008 524.54782
7355.0000 -100.72067 -98.27384 2.44683 1.92495 -98.06193 480.97358
7360.0000 -100.66372 -98.30438 2.35934 1.90945 -98.24626 442.41174
7365.0000 -100.99908 -98.26129 2.73779 1.94547 -97.81796 506.29439
7370.0000 -100.53982 -97.81828 2.72154 1.91655 -98.16179 478.50026
7375.0000 -100.57710 -97.97809 2.59901 1.95826 -97.66587 511.54939
7380.0000 -100.06305 -97.45079 2.61226 1.94244 -97.85405 482.21349
7385.0000 -101.00179 -97.79190 3.20989 1.98945 -97.29504 534.61984
7390.0000 -100.69503 -97.92409 2.77094 1.95289 -97.72972 510.48128
7395.0000 -99.82479 -97.50401 2.32077 1.93454 -97.94792 489.83892
7400.0000 -99.82665 -96.83898 2.98767 1.98448 -97.35418 542.62559
7405.0000 -100.26494 -97.40298 2.86197 2.00556 -97.10352 536.90933
7410.0000 -100.74796 -97.67002 3.07794 2.00954 -97.05619 576.11327
7415.0000 -100.45401 -98.43751 2.01650 1.91307 -98.20318 489.03201
7420.0000 -100.59545 -97.71649 2.87895 1.92488 -98.06280 490.72431
7425.0000 -100.03333 -97.38548 2.64785 1.93937 -97.89045 524.07273
7430.0000 -100.81210 -97.82700 2.98510 1.96331 -97.60580 543.52517
7435.0000 -100.27780 -97.49728 2.78052 1.93835 -97.90259 527.31170
7440.0000 -100.40194 -96.91304 3.48889 1.99643 -97.21209 550.77324
7445.0000 -100.89917 -97.71681 3.18236 1.99929 -97.17805 559.02385
7450.0000 -100.71801 -97.77148 2.94654 1.92305 -98.08456 500.09808
7455.0000 -100.50350 -98.20137 2.30212 1.95086 -97.75383 497.60291
7460.0000 -100.15306 -97.50684 2.64622 1.93946 -97.88948 500.14012
7465.0000 -99.95683 -96.85238 3.10444 2.00601 -97.09814 520.51092
7470.0000 -100.16640 -97.48947 2.67693 1.99037 -97.28404 537.11438
7475.0000 -100.34651 -98.29702 2.04950 1.93400 -97.95440 506.16418
7480.0000 -101.43083 -98.48772 2.94311 1.91070 -98.23139 485.02130
7485.0000 -100.31909 -97.98419 2.33490 1.90615 -98.28551 464.34065
7490.0000 -99.78991 -97.12398 2.66593 1.95712 -97.67950 487.56600
7495.0000 -100.38011 -97.85756 2.52255 1.97782 -97.43330 500.85848
7500.0000 -100.44795 -97.62158 2.82637 1.97445 -97.47338 510.33307
FREEZING PROCESS: loop number 31 T-loop= 470.00000000000000
main_MD> interactions number 31 at Temperature= 470.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.40860 -2.77655 0.31306
force_rgl> df(natom) 0.48871 -2.36423 1.40106
7505.0000 -100.11881 -97.80731 2.31150 1.96219 -97.61912 487.16308
7510.0000 -100.71460 -97.98970 2.72490 1.91847 -98.13895 459.86097
7515.0000 -99.78997 -97.66471 2.12526 1.95154 -97.74579 501.32279
7520.0000 -100.71769 -98.28350 2.43419 1.91492 -98.18124 468.61254
7525.0000 -100.27100 -97.81483 2.45616 1.92045 -98.11545 468.99279
7530.0000 -100.33807 -97.83061 2.50746 1.94468 -97.82732 505.05767
7535.0000 -101.29002 -98.90238 2.38764 1.90453 -98.30474 485.04448
7540.0000 -101.30393 -99.28031 2.02362 1.82805 -99.21412 389.46869
7545.0000 -101.19520 -98.68077 2.51444 1.88650 -98.51910 469.69731
7550.0000 -101.34174 -99.39159 1.95016 1.86604 -98.76237 436.60497
7555.0000 -101.42711 -99.12262 2.30449 1.82028 -99.30645 401.38494
7560.0000 -101.11292 -98.33530 2.77762 1.87318 -98.67746 456.79408
7565.0000 -100.77446 -97.82664 2.94782 1.92093 -98.10973 502.39971
7570.0000 -100.39928 -98.36678 2.03251 1.91023 -98.23700 478.57104
7575.0000 -100.79461 -98.34809 2.44652 1.88074 -98.58761 449.99166
7580.0000 -101.77091 -99.40132 2.36959 1.84050 -99.06614 421.44163
7585.0000 -101.38994 -99.38965 2.00029 1.80918 -99.43845 392.48014
7590.0000 -100.57773 -98.30374 2.27400 1.84250 -99.04235 429.06071
