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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_20/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_20.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 = 20 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 20 2000
main_MD> Size of nv and nvoiz: 20 2000
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 = 20
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> 5.5614903685518871E-002 -1.0539335313090703E-002 -0.19041052722140392 initial drift of cluster / NP1 for coalescence
init> 0.45993457835015478 0.43605800911462600 0.29233739245246915 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7192317130580674E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.90371 -3.55769 3.42453
force_rgl> df(natom) 0.97051 0.80227 1.36482
preparo> THERMALIZATION PROCESS AT 1192.0828916022606
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -39.100654637828505 3.3786157276564430 -42.479270365484950 6.2028945504131062E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1175.0000000000000
main_MD> interactions number 1 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.95432 1.28498 -0.54098
force_rgl> df(natom) 0.45621 1.02937 2.01896
5.0000 -41.98033 -39.61572 2.36461 2.63595 -39.57818 1274.31898
10.0000 -42.82171 -39.24779 3.57392 2.64451 -39.51506 1341.30660
15.0000 -42.55468 -38.55366 4.00101 2.69812 -39.12005 1442.26624
20.0000 -43.44719 -39.90564 3.54155 2.59566 -39.87503 1366.76416
25.0000 -44.36550 -41.27150 3.09400 2.42242 -41.15142 1184.70728
30.0000 -43.77546 -40.82815 2.94731 2.43320 -41.07206 1135.42362
35.0000 -44.03541 -40.72637 3.30904 2.47124 -40.79176 1273.29849
40.0000 -43.67259 -40.92837 2.74423 2.50180 -40.56658 1336.39803
45.0000 -43.67139 -40.76409 2.90730 2.47149 -40.78993 1222.54100
50.0000 -43.46253 -40.33508 3.12745 2.48367 -40.70014 1289.55397
55.0000 -44.26680 -40.76653 3.50027 2.59130 -39.90717 1288.83064
60.0000 -44.26522 -40.80248 3.46273 2.47386 -40.77243 1200.36319
65.0000 -42.90918 -39.38086 3.52833 2.58698 -39.93900 1304.14197
70.0000 -43.39939 -40.20409 3.19530 2.57023 -40.06239 1350.20435
75.0000 -44.07401 -40.08880 3.98521 2.58938 -39.92127 1319.84933
80.0000 -43.22602 -40.01492 3.21110 2.63973 -39.55028 1394.18535
85.0000 -42.81225 -39.22060 3.59165 2.58718 -39.93753 1360.52746
90.0000 -44.41283 -40.33532 4.07751 2.55879 -40.14668 1269.19706
95.0000 -43.47827 -40.37972 3.09855 2.53997 -40.28531 1286.97497
100.0000 -44.41027 -41.05704 3.35323 2.44864 -40.95824 1280.11099
105.0000 -44.14071 -41.44903 2.69168 2.45973 -40.87657 1237.00806
110.0000 -43.52926 -40.78876 2.74050 2.46788 -40.81651 1174.55463
115.0000 -44.51474 -41.73465 2.78009 2.36047 -41.60788 1069.81258
120.0000 -42.76368 -40.03819 2.72549 2.35554 -41.64422 1069.56486
125.0000 -43.25840 -40.59399 2.66441 2.50399 -40.55043 1182.55080
130.0000 -43.62434 -41.05261 2.57173 2.48223 -40.71075 1176.21678
135.0000 -42.82934 -40.46007 2.36927 2.47807 -40.74146 1196.42134
140.0000 -43.44149 -40.07731 3.36418 2.48114 -40.71881 1183.55725
145.0000 -44.21297 -41.09494 3.11803 2.51570 -40.46416 1261.38807
150.0000 -43.02938 -40.73562 2.29375 2.49214 -40.63774 1178.63568
155.0000 -42.48489 -39.40720 3.07770 2.56568 -40.09594 1335.69615
160.0000 -44.44337 -40.77634 3.66703 2.47577 -40.75838 1237.38510
165.0000 -43.66387 -39.50934 4.15453 2.49678 -40.60354 1311.96109
170.0000 -42.64262 -39.51975 3.12287 2.62509 -39.65817 1370.26182
175.0000 -43.79065 -40.32259 3.46806 2.64794 -39.48982 1361.20564
180.0000 -43.28291 -40.18527 3.09764 2.58047 -39.98691 1326.13118
185.0000 -43.03915 -39.53857 3.50058 2.55759 -40.15549 1306.48326
190.0000 -42.76858 -40.83425 1.93433 2.49835 -40.59199 1226.61147
195.0000 -45.00627 -41.97036 3.03591 2.44919 -40.95422 1166.06325
200.0000 -43.93486 -41.36612 2.56874 2.40080 -41.31074 1116.87562
205.0000 -44.95571 -41.42422 3.53150 2.39130 -41.38075 1168.13791
210.0000 -43.24139 -38.99778 4.24362 2.51952 -40.43604 1232.29638
215.0000 -41.81012 -37.45532 4.35481 2.75799 -38.67896 1456.75704
220.0000 -43.10469 -39.45110 3.65358 2.73553 -38.84445 1520.47164
225.0000 -44.10368 -41.59642 2.50725 2.41472 -41.20816 1178.73377
230.0000 -43.66182 -40.45093 3.21089 2.36818 -41.55108 1075.31094
235.0000 -43.74894 -40.98765 2.76129 2.50688 -40.52916 1224.15659
240.0000 -44.19123 -41.38268 2.80855 2.45449 -40.91519 1174.95065
245.0000 -44.68507 -42.15889 2.52619 2.33000 -41.83244 1045.17874
250.0000 -44.41404 -42.04943 2.36462 2.27913 -42.20726 987.92681
FREEZING PROCESS: loop number 2 T-loop= 1150.0000000000000
main_MD> interactions number 2 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78863 -0.91479 -0.60537
force_rgl> df(natom) -3.44978 -0.52745 0.79743
255.0000 -44.69764 -41.70183 2.99580 2.32561 -41.86475 1083.82140
260.0000 -45.01078 -42.69236 2.31843 2.30431 -42.02172 1028.71254
265.0000 -44.32947 -41.52976 2.79972 2.29641 -42.07987 1042.23119
270.0000 -43.49312 -40.55142 2.94170 2.42736 -41.11508 1185.00916
275.0000 -44.78393 -40.81577 3.96816 2.46284 -40.85361 1172.58765
280.0000 -43.88230 -41.50713 2.37517 2.38947 -41.39424 1058.88133
285.0000 -44.59122 -41.39916 3.19206 2.34812 -41.69891 1065.46404
290.0000 -44.48912 -42.06559 2.42352 2.32619 -41.86049 1061.62649
295.0000 -44.18409 -41.71864 2.46544 2.19874 -42.79956 897.13268
300.0000 -43.15164 -39.69964 3.45200 2.50062 -40.57530 1107.44193
305.0000 -43.05721 -40.06138 2.99582 2.57583 -40.02114 1317.80624
310.0000 -43.54779 -40.11435 3.43344 2.53091 -40.35206 1245.31454
315.0000 -43.62052 -39.53089 4.08962 2.66837 -39.33927 1421.09494
320.0000 -43.91495 -39.84416 4.07078 2.59853 -39.85390 1301.62479
325.0000 -44.50950 -41.04778 3.46172 2.44140 -41.01164 1197.22967
330.0000 -45.47811 -42.41218 3.06593 2.38471 -41.42933 1092.33707
335.0000 -44.93984 -41.26639 3.67346 2.32766 -41.84967 1030.68635
340.0000 -44.31829 -41.94077 2.37752 2.35219 -41.66889 1138.04279
345.0000 -44.65102 -42.15107 2.49995 2.34877 -41.69408 1110.59953
350.0000 -43.95306 -40.82826 3.12481 2.38768 -41.40742 1109.31529
355.0000 -44.94784 -41.83036 3.11748 2.45201 -40.93341 1189.78191
360.0000 -44.20670 -40.89520 3.31150 2.44730 -40.96815 1238.10470
365.0000 -44.82121 -42.27969 2.54152 2.38613 -41.41887 1160.52356
370.0000 -45.12955 -42.33331 2.79624 2.29920 -42.05936 1055.57914
375.0000 -44.28733 -41.96432 2.32301 2.33873 -41.76806 1164.88320
380.0000 -43.55513 -40.48829 3.06685 2.38885 -41.39878 1112.45177
385.0000 -43.36769 -40.08215 3.28555 2.44841 -40.95994 1199.86679
390.0000 -42.61578 -38.22551 4.39026 2.70281 -39.08551 1345.12130
395.0000 -42.27744 -39.71880 2.55865 2.62360 -39.66915 1352.74708
400.0000 -43.81885 -40.60118 3.21766 2.47283 -40.78004 1238.15581
405.0000 -43.32972 -39.83054 3.49918 2.53956 -40.28833 1243.05706
410.0000 -42.13213 -39.02470 3.10743 2.66433 -39.36906 1340.09005
415.0000 -44.64229 -41.87307 2.76921 2.48343 -40.70193 1275.64571
420.0000 -45.13423 -42.29200 2.84224 2.31590 -41.93632 1061.95772
425.0000 -45.82177 -42.94355 2.87821 2.26117 -42.33956 965.42436
430.0000 -44.15343 -41.86582 2.28761 2.31163 -41.96775 1114.22711
435.0000 -43.32479 -41.01484 2.30995 2.38659 -41.41546 1090.66366
440.0000 -43.29030 -40.26541 3.02489 2.55908 -40.14450 1252.98913
445.0000 -44.12057 -40.96162 3.15895 2.43614 -41.05035 1203.18764
450.0000 -44.55791 -40.68303 3.87489 2.56666 -40.08872 1276.67930
455.0000 -44.09453 -41.26314 2.83139 2.36448 -41.57838 1185.83000
460.0000 -45.11461 -41.88794 3.22667 2.34854 -41.69579 1045.94013
465.0000 -45.17324 -42.02437 3.14887 2.31621 -41.93399 1039.32426