7595.0000 -100.76385 -98.10245 2.66140 1.90657 -98.28045 486.14997
7600.0000 -101.64940 -98.77877 2.87063 1.89630 -98.40259 490.21886
7605.0000 -101.37560 -99.06612 2.30949 1.84170 -99.05187 443.21179
7610.0000 -101.47020 -99.11668 2.35352 1.85168 -98.93315 432.40978
7615.0000 -100.64247 -97.82240 2.82008 1.88664 -98.51742 465.43317
7620.0000 -100.80554 -98.18623 2.61931 1.92686 -98.03927 503.11614
7625.0000 -101.13489 -99.15108 1.98381 1.87470 -98.65943 449.08290
7630.0000 -100.94785 -98.40825 2.53960 1.85906 -98.84535 440.74425
7635.0000 -101.39432 -98.62774 2.76658 1.87586 -98.64565 468.60828
7640.0000 -101.58831 -98.78504 2.80327 1.86280 -98.80092 451.86775
7645.0000 -100.81232 -98.32898 2.48334 1.88233 -98.56877 465.33088
7650.0000 -101.23455 -98.88636 2.34819 1.87992 -98.59742 478.86645
7655.0000 -101.18194 -98.93974 2.24220 1.84115 -99.05832 423.25724
7660.0000 -101.53692 -98.76844 2.76848 1.87520 -98.65344 450.31259
7665.0000 -101.25524 -98.04381 3.21143 1.89499 -98.41818 473.21922
7670.0000 -101.10482 -98.43266 2.67216 1.88953 -98.48310 465.31289
7675.0000 -101.14933 -98.28985 2.85947 1.89420 -98.42754 483.90186
7680.0000 -101.27585 -99.04954 2.22631 1.88057 -98.58968 465.44573
7685.0000 -101.37861 -99.19682 2.18179 1.86218 -98.80829 423.80885
7690.0000 -101.02729 -98.19613 2.83116 1.87705 -98.63152 452.57529
7695.0000 -100.59517 -98.19898 2.39619 1.91747 -98.15086 493.84589
7700.0000 -100.86075 -98.51003 2.35073 1.89286 -98.44355 464.18933
7705.0000 -101.05787 -98.61118 2.44669 1.88188 -98.57407 440.49746
7710.0000 -101.40049 -98.65994 2.74056 1.90741 -98.27049 479.36404
7715.0000 -101.16221 -98.77702 2.38519 1.84806 -98.97622 420.28036
7720.0000 -101.16900 -98.77990 2.38911 1.85462 -98.89820 433.86355
7725.0000 -101.19285 -98.77769 2.41515 1.88151 -98.57845 462.97256
7730.0000 -101.18028 -98.49889 2.68139 1.87669 -98.63575 459.29501
7735.0000 -100.59016 -98.11469 2.47547 1.88269 -98.56446 455.92703
7740.0000 -100.65715 -98.14327 2.51388 1.90867 -98.25552 479.69925
7745.0000 -100.83133 -98.25239 2.57894 1.89809 -98.38128 455.81144
7750.0000 -100.92928 -98.38629 2.54299 1.88675 -98.51612 453.71636
FREEZING PROCESS: loop number 32 T-loop= 445.00000000000000
main_MD> interactions number 32 at Temperature= 445.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62764 0.47963 -0.81210
force_rgl> df(natom) -0.87547 -0.52413 0.57830
7755.0000 -101.18672 -98.97445 2.21227 1.85378 -98.90818 425.83272
7760.0000 -101.18578 -98.98411 2.20166 1.86557 -98.76802 437.44692
7765.0000 -101.01233 -98.34728 2.66505 1.87547 -98.65027 445.34755
7770.0000 -100.78042 -98.28784 2.49258 1.88281 -98.56295 459.94000
7775.0000 -100.69154 -98.33667 2.35486 1.89557 -98.41125 448.11476
7780.0000 -100.88386 -98.61051 2.27335 1.87738 -98.62759 433.99357
7785.0000 -101.17474 -98.69175 2.48300 1.86375 -98.78967 442.12083
7790.0000 -100.97004 -98.55522 2.41482 1.86542 -98.76977 435.98494
7795.0000 -100.51317 -97.65158 2.86159 1.90121 -98.34420 477.77000
7800.0000 -100.39911 -97.67348 2.72564 1.98527 -97.34476 559.02042
7805.0000 -100.76296 -98.29832 2.46464 1.95515 -97.70284 517.14245
7810.0000 -101.39183 -99.17499 2.21685 1.87933 -98.60434 439.24432
7815.0000 -101.26513 -99.35518 1.90996 1.85086 -98.94296 424.06020
7820.0000 -101.46109 -99.12307 2.33803 1.82625 -99.23549 389.93636
7825.0000 -100.87611 -98.46267 2.41344 1.88114 -98.58292 442.37039