470.0000 -44.30585 -41.65215 2.65371 2.34327 -41.73464 1059.64953
475.0000 -43.79612 -40.77835 3.01776 2.45995 -40.87491 1078.33527
480.0000 -44.03232 -40.93188 3.10044 2.41719 -41.18997 1092.84172
485.0000 -44.81821 -42.38499 2.43323 2.44884 -40.95676 1152.53780
490.0000 -44.56620 -42.71759 1.84860 2.20556 -42.74932 972.37979
495.0000 -44.10735 -41.56695 2.54041 2.32921 -41.83827 993.50402
500.0000 -45.30846 -42.31251 2.99595 2.20539 -42.75054 923.60426
FREEZING PROCESS: loop number 3 T-loop= 1125.0000000000000
main_MD> interactions number 3 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87518 -1.20101 -1.86502
force_rgl> df(natom) -0.50801 0.07645 1.50714
505.0000 -45.28827 -42.08664 3.20163 2.26778 -42.29084 959.65748
510.0000 -43.76171 -40.89099 2.87072 2.39231 -41.37331 1123.52921
515.0000 -43.85185 -40.83556 3.01629 2.45205 -40.93317 1142.52115
520.0000 -43.61361 -40.98206 2.63155 2.38471 -41.42930 1053.82379
525.0000 -44.70000 -41.44408 3.25592 2.41552 -41.20227 1156.09394
530.0000 -43.67783 -40.85806 2.81977 2.41738 -41.18860 1106.65995
535.0000 -44.77340 -41.32220 3.45120 2.41972 -41.17133 1126.92986
540.0000 -44.47638 -40.62521 3.85117 2.38074 -41.45852 1122.69649
545.0000 -43.76231 -41.04721 2.71510 2.48410 -40.69696 1278.11186
550.0000 -44.02664 -40.66070 3.36594 2.51349 -40.48046 1278.32737
555.0000 -44.27932 -41.72209 2.55723 2.44068 -41.01690 1141.15702
560.0000 -45.21298 -42.41893 2.79404 2.30635 -42.00663 994.28148
565.0000 -44.40879 -40.95016 3.45863 2.25868 -42.35788 1001.07492
570.0000 -44.21398 -41.39017 2.82381 2.45414 -40.91774 1180.93726
575.0000 -43.78792 -40.75700 3.03092 2.43636 -41.04872 1138.26246
580.0000 -44.39461 -39.73378 4.66083 2.57399 -40.03469 1361.63059
585.0000 -43.86952 -39.66440 4.20513 2.69119 -39.17115 1481.05333
590.0000 -43.07287 -40.27198 2.80089 2.57928 -39.99573 1275.28466
595.0000 -44.24925 -40.46380 3.78545 2.46588 -40.83122 1235.04616
600.0000 -44.29119 -41.04696 3.24423 2.39698 -41.33890 1108.10118
605.0000 -44.00863 -41.22076 2.78786 2.44207 -41.00670 1165.03606
610.0000 -44.52193 -41.40868 3.11325 2.37065 -41.53288 1087.81080
615.0000 -44.02509 -41.32503 2.70006 2.46719 -40.82159 1158.83172
620.0000 -43.59699 -40.30643 3.29056 2.45549 -40.90779 1147.72560
625.0000 -43.59413 -40.19416 3.39997 2.55213 -40.19575 1311.08817
630.0000 -43.25879 -39.91801 3.34077 2.59447 -39.88379 1282.95605
635.0000 -43.85772 -40.93016 2.92756 2.50796 -40.52123 1268.72976
640.0000 -44.63711 -40.88810 3.74902 2.51408 -40.47608 1214.22857
645.0000 -43.28785 -40.71287 2.57497 2.45676 -40.89844 1237.03052
650.0000 -43.32891 -41.10845 2.22046 2.40923 -41.24868 1096.74583
655.0000 -44.69795 -41.24852 3.44943 2.41630 -41.19655 1031.23041
660.0000 -43.73709 -41.13089 2.60619 2.41111 -41.23476 1178.90023
665.0000 -44.67681 -41.60499 3.07182 2.43455 -41.06212 1144.88411
670.0000 -44.95083 -41.64591 3.30492 2.37011 -41.53689 1101.44356
675.0000 -44.53251 -42.08923 2.44327 2.33739 -41.77794 1072.99636
680.0000 -45.09217 -42.50257 2.58960 2.32483 -41.87047 1058.88307
685.0000 -44.10357 -41.85288 2.25068 2.23630 -42.52280 937.74486
690.0000 -45.39523 -41.92518 3.47005 2.31868 -41.91581 1055.59522
695.0000 -44.46425 -40.91368 3.55057 2.44189 -41.00801 1136.19381
700.0000 -43.38023 -41.10808 2.27215 2.43229 -41.07877 1064.88313
705.0000 -44.48165 -42.58735 1.89430 2.29974 -42.05538 1012.29518
710.0000 -45.25670 -42.68746 2.56924 2.26382 -42.32002 935.46846
715.0000 -44.71862 -41.86198 2.85664 2.33806 -41.77303 1023.85016
720.0000 -44.45413 -41.94081 2.51332 2.27643 -42.22709 987.43219
725.0000 -43.37262 -41.30644 2.06618 2.35839 -41.62323 1046.69922
730.0000 -44.33182 -41.90621 2.42561 2.29061 -42.12267 983.49228
735.0000 -43.92115 -41.29298 2.62817 2.34758 -41.70285 1022.59693
740.0000 -43.73537 -40.40666 3.32871 2.44828 -40.96092 1201.34523
745.0000 -43.90975 -40.50534 3.40441 2.51512 -40.46843 1266.80685
750.0000 -44.31372 -40.33432 3.97940 2.48920 -40.65944 1217.20705
FREEZING PROCESS: loop number 4 T-loop= 1100.0000000000000
main_MD> interactions number 4 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89763 -0.80257 -1.99407
force_rgl> df(natom) -0.99287 2.32720 -2.30805
755.0000 -43.35037 -40.89144 2.45893 2.51193 -40.49195 1165.14724
760.0000 -44.00965 -41.51700 2.49265 2.44202 -41.00702 1043.07139
765.0000 -43.54573 -40.59746 2.94826 2.46825 -40.81380 1175.91234
770.0000 -43.59330 -40.81180 2.78150 2.50246 -40.56172 1208.02094
775.0000 -43.69980 -39.77822 3.92158 2.43838 -41.03383 1158.02636
780.0000 -42.82375 -39.57468 3.24907 2.68665 -39.20462 1420.26061
785.0000 -44.05745 -40.78009 3.27736 2.46694 -40.82341 1134.56666
790.0000 -44.32334 -41.39284 2.93049 2.38265 -41.44447 1159.43965
795.0000 -43.84732 -40.49092 3.35639 2.43612 -41.05052 1190.94247
800.0000 -43.51475 -40.23313 3.28162 2.53130 -40.34919 1218.14027
805.0000 -43.07741 -40.02911 3.04830 2.54465 -40.25084 1296.52657
810.0000 -44.82002 -40.25843 4.56159 2.57002 -40.06394 1273.18140
815.0000 -43.30536 -39.72978 3.57558 2.53431 -40.32701 1238.73673
820.0000 -43.82241 -41.22862 2.59379 2.53792 -40.30048 1200.21868
825.0000 -43.05535 -41.55156 1.50379 2.41267 -41.22329 1145.12508
830.0000 -43.38403 -40.56380 2.82023 2.36199 -41.59669 1064.38371
835.0000 -44.61759 -42.77455 1.84305 2.29642 -42.07983 988.12713
840.0000 -45.11145 -42.97293 2.13853 2.24148 -42.48462 938.65701
845.0000 -44.09187 -41.01913 3.07274 2.33448 -41.79937 1014.41695
850.0000 -43.60304 -39.82432 3.77872 2.41089 -41.23644 1158.68720
855.0000 -44.43171 -42.47543 1.95628 2.38951 -41.39396 1115.61081
860.0000 -44.23899 -40.76994 3.46906 2.39664 -41.34139 1136.34515
865.0000 -43.70089 -40.53708 3.16381 2.48155 -40.71576 1138.09335
870.0000 -44.83772 -41.42377 3.41395 2.43783 -41.03788 1185.97265
875.0000 -45.28709 -43.02213 2.26496 2.33381 -41.80436 1122.42699
880.0000 -45.24155 -43.58221 1.65934 2.21224 -42.70006 971.63241
885.0000 -44.79965 -41.82444 2.97521 2.16626 -43.03886 876.03411
890.0000 -44.63175 -41.45664 3.17511 2.33030 -41.83020 1008.68084
895.0000 -43.56965 -40.83885 2.73080 2.40155 -41.30521 1116.74851
900.0000 -44.10019 -41.36879 2.73140 2.41568 -41.20108 1128.90297
905.0000 -45.00473 -42.28484 2.71989 2.30238 -42.03591 1031.02316
910.0000 -43.28567 -40.94757 2.33810 2.30100 -42.04606 1011.93193
915.0000 -44.83466 -40.98786 3.84680 2.43009 -41.09493 1159.99383
920.0000 -44.96552 -42.25361 2.71191 2.41013 -41.24199 1114.66868
925.0000 -44.13178 -41.38207 2.74971 2.31808 -41.92026 1030.83589
930.0000 -45.18472 -41.27408 3.91064 2.40415 -41.28606 1185.96772
935.0000 -43.93636 -41.45653 2.47983 2.35956 -41.61460 1081.06608
940.0000 -44.56379 -41.88087 2.68293 2.36561 -41.57000 1075.70022
945.0000 -45.29442 -42.63615 2.65827 2.31196 -41.96536 1025.14285
950.0000 -44.42675 -41.97674 2.45001 2.30217 -42.03748 1078.87260
955.0000 -44.91573 -42.43736 2.47837 2.21848 -42.65408 827.71272
960.0000 -43.62904 -40.77662 2.85242 2.33515 -41.79446 1054.41037
965.0000 -44.45843 -41.48209 2.97634 2.45234 -40.93098 1172.85365
970.0000 -44.92713 -42.21956 2.70757 2.33359 -41.80597 1038.77685
975.0000 -43.06655 -40.84480 2.22174 2.31208 -41.96446 1027.07162
980.0000 -44.61926 -41.79710 2.82216 2.37532 -41.49852 1013.57588
985.0000 -45.19061 -42.19632 2.99429 2.28751 -42.14550 990.29179
990.0000 -44.79026 -42.18996 2.60030 2.38378 -41.43619 1145.84711
995.0000 -45.25699 -41.36983 3.88716 2.36476 -41.57634 1097.87881
1000.0000 -44.40174 -41.74102 2.66072 2.40709 -41.26439 1145.55310
FREEZING PROCESS: loop number 5 T-loop= 1075.0000000000000
main_MD> interactions number 5 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.64721 2.86219 -0.77791