7830.0000 -100.64738 -97.77018 2.87720 1.92863 -98.01826 482.50099
7835.0000 -100.26813 -97.57668 2.69146 1.96142 -97.62837 481.59231
7840.0000 -101.10193 -98.12643 2.97550 1.97154 -97.50798 502.05903
7845.0000 -100.44893 -97.85342 2.59550 1.93431 -97.95070 471.60683
7850.0000 -100.81690 -98.50010 2.31680 1.90837 -98.25907 453.22547
7855.0000 -100.70640 -98.15123 2.55517 1.89493 -98.41895 459.72902
7860.0000 -100.94547 -98.37352 2.57195 1.88711 -98.51185 450.95335
7865.0000 -100.47654 -97.90461 2.57194 1.91228 -98.21263 477.91709
7870.0000 -101.43719 -98.72290 2.71429 1.91085 -98.22959 500.75681
7875.0000 -101.13108 -98.77021 2.36087 1.84685 -98.99062 433.85437
7880.0000 -101.59631 -99.14476 2.45155 1.88508 -98.53602 471.71832
7885.0000 -101.67019 -99.65683 2.01336 1.80440 -99.49532 398.57603
7890.0000 -100.82239 -98.67698 2.14541 1.86533 -98.77083 436.01792
7895.0000 -101.60979 -98.84478 2.76501 1.85129 -98.93778 435.10670
7900.0000 -100.83878 -98.52343 2.31535 1.87159 -98.69644 458.30439
7905.0000 -101.18955 -98.93422 2.25533 1.88373 -98.55207 463.40766
7910.0000 -101.39966 -99.13239 2.26727 1.82035 -99.30567 415.00643
7915.0000 -101.17536 -98.70002 2.47534 1.86043 -98.82913 449.69163
7920.0000 -101.58892 -99.07036 2.51857 1.84702 -98.98857 437.04852
7925.0000 -101.47612 -99.32680 2.14932 1.83823 -99.09302 430.72166
7930.0000 -101.22202 -99.25309 1.96893 1.82481 -99.25263 418.54733
7935.0000 -101.37284 -99.03592 2.33692 1.82860 -99.20761 422.22305
7940.0000 -101.06678 -98.87753 2.18925 1.84114 -99.05850 418.21017
7945.0000 -101.33385 -99.10842 2.22543 1.84846 -98.97144 435.89769
7950.0000 -101.27466 -99.27067 2.00399 1.83226 -99.16400 415.96438
7955.0000 -101.48301 -99.13092 2.35209 1.82051 -99.30375 406.37166
7960.0000 -101.46800 -99.06423 2.40378 1.85076 -98.94407 458.60102
7965.0000 -101.49816 -98.81155 2.68660 1.86882 -98.72937 470.87310
7970.0000 -101.47308 -99.71262 1.76046 1.83480 -99.13383 420.44536
7975.0000 -101.56341 -99.59086 1.97255 1.78737 -99.69778 389.27872
7980.0000 -101.42086 -98.99173 2.42913 1.83136 -99.17478 420.17466
7985.0000 -101.58957 -98.77835 2.81122 1.86209 -98.80937 449.44609
7990.0000 -100.37136 -98.46635 1.90501 1.86427 -98.78340 429.82559
7995.0000 -101.43536 -98.84991 2.58545 1.88487 -98.53855 468.49024
8000.0000 -100.56166 -98.29998 2.26168 1.87163 -98.69593 449.23306
FREEZING PROCESS: loop number 33 T-loop= 420.00000000000000
main_MD> interactions number 33 at Temperature= 420.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87988 2.54241 1.18400
force_rgl> df(natom) 2.03166 0.15067 -0.58892
8005.0000 -100.78429 -98.62200 2.16230 1.86461 -98.77937 431.61496
8010.0000 -101.62116 -99.17318 2.44798 1.86043 -98.82915 429.26388
8015.0000 -100.99885 -99.11334 1.88550 1.82178 -99.28865 408.81989
8020.0000 -101.61736 -99.25263 2.36473 1.83529 -99.12804 423.08113
8025.0000 -102.06584 -99.50077 2.56507 1.83915 -99.08217 424.27386
8030.0000 -101.24960 -99.25208 1.99752 1.80179 -99.52640 390.52343
8035.0000 -101.96533 -99.91138 2.05394 1.78550 -99.72004 383.23755
8040.0000 -101.69427 -98.91281 2.78146 1.82307 -99.27328 410.92710
8045.0000 -101.51147 -98.86457 2.64689 1.84454 -99.01803 427.81604
8050.0000 -101.42183 -99.32965 2.09218 1.81473 -99.37252 412.72901
8055.0000 -101.46596 -98.59313 2.87283 1.83786 -99.09750 440.45733
8060.0000 -101.22787 -99.21008 2.01778 1.84762 -98.98147 440.02943
8065.0000 -101.70090 -99.86673 1.83418 1.82450 -99.25632 422.50834