force_rgl> df(natom) 1.38088 -1.58662 -3.36917
1005.0000 -44.57681 -41.27381 3.30300 2.41117 -41.23432 1145.11744
1010.0000 -44.07120 -41.06299 3.00821 2.41455 -41.20942 1120.74969
1015.0000 -44.21076 -41.56550 2.64525 2.42125 -41.16011 1143.90714
1020.0000 -44.84380 -41.83573 3.00807 2.35417 -41.65433 1080.72437
1025.0000 -45.46413 -42.95600 2.50813 2.22242 -42.62509 996.49364
1030.0000 -44.07323 -41.54657 2.52666 2.30744 -41.99861 1010.91646
1035.0000 -43.57190 -40.86956 2.70234 2.42393 -41.14030 1092.33882
1040.0000 -44.31819 -41.55603 2.76216 2.47904 -40.73431 1216.17161
1045.0000 -44.80995 -40.40132 4.40863 2.41257 -41.22406 1062.36188
1050.0000 -42.88497 -40.64667 2.23830 2.47172 -40.78819 1207.25047
1055.0000 -45.72678 -42.57288 3.15390 2.24570 -42.45354 1018.39693
1060.0000 -45.37867 -43.37586 2.00280 2.23313 -42.54613 1007.93950
1065.0000 -44.46617 -41.95869 2.50748 2.27027 -42.27248 967.90527
1070.0000 -44.77847 -42.50260 2.27587 2.27867 -42.21065 981.55013
1075.0000 -45.15618 -42.13777 3.01841 2.28373 -42.17333 967.31443
1080.0000 -44.26937 -41.20764 3.06172 2.27688 -42.22383 939.43585
1085.0000 -44.88154 -41.51547 3.36606 2.49052 -40.64969 1167.71254
1090.0000 -44.48525 -41.72691 2.75834 2.33995 -41.75908 1068.37354
1095.0000 -45.54351 -42.58887 2.95464 2.26355 -42.32199 1000.93604
1100.0000 -45.03307 -42.23865 2.79441 2.25549 -42.38138 997.90833
1105.0000 -44.75382 -42.74701 2.00680 2.26826 -42.28734 958.75699
1110.0000 -44.92647 -42.24500 2.68147 2.29897 -42.06104 1011.41891
1115.0000 -44.55559 -41.60922 2.94638 2.32480 -41.87072 997.86120
1120.0000 -44.62176 -41.08834 3.53343 2.37962 -41.46679 1072.24084
1125.0000 -43.82166 -40.39060 3.43106 2.47511 -40.76324 1198.75125
1130.0000 -43.59823 -39.96220 3.63603 2.65183 -39.46117 1467.69218
1135.0000 -43.41835 -40.28333 3.13502 2.54456 -40.25152 1246.26995
1140.0000 -44.81799 -41.34171 3.47628 2.40271 -41.29669 1084.53298
1145.0000 -44.87286 -42.22798 2.64488 2.33489 -41.79640 1070.88224
1150.0000 -44.55619 -41.87445 2.68174 2.34443 -41.72612 1072.90741
1155.0000 -44.91343 -42.36730 2.54613 2.33716 -41.77963 1097.61927
1160.0000 -43.79870 -41.58474 2.21396 2.31169 -41.96734 1031.99995
1165.0000 -43.68303 -41.23172 2.45131 2.39100 -41.38293 1092.03564
1170.0000 -43.97156 -40.77550 3.19606 2.46372 -40.84713 1154.60444
1175.0000 -44.40619 -41.88373 2.52246 2.33043 -41.82922 1076.76832
1180.0000 -43.99683 -41.14832 2.84851 2.35019 -41.68366 1207.31060
1185.0000 -44.34179 -41.75340 2.58838 2.37414 -41.50716 1110.62314
1190.0000 -45.10551 -41.89367 3.21184 2.35509 -41.64755 1066.23905
1195.0000 -44.88609 -41.83766 3.04843 2.31687 -41.92916 991.79259
1200.0000 -44.45894 -40.58837 3.87057 2.38083 -41.45790 1109.44704
1205.0000 -43.78192 -40.81819 2.96373 2.49124 -40.64435 1260.78584
1210.0000 -44.82609 -41.77387 3.05222 2.37939 -41.46850 1208.87015
1215.0000 -43.82281 -41.10953 2.71328 2.38807 -41.40456 1090.66882
1220.0000 -43.74979 -40.70515 3.04465 2.42714 -41.11670 1148.56922
1225.0000 -44.00187 -40.27525 3.72663 2.54564 -40.24359 1314.71319
1230.0000 -44.59434 -40.89177 3.70257 2.59905 -39.85001 1317.49570
1235.0000 -45.63874 -43.10600 2.53274 2.33806 -41.77300 1096.68050
1240.0000 -44.34727 -42.41814 1.92912 2.21849 -42.65400 921.61518
1245.0000 -43.54376 -41.33912 2.20464 2.30695 -42.00225 1001.13325
1250.0000 -43.55919 -40.88054 2.67865 2.40402 -41.28705 1128.22310
FREEZING PROCESS: loop number 6 T-loop= 1050.0000000000000
main_MD> interactions number 6 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69232 1.44450 0.05728
force_rgl> df(natom) 2.67703 -6.96500 -0.03659
1255.0000 -44.43655 -42.21482 2.22172 2.38943 -41.39450 1065.19006
1260.0000 -44.17024 -40.06044 4.10979 2.38643 -41.41661 1140.87878
1265.0000 -43.29229 -40.32002 2.97227 2.52666 -40.38340 1234.39759
1270.0000 -42.69783 -39.43082 3.26701 2.60215 -39.82721 1346.06391
1275.0000 -44.74627 -41.89399 2.85228 2.47795 -40.74234 1170.45908
1280.0000 -44.04721 -40.33939 3.70782 2.36408 -41.58132 1056.22819
1285.0000 -43.70195 -40.84931 2.85263 2.51784 -40.44836 1265.08365
1290.0000 -42.92495 -39.91527 3.00967 2.48513 -40.68943 1075.28069
1295.0000 -44.57750 -41.06511 3.51238 2.49518 -40.61538 1165.85343
1300.0000 -45.20564 -41.19496 4.01068 2.43971 -41.02408 1151.71390
1305.0000 -44.82275 -41.69002 3.13273 2.31337 -41.95492 1058.94955
1310.0000 -44.79885 -42.06789 2.73096 2.34329 -41.73451 1066.61318
1315.0000 -44.17948 -41.51505 2.66443 2.33092 -41.82562 924.84597
1320.0000 -44.38617 -41.03639 3.34978 2.33165 -41.82028 1041.38903
1325.0000 -45.00827 -42.14903 2.85924 2.35562 -41.64365 1092.26447
1330.0000 -44.66285 -41.41853 3.24432 2.35995 -41.61172 1124.96070
1335.0000 -45.06466 -41.89086 3.17380 2.27199 -42.25985 993.22330
1340.0000 -45.13934 -42.45067 2.68868 2.25080 -42.41598 943.52573
1345.0000 -44.87784 -41.54833 3.32951 2.35507 -41.64769 1062.72671
1350.0000 -44.52947 -41.50418 3.02529 2.36587 -41.56814 1135.57298
1355.0000 -45.02493 -42.44825 2.57667 2.37478 -41.50244 1103.88468
1360.0000 -43.98695 -41.26388 2.72307 2.28532 -42.16163 959.55623
1365.0000 -44.51544 -41.20512 3.31032 2.40308 -41.29396 1102.81809
1370.0000 -43.67177 -41.09983 2.57194 2.45985 -40.87570 1174.23609
1375.0000 -44.38992 -41.98394 2.40599 2.30699 -42.00193 981.87466
1380.0000 -43.99541 -41.92018 2.07523 2.38991 -41.39103 1052.62878
1385.0000 -43.95850 -41.68689 2.27161 2.34964 -41.68770 1064.59063
1390.0000 -44.03349 -41.12030 2.91319 2.35367 -41.65803 1020.18150
1395.0000 -45.14741 -41.88790 3.25950 2.36538 -41.57170 1130.55105
1400.0000 -44.66079 -41.49259 3.16820 2.32501 -41.86915 950.05580
1405.0000 -44.26489 -42.18898 2.07590 2.29775 -42.07002 1017.80808
1410.0000 -45.29390 -42.97774 2.31616 2.17716 -42.95857 875.51476
1415.0000 -43.95492 -41.05325 2.90167 2.33247 -41.81422 1026.80849
1420.0000 -43.76688 -40.80382 2.96306 2.43506 -41.05833 1133.83617
1425.0000 -44.02004 -41.46190 2.55815 2.46110 -40.86648 1133.09528
1430.0000 -43.57823 -41.07375 2.50447 2.44146 -41.01117 1161.28542
1435.0000 -44.64028 -41.70252 2.93776 2.36545 -41.57124 1095.64371
1440.0000 -44.03831 -41.53523 2.50308 2.36865 -41.54762 1052.92241
1445.0000 -44.42730 -41.92909 2.49821 2.35808 -41.62552 1050.43826
1450.0000 -44.11203 -40.65650 3.45553 2.39472 -41.35553 1156.55588
1455.0000 -43.61699 -40.73687 2.88013 2.40047 -41.31320 1185.31308
1460.0000 -43.82795 -41.14556 2.68239 2.45630 -40.90184 1259.81093
1465.0000 -44.61600 -41.91331 2.70269 2.34727 -41.70516 1083.44853
1470.0000 -45.00400 -43.06981 1.93419 2.24427 -42.46408 963.05538
1475.0000 -45.15313 -42.20481 2.94832 2.19240 -42.84625 945.02681
1480.0000 -45.18087 -42.07289 3.10798 2.31563 -41.93832 1071.95089
1485.0000 -43.91703 -41.83377 2.08326 2.29975 -42.05529 1022.70850
1490.0000 -43.81113 -41.04022 2.77091 2.35372 -41.65762 1132.86861
1495.0000 -45.08985 -41.61555 3.47430 2.40280 -41.29600 1066.87684
1500.0000 -44.66656 -41.65910 3.00746 2.34192 -41.74458 1160.76181
FREEZING PROCESS: loop number 7 T-loop= 1025.0000000000000
main_MD> interactions number 7 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46678 -2.74592 2.19337
force_rgl> df(natom) 1.21664 -5.77301 -7.12700
1505.0000 -44.24626 -41.78152 2.46475 2.33061 -41.82791 1082.85630
1510.0000 -43.88174 -41.17811 2.70364 2.38137 -41.45390 1058.86328
1515.0000 -43.95932 -40.91680 3.04252 2.39559 -41.34916 1109.75760
1520.0000 -44.00286 -41.81737 2.18549 2.37955 -41.46735 1080.96919
1525.0000 -43.78766 -41.40966 2.37800 2.35882 -41.62009 1082.13932
1530.0000 -43.32722 -40.95661 2.37061 2.45588 -40.90491 1090.81822