8070.0000 -101.73830 -100.11225 1.62606 1.76240 -99.99465 350.62573
8075.0000 -101.30144 -99.26772 2.03371 1.79542 -99.60213 377.11420
8080.0000 -101.60791 -99.75258 1.85534 1.80831 -99.44886 379.99231
8085.0000 -101.62374 -99.95717 1.66657 1.78823 -99.68755 382.25670
8090.0000 -102.09743 -100.10568 1.99175 1.75609 -100.06969 349.82897
8095.0000 -100.69043 -98.24342 2.44702 1.82055 -99.30325 420.45219
8100.0000 -101.49657 -98.88585 2.61071 1.86097 -98.82275 443.74195
8105.0000 -101.50737 -99.56728 1.94009 1.80623 -99.47356 392.16881
8110.0000 -101.54122 -99.36883 2.17240 1.80315 -99.51018 405.65106
8115.0000 -101.13655 -98.51150 2.62506 1.83655 -99.11300 437.84408
8120.0000 -101.59897 -99.61620 1.98276 1.82980 -99.19335 417.96110
8125.0000 -100.96126 -98.84377 2.11749 1.84866 -98.96911 410.51318
8130.0000 -101.02599 -99.09333 1.93266 1.84027 -99.06881 427.22355
8135.0000 -101.23648 -99.19497 2.04151 1.84225 -99.04523 422.16752
8140.0000 -101.29316 -98.72619 2.56696 1.85144 -98.93600 455.39652
8145.0000 -100.64829 -98.10353 2.54477 1.91033 -98.23575 497.78551
8150.0000 -101.52508 -99.27435 2.25073 1.83982 -99.07413 431.89562
8155.0000 -101.19065 -98.81666 2.37399 1.82671 -99.23001 413.50696
8160.0000 -101.31364 -99.13643 2.17721 1.81824 -99.33081 407.38011
8165.0000 -100.74238 -98.77504 1.96734 1.84242 -99.04327 425.81552
8170.0000 -101.10349 -99.10173 2.00176 1.81917 -99.31965 398.85801
8175.0000 -101.58916 -99.35733 2.23182 1.83898 -99.08420 434.00416
8180.0000 -100.85963 -98.89681 1.96281 1.82512 -99.24896 404.36602
8185.0000 -101.05261 -99.26389 1.78872 1.82103 -99.29753 386.79282
8190.0000 -100.57818 -98.40717 2.17101 1.84883 -98.96702 403.40067
8195.0000 -101.05323 -98.91833 2.13490 1.87634 -98.63991 442.11727
8200.0000 -101.32978 -99.79040 1.53938 1.83345 -99.14986 408.69133
8205.0000 -101.57301 -99.55920 2.01380 1.80513 -99.48668 375.63889
8210.0000 -101.61147 -99.54789 2.06358 1.81371 -99.38464 386.91662
8215.0000 -101.74264 -99.84324 1.89940 1.80236 -99.51963 368.24085
8220.0000 -101.84217 -99.45076 2.39141 1.80582 -99.47848 381.33327
8225.0000 -101.25124 -99.15018 2.10106 1.82357 -99.26733 404.80047
8230.0000 -101.34598 -99.34107 2.00491 1.83073 -99.18222 405.40462
8235.0000 -101.11872 -98.63073 2.48799 1.87021 -98.71284 440.46349
8240.0000 -101.06645 -99.10427 1.96218 1.85055 -98.94660 423.22789
8245.0000 -100.87788 -98.72158 2.15629 1.83911 -99.08262 410.62456
8250.0000 -101.01849 -98.52311 2.49538 1.88430 -98.54533 448.91455
FREEZING PROCESS: loop number 34 T-loop= 395.00000000000000
main_MD> interactions number 34 at Temperature= 395.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.08973 4.70587 -0.47268
force_rgl> df(natom) 0.32582 -1.24834 0.19863
8255.0000 -101.68815 -99.56847 2.11968 1.83810 -99.09460 406.13645
8260.0000 -101.22829 -98.85255 2.37573 1.81553 -99.36301 386.02416
8265.0000 -101.34577 -99.60184 1.74393 1.82678 -99.22926 391.12273
8270.0000 -101.24938 -99.33486 1.91452 1.79098 -99.65490 367.53750
8275.0000 -101.07402 -99.08911 1.98491 1.82611 -99.23718 390.43093
8280.0000 -101.18274 -99.39332 1.78942 1.82163 -99.29039 388.14235
8285.0000 -101.59373 -99.65871 1.93502 1.77754 -99.81467 352.91761
8290.0000 -101.60357 -99.36372 2.23985 1.78534 -99.72190 356.12592
8295.0000 -101.45653 -99.51170 1.94483 1.81905 -99.32118 394.32626
8300.0000 -101.89420 -100.01944 1.87476 1.78562 -99.71867 366.70345
8305.0000 -101.48354 -99.15209 2.33145 1.80182 -99.52594 378.39795