1535.0000 -44.07486 -41.50001 2.57485 2.43836 -41.03399 1118.19526
1540.0000 -44.22460 -41.49005 2.73456 2.31468 -41.94533 1014.74296
1545.0000 -45.36419 -42.49133 2.87286 2.28387 -42.17229 1056.42079
1550.0000 -44.15047 -41.76632 2.38414 2.29543 -42.08712 1043.88527
1555.0000 -43.86424 -41.06887 2.79537 2.38003 -41.46376 1072.17573
1560.0000 -44.77803 -42.39004 2.38799 2.32967 -41.83484 1044.14954
1565.0000 -45.42740 -42.89740 2.53000 2.22662 -42.59415 918.48833
1570.0000 -45.59579 -43.67043 1.92536 2.14609 -43.18744 899.93637
1575.0000 -44.58062 -42.68139 1.89923 2.15716 -43.10588 872.23557
1580.0000 -44.42125 -42.45710 1.96416 2.27687 -42.22386 995.63549
1585.0000 -45.17372 -41.35026 3.82345 2.30972 -41.98187 1037.17859
1590.0000 -44.93862 -42.50532 2.43330 2.28594 -42.15704 969.49226
1595.0000 -44.32980 -42.29952 2.03027 2.21760 -42.66056 913.26704
1600.0000 -44.72338 -42.20523 2.51815 2.27137 -42.26441 979.81031
1605.0000 -43.79313 -41.53290 2.26023 2.36867 -41.54746 1111.52777
1610.0000 -44.44629 -40.49774 3.94855 2.45110 -40.94014 1185.92901
1615.0000 -44.32051 -41.32126 2.99924 2.42860 -41.10594 1149.89066
1620.0000 -43.84236 -41.22513 2.61722 2.43545 -41.05541 1170.24013
1625.0000 -45.07399 -42.15286 2.92113 2.37406 -41.50776 1020.50948
1630.0000 -44.53993 -41.84547 2.69446 2.32005 -41.90570 1087.84643
1635.0000 -44.56029 -42.18854 2.37175 2.22551 -42.60228 976.39653
1640.0000 -45.28857 -42.92902 2.35954 2.21151 -42.70544 941.04920
1645.0000 -44.58919 -42.10978 2.47941 2.18987 -42.86493 939.72904
1650.0000 -45.07824 -41.92541 3.15283 2.29409 -42.09700 983.58455
1655.0000 -44.28487 -40.57778 3.70708 2.44467 -40.98753 1171.43598
1660.0000 -44.57832 -41.92636 2.65196 2.38296 -41.44218 1110.96763
1665.0000 -45.17782 -42.79219 2.38563 2.26994 -42.27494 980.21574
1670.0000 -44.10316 -41.64085 2.46231 2.25178 -42.40873 952.70295
1675.0000 -45.08357 -42.35048 2.73309 2.28161 -42.18897 988.17420
1680.0000 -43.87153 -42.05643 1.81510 2.32722 -41.85291 992.26260
1685.0000 -45.62135 -43.15190 2.46945 2.22004 -42.64259 929.59048
1690.0000 -44.66496 -42.81601 1.84895 2.22371 -42.61555 936.60435
1695.0000 -45.28413 -42.84084 2.44329 2.25700 -42.37032 973.94868
1700.0000 -43.82934 -41.57492 2.25442 2.28643 -42.15344 965.12885
1705.0000 -44.34350 -41.79020 2.55330 2.34904 -41.69212 1023.46399
1710.0000 -44.44986 -42.31188 2.13798 2.34005 -41.75839 1057.14493
1715.0000 -44.77907 -41.99868 2.78039 2.27999 -42.20092 975.83404
1720.0000 -44.24307 -41.39060 2.85247 2.31673 -41.93020 1104.60129
1725.0000 -45.01878 -41.90193 3.11684 2.33828 -41.77138 1097.81255
1730.0000 -44.72582 -42.42187 2.30396 2.24730 -42.44174 1009.52732
1735.0000 -44.95042 -42.95951 1.99092 2.18845 -42.87534 922.81797
1740.0000 -44.15197 -41.95687 2.19511 2.21909 -42.64963 922.02980
1745.0000 -45.19793 -41.64530 3.55263 2.34007 -41.75821 1061.26373
1750.0000 -44.97449 -41.41178 3.56271 2.31763 -41.92357 1039.03822
FREEZING PROCESS: loop number 8 T-loop= 1000.0000000000000
main_MD> interactions number 8 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.67569 -2.36439 -0.12434
force_rgl> df(natom) 0.30771 -0.72772 3.10620
1755.0000 -43.45871 -40.55239 2.90631 2.45165 -40.93612 1103.85469
1760.0000 -45.22092 -42.45492 2.76600 2.31418 -41.94896 988.61134
1765.0000 -44.54471 -41.63981 2.90490 2.28637 -42.15387 916.00322
1770.0000 -44.84062 -41.79137 3.04925 2.43254 -41.07686 1164.01988
1775.0000 -44.94855 -42.38463 2.56392 2.33835 -41.77091 1071.75927
1780.0000 -45.54386 -42.53540 3.00847 2.29650 -42.07925 1042.04330
1785.0000 -44.86249 -42.39156 2.47093 2.21228 -42.69976 985.02432
1790.0000 -44.32466 -41.11452 3.21014 2.26618 -42.30265 1042.51110
1795.0000 -44.99782 -41.84769 3.15013 2.34913 -41.69150 1105.36298