8310.0000 -101.87077 -99.88805 1.98272 1.80786 -99.45420 393.05194
8315.0000 -101.77609 -99.72244 2.05365 1.77548 -99.83914 356.00125
8320.0000 -101.41837 -99.55306 1.86531 1.78239 -99.75700 362.52350
8325.0000 -101.19985 -99.23998 1.95987 1.80532 -99.48433 384.75059
8330.0000 -101.61871 -99.36974 2.24896 1.84914 -98.96338 432.00463
8335.0000 -102.00751 -99.65098 2.35653 1.79701 -99.58318 402.17651
8340.0000 -102.03246 -99.93692 2.09554 1.77281 -99.87091 371.05650
8345.0000 -101.75977 -99.39860 2.36117 1.77062 -99.89702 374.86877
8350.0000 -100.92324 -99.33286 1.59037 1.80112 -99.53433 403.97384
8355.0000 -101.15538 -98.78437 2.37101 1.83229 -99.16367 412.33970
8360.0000 -101.63464 -99.09356 2.54108 1.85497 -98.89404 445.62961
8365.0000 -101.31239 -99.02518 2.28722 1.83087 -99.18053 404.94180
8370.0000 -101.44932 -99.20969 2.23963 1.82371 -99.26571 398.89485
8375.0000 -101.61558 -99.71708 1.89850 1.79960 -99.55245 377.99625
8380.0000 -101.41798 -99.89890 1.51908 1.79234 -99.63871 355.23811
8385.0000 -101.16832 -98.83990 2.32843 1.82937 -99.19845 384.76548
8390.0000 -101.02550 -98.71977 2.30573 1.86204 -98.80993 431.84660
8395.0000 -101.72084 -99.72283 1.99801 1.83953 -99.07765 403.23844
8400.0000 -100.93980 -99.26701 1.67279 1.81444 -99.37596 374.52976
8405.0000 -100.90047 -98.50944 2.39103 1.86215 -98.80871 419.88208
8410.0000 -101.44352 -98.97158 2.47194 1.84134 -99.05609 408.56551
8415.0000 -101.38748 -99.44431 1.94318 1.82883 -99.20481 395.83440
8420.0000 -101.52702 -99.16882 2.35820 1.84886 -98.96672 408.27281
8425.0000 -101.43163 -98.97428 2.45735 1.85506 -98.89293 426.01539
8430.0000 -101.27247 -98.52003 2.75245 1.85479 -98.89613 423.06724
8435.0000 -100.77598 -98.90036 1.87562 1.86482 -98.77695 436.27944
8440.0000 -101.29119 -98.99084 2.30035 1.84799 -98.97707 421.69496
8445.0000 -101.31158 -99.27440 2.03717 1.80965 -99.43286 374.67001
8450.0000 -101.50327 -99.85529 1.64798 1.79979 -99.55012 374.16679
8455.0000 -101.62953 -99.79525 1.83429 1.77947 -99.79171 361.13761
8460.0000 -101.54524 -99.65159 1.89365 1.78509 -99.72494 367.77425
8465.0000 -101.29800 -99.19209 2.10591 1.81454 -99.37477 391.90556
8470.0000 -101.26614 -99.12466 2.14148 1.83237 -99.16279 405.15115
8475.0000 -101.42942 -99.22714 2.20227 1.85220 -98.92700 447.00394
8480.0000 -101.54230 -99.41910 2.12321 1.81303 -99.39269 394.85175
8485.0000 -101.20569 -99.19356 2.01213 1.80450 -99.49409 369.54961
8490.0000 -100.75225 -98.54345 2.20881 1.86406 -98.78589 444.13384
8495.0000 -101.27948 -99.41568 1.86380 1.83775 -99.09880 397.81939
8500.0000 -101.12515 -99.36221 1.76294 1.81257 -99.39818 387.02604
FREEZING PROCESS: loop number 35 T-loop= 370.00000000000000
main_MD> interactions number 35 at Temperature= 370.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52469 0.34454 -2.20456
force_rgl> df(natom) 0.40057 1.69419 1.48613
8505.0000 -101.34432 -99.84690 1.49742 1.79056 -99.65991 361.54625
8510.0000 -101.57976 -99.42679 2.15297 1.80733 -99.46053 371.80998
8515.0000 -101.33559 -99.02718 2.30841 1.82293 -99.27503 398.45952
8520.0000 -101.35366 -99.32113 2.03253 1.82608 -99.23749 406.79569
8525.0000 -101.70302 -99.07012 2.63291 1.84539 -99.00798 425.12061
8530.0000 -101.94418 -99.54634 2.39785 1.82216 -99.28421 409.94997
8535.0000 -101.99047 -100.25820 1.73227 1.76674 -99.94316 356.08241
8540.0000 -101.93196 -100.14597 1.78599 1.75945 -100.02980 337.58204
8545.0000 -101.46410 -99.33071 2.13339 1.77827 -99.80607 352.98060
8550.0000 -101.47280 -99.07141 2.40140 1.81222 -99.40229 372.30761
8555.0000 -101.22904 -99.29410 1.93494 1.84924 -98.96217 410.14067
8560.0000 -101.53513 -99.37190 2.16323 1.79403 -99.61864 376.78957
8565.0000 -101.76399 -99.70513 2.05886 1.81713 -99.34392 413.89706
8570.0000 -101.60397 -99.12629 2.47768 1.79950 -99.55359 395.84810
8575.0000 -101.22155 -99.00441 2.21714 1.80644 -99.47104 414.15980
8580.0000 -101.79454 -99.87597 1.91856 1.80876 -99.44351 416.85268
8585.0000 -102.30441 -100.02785 2.27656 1.75998 -100.02351 363.91322
8590.0000 -102.03914 -99.89641 2.14272 1.75753 -100.05264 355.62506
8595.0000 -102.03556 -99.73099 2.30456 1.77283 -99.87072 374.10372
8600.0000 -101.41017 -99.15761 2.25255 1.81708 -99.34449 400.97864
8605.0000 -101.23190 -99.38047 1.85143 1.81976 -99.31270 407.60482
8610.0000 -101.37892 -99.18295 2.19597 1.82959 -99.19582 411.52287
8615.0000 -101.59268 -99.72401 1.86867 1.80186 -99.52547 378.32802
8620.0000 -101.75061 -99.62083 2.12978 1.79889 -99.56088 373.48131
8625.0000 -101.58178 -99.52629 2.05548 1.81105 -99.41622 387.20855
8630.0000 -101.60456 -99.98903 1.61553 1.77265 -99.87283 358.49215
8635.0000 -101.85214 -99.90461 1.94753 1.78214 -99.76000 371.56030
8640.0000 -101.84976 -100.23329 1.61647 1.76972 -99.90770 368.51409
8645.0000 -101.63774 -99.84992 1.78783 1.75876 -100.03801 350.57318
8650.0000 -101.96467 -99.84592 2.11875 1.77372 -99.86017 367.55897
8655.0000 -101.41967 -99.30473 2.11494 1.79567 -99.59911 383.69249
8660.0000 -101.57547 -99.16143 2.41403 1.80819 -99.45028 401.87711
8665.0000 -102.02997 -100.31436 1.71560 1.78583 -99.71611 377.55546
8670.0000 -101.56432 -99.56187 2.00245 1.78423 -99.73510 379.52728
8675.0000 -101.51474 -99.38228 2.13245 1.80258 -99.51695 398.32436
8680.0000 -101.64143 -99.42634 2.21510 1.82369 -99.26590 412.29898
8685.0000 -102.10436 -100.32213 1.78223 1.78043 -99.78035 373.22312
8690.0000 -101.85851 -99.73782 2.12068 1.76779 -99.93061 359.49416
8695.0000 -102.02545 -100.31072 1.71473 1.76705 -99.93941 357.90921
8700.0000 -101.44563 -99.16605 2.27958 1.78180 -99.76398 370.68366
8705.0000 -101.36630 -99.52448 1.84182 1.82002 -99.30958 409.41220
8710.0000 -101.66796 -99.56313 2.10483 1.79243 -99.63762 389.25987
8715.0000 -101.99661 -99.83309 2.16352 1.80876 -99.44350 398.98125
8720.0000 -101.76559 -99.87701 1.88858 1.76612 -99.95050 363.61174
8725.0000 -102.01727 -100.36413 1.65315 1.73577 -100.31129 328.54273
8730.0000 -101.28352 -99.48394 1.79958 1.78378 -99.74054 379.17218
8735.0000 -101.21484 -99.17658 2.03827 1.81998 -99.31012 407.79094
8740.0000 -101.66783 -99.57214 2.09569 1.81555 -99.36279 402.27804
8745.0000 -101.88077 -99.86780 2.01298 1.76293 -99.98841 352.97822
8750.0000 -101.98607 -100.19704 1.78904 1.76778 -99.93077 359.24360
FREEZING PROCESS: loop number 36 T-loop= 345.00000000000000
main_MD> interactions number 36 at Temperature= 345.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88504 1.88726 -0.92462
force_rgl> df(natom) -1.14106 0.03175 -0.54312
8755.0000 -102.03165 -100.39612 1.63553 1.74330 -100.22176 331.91758
8760.0000 -101.86199 -100.22662 1.63537 1.73177 -100.35887 323.94389
8765.0000 -101.88763 -100.13056 1.75706 1.77043 -99.89923 357.73015
8770.0000 -102.10767 -100.38252 1.72515 1.74471 -100.20500 338.30723
8775.0000 -101.83776 -99.92686 1.91090 1.72531 -100.43575 305.76409
8780.0000 -102.04164 -100.16839 1.87325 1.77149 -99.88659 348.37013
8785.0000 -101.84550 -100.33214 1.51337 1.75739 -100.05432 357.02444
8790.0000 -101.99286 -99.83818 2.15468 1.74578 -100.19230 352.02703
8795.0000 -101.82083 -100.02068 1.80016 1.76244 -99.99426 359.58332
8800.0000 -101.52278 -99.08152 2.44126 1.80418 -99.49790 390.39751
8805.0000 -102.04251 -99.62030 2.42221 1.79940 -99.55472 384.53469
8810.0000 -101.75903 -99.51917 2.23986 1.77240 -99.87585 357.07909
8815.0000 -101.84575 -100.09680 1.74895 1.76562 -99.95648 357.24609
8820.0000 -102.50902 -100.69770 1.81132 1.72752 -100.40949 313.05152
8825.0000 -102.53122 -100.84846 1.68276 1.69071 -100.84706 285.68263
8830.0000 -102.53761 -100.64498 1.89263 1.70428 -100.68573 302.57111
8835.0000 -102.45972 -100.65983 1.79990 1.70255 -100.70639 297.38471
8840.0000 -102.01358 -100.49336 1.52022 1.70551 -100.67113 304.54558
8845.0000 -101.93159 -100.02070 1.91090 1.70975 -100.62073 305.61440
8850.0000 -101.45801 -99.71153 1.74648 1.77242 -99.87558 369.00014
8855.0000 -101.95056 -100.21949 1.73106 1.76121 -100.00881 358.77144
8860.0000 -102.37611 -100.67079 1.70532 1.71535 -100.55411 309.80325
8865.0000 -101.79509 -100.13280 1.66229 1.71003 -100.61735 305.39862
8870.0000 -101.57805 -99.17318 2.40487 1.78506 -99.72527 363.74974
8875.0000 -101.61223 -99.11676 2.49546 1.82702 -99.22632 412.21233
8880.0000 -102.09803 -99.77294 2.32509 1.81139 -99.41222 386.40207
8885.0000 -102.04363 -100.53234 1.51129 1.76178 -100.00208 343.43769
8890.0000 -102.01728 -100.28291 1.73437 1.72618 -100.42536 302.24037
8895.0000 -101.96756 -100.23675 1.73081 1.74601 -100.18954 332.75674
8900.0000 -101.75552 -99.97160 1.78392 1.75003 -100.14178 340.72263
8905.0000 -101.91153 -100.21840 1.69313 1.74078 -100.25178 328.07433
8910.0000 -102.21839 -100.34910 1.86929 1.73625 -100.30566 320.63089
8915.0000 -102.20901 -100.51676 1.69225 1.74351 -100.21928 340.96943
8920.0000 -102.01240 -99.97717 2.03523 1.73769 -100.28846 335.87229
8925.0000 -101.25533 -99.65342 1.60191 1.77301 -99.86860 374.27421
8930.0000 -102.18759 -100.51972 1.66787 1.77501 -99.84480 360.11392
8935.0000 -101.93977 -100.56168 1.37809 1.72003 -100.49845 303.26748
8940.0000 -101.94795 -100.06822 1.87974 1.74715 -100.17608 331.52297
8945.0000 -102.07018 -100.45943 1.61075 1.73463 -100.32489 335.57421
8950.0000 -101.94047 -99.98622 1.95426 1.74929 -100.15055 332.81630
8955.0000 -102.13614 -99.84764 2.28850 1.76527 -99.96057 353.69383
8960.0000 -102.00334 -100.09487 1.90847 1.74892 -100.15497 341.94275
8965.0000 -101.82482 -99.94479 1.88003 1.74776 -100.16873 337.58498
8970.0000 -102.14319 -99.83610 2.30709 1.75337 -100.10202 343.98065
8975.0000 -101.90122 -100.07467 1.82656 1.76143 -100.00619 345.83387
8980.0000 -102.08040 -100.27287 1.80753 1.75323 -100.10374 343.88891
8985.0000 -102.23638 -100.31466 1.92172 1.73283 -100.34634 328.34359
8990.0000 -101.75409 -100.04492 1.70918 1.75829 -100.04359 351.76767
8995.0000 -102.09736 -100.11899 1.97837 1.77219 -99.87832 354.06304
9000.0000 -101.87639 -100.10673 1.76966 1.74307 -100.22453 333.87758
FREEZING PROCESS: loop number 37 T-loop= 320.00000000000000
main_MD> interactions number 37 at Temperature= 320.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35986 1.05229 1.83380
force_rgl> df(natom) 0.31664 3.33773 0.19695
9005.0000 -102.02065 -99.93047 2.09018 1.74738 -100.17334 347.27303
9010.0000 -101.95328 -99.87376 2.07952 1.77659 -99.82600 374.64900
9015.0000 -102.40328 -100.38969 2.01360 1.75348 -100.10078 352.28854
9020.0000 -102.28793 -100.68201 1.60592 1.71219 -100.59170 305.82433
9025.0000 -102.34123 -100.63411 1.70712 1.70142 -100.71973 296.68190
9030.0000 -102.58376 -100.87274 1.71101 1.71042 -100.61282 308.27904
9035.0000 -102.50208 -101.11577 1.38632 1.68857 -100.87253 281.70470
9040.0000 -102.37472 -101.13044 1.24428 1.67579 -101.02448 271.45311
9045.0000 -101.92322 -100.26382 1.65940 1.71965 -100.50299 306.73089
9050.0000 -101.98947 -100.12335 1.86612 1.72673 -100.41887 317.74229
9055.0000 -101.88991 -100.08746 1.80245 1.72479 -100.44189 321.38543
9060.0000 -102.17272 -100.39543 1.77729 1.75723 -100.05621 352.33020
9065.0000 -101.90133 -100.33181 1.56952 1.72788 -100.40517 327.09337
9070.0000 -102.06752 -100.56048 1.50704 1.70646 -100.65984 301.68015
9075.0000 -102.21486 -100.77346 1.44140 1.69465 -100.80026 292.79813
9080.0000 -102.14957 -100.42112 1.72845 1.70872 -100.63296 305.07816
9085.0000 -102.33852 -100.41077 1.92775 1.72687 -100.41713 309.99105
9090.0000 -101.97964 -100.18528 1.79436 1.74456 -100.20683 332.43864
9095.0000 -102.28803 -100.80760 1.48043 1.72342 -100.45815 309.75233
9100.0000 -102.16097 -100.37132 1.78965 1.71202 -100.59375 297.99638
9105.0000 -102.10586 -100.11269 1.99317 1.75453 -100.08825 333.16039
9110.0000 -101.84324 -100.33877 1.50447 1.75129 -100.12676 338.88966
9115.0000 -102.17226 -100.47430 1.69796 1.73223 -100.35338 324.68581
9120.0000 -102.04421 -100.26879 1.77542 1.72213 -100.47358 314.39353
9125.0000 -101.96233 -100.65321 1.30912 1.72799 -100.40389 324.97702
9130.0000 -101.66035 -99.95638 1.70398 1.74067 -100.25309 339.96056
9135.0000 -101.96042 -100.25625 1.70417 1.75975 -100.02619 357.65897
9140.0000 -102.22224 -99.95998 2.26226 1.76679 -99.94247 367.10900
9145.0000 -101.57366 -99.89815 1.67551 1.76739 -99.93536 365.80681
9150.0000 -101.90255 -100.26094 1.64161 1.74809 -100.16483 335.45914
9155.0000 -102.24045 -100.11266 2.12778 1.74653 -100.18336 341.33759
9160.0000 -101.79569 -99.99564 1.80004 1.77168 -99.88437 366.24943
9165.0000 -101.92095 -100.11228 1.80867 1.75442 -100.08962 339.96140
9170.0000 -102.50403 -100.97974 1.52430 1.72667 -100.41954 305.51791
9175.0000 -102.07580 -100.18004 1.89576 1.70258 -100.70603 289.51439
9180.0000 -102.17658 -100.14290 2.03368 1.76326 -99.98448 354.59140
9185.0000 -101.71368 -100.07808 1.63561 1.76845 -99.92275 358.76177
9190.0000 -102.37062 -100.66224 1.70839 1.72290 -100.46436 299.36767
9195.0000 -102.02870 -99.92305 2.10565 1.75031 -100.13842 330.92403
9200.0000 -101.65077 -99.73064 1.92013 1.77702 -99.82082 377.49170
9205.0000 -102.13951 -100.60320 1.53631 1.73739 -100.29212 329.36442
9210.0000 -102.15513 -100.35437 1.80076 1.70943 -100.62451 305.38711
9215.0000 -102.30855 -100.29700 2.01155 1.72513 -100.43784 326.45783
9220.0000 -102.24166 -100.53578 1.70588 1.74198 -100.23751 340.78857
9225.0000 -101.71602 -99.57794 2.13808 1.75749 -100.05305 350.15832
9230.0000 -101.89144 -100.03529 1.85615 1.78228 -99.75834 385.60699
9235.0000 -101.92516 -100.19963 1.72553 1.75807 -100.04619 359.07736
9240.0000 -101.96462 -100.41875 1.54587 1.70828 -100.63826 301.57039
9245.0000 -102.24721 -100.15099 2.09622 1.73912 -100.27155 327.44938
9250.0000 -102.09235 -100.18867 1.90368 1.74606 -100.18905 337.43942
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 48.3214116 [s].
main_MD> Deallocating global variables
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