1800.0000 -44.95690 -42.98351 1.97340 2.23312 -42.54621 923.66513
1805.0000 -45.11896 -42.76146 2.35749 2.20776 -42.73309 945.28450
1810.0000 -45.04859 -41.90943 3.13916 2.26609 -42.30334 945.13213
1815.0000 -45.60287 -41.96815 3.63473 2.28757 -42.14501 1032.52382
1820.0000 -45.41027 -42.51403 2.89624 2.29438 -42.09485 1026.64712
1825.0000 -45.90894 -43.38403 2.52491 2.16665 -43.03600 868.48583
1830.0000 -45.20912 -42.44761 2.76151 2.11305 -43.43093 838.72683
1835.0000 -44.68921 -42.62823 2.06098 2.21369 -42.68936 959.58103
1840.0000 -44.16596 -41.87979 2.28617 2.26741 -42.29354 955.53260
1845.0000 -44.49654 -41.38206 3.11448 2.33044 -41.82915 1062.82978
1850.0000 -43.60851 -40.87409 2.73442 2.44598 -40.97783 1201.31058
1855.0000 -42.71582 -40.76744 1.94839 2.45451 -40.91498 1113.61848
1860.0000 -44.14518 -41.53657 2.60861 2.41063 -41.23834 1119.88381
1865.0000 -45.56991 -43.21394 2.35597 2.31294 -41.95813 1022.49283
1870.0000 -45.14281 -42.77249 2.37032 2.15263 -43.13928 875.27396
1875.0000 -45.11885 -42.86192 2.25693 2.27961 -42.20372 1039.43223
1880.0000 -45.27587 -42.97221 2.30367 2.10920 -43.45927 825.71132
1885.0000 -45.49766 -43.15108 2.34658 2.18423 -42.90647 956.06160
1890.0000 -45.12557 -42.80382 2.32175 2.15988 -43.08585 900.63154
1895.0000 -44.85708 -42.08844 2.76864 2.20096 -42.78318 903.80035
1900.0000 -43.72344 -41.23028 2.49316 2.33046 -41.82904 1068.44062
1905.0000 -44.04694 -41.67198 2.37496 2.37569 -41.49578 1092.69101
1910.0000 -45.36066 -42.94743 2.41322 2.30512 -42.01572 962.96045
1915.0000 -45.62424 -43.66434 1.95989 2.11042 -43.45027 813.25589
1920.0000 -45.15520 -43.05412 2.10108 2.16811 -43.02522 833.54123
1925.0000 -45.61177 -42.64252 2.96925 2.22148 -42.63198 917.11196
1930.0000 -43.75688 -41.37882 2.37806 2.26935 -42.27932 994.29625
1935.0000 -45.23858 -42.20957 3.02901 2.32779 -41.84872 1105.48460
1940.0000 -44.53307 -40.82047 3.71260 2.31093 -41.97290 1038.77999
1945.0000 -44.97782 -41.24239 3.73544 2.43197 -41.08109 1121.81666
1950.0000 -43.90080 -41.34812 2.55268 2.42173 -41.15657 1140.11981
1955.0000 -44.73629 -41.24992 3.48637 2.37719 -41.48470 1095.66083
1960.0000 -45.40508 -42.60674 2.79835 2.38114 -41.45559 1117.59267
1965.0000 -45.43749 -42.95104 2.48646 2.25746 -42.36691 975.82876
1970.0000 -45.28097 -42.41110 2.86988 2.20336 -42.76551 936.38194
1975.0000 -44.99722 -42.61468 2.38254 2.27591 -42.23094 1017.44239
1980.0000 -44.85569 -42.54563 2.31006 2.21804 -42.65737 926.63070
1985.0000 -43.97037 -41.84794 2.12242 2.23723 -42.51598 921.11995
1990.0000 -44.90236 -42.38381 2.51855 2.30673 -42.00390 1042.15066
1995.0000 -45.72791 -42.95714 2.77077 2.24424 -42.46431 945.90223
2000.0000 -45.66233 -43.51783 2.14450 2.16055 -43.08093 919.11530
FREEZING PROCESS: loop number 9 T-loop= 975.00000000000000
main_MD> interactions number 9 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24999 4.98359 4.02810
force_rgl> df(natom) 2.90508 2.01373 -2.26022
2005.0000 -44.97978 -42.34641 2.63337 2.18959 -42.86700 890.48311
2010.0000 -44.12566 -41.22853 2.89713 2.33255 -41.81362 1083.25971
2015.0000 -44.22662 -40.88666 3.33996 2.42619 -41.12368 1134.07505
2020.0000 -45.04558 -42.31182 2.73376 2.29374 -42.09960 1042.64178
2025.0000 -45.05709 -43.23722 1.81987 2.17084 -43.00511 888.62324
2030.0000 -45.16636 -43.13139 2.03497 2.17449 -42.97821 892.76576
2035.0000 -45.43216 -42.03498 3.39719 2.19863 -42.80035 935.94087
2040.0000 -44.60112 -42.02984 2.57128 2.29323 -42.10331 1002.61283
2045.0000 -45.32960 -43.53244 1.79716 2.28432 -42.16896 995.38230
2050.0000 -45.55030 -42.57822 2.97209 2.21065 -42.71177 909.02642
2055.0000 -45.59134 -43.55372 2.03762 2.19318 -42.84050 938.81526
2060.0000 -45.10768 -42.26579 2.84189 2.21574 -42.67431 903.14556
2065.0000 -43.90928 -41.22511 2.68417 2.31529 -41.94079 1082.07550
2070.0000 -44.30853 -41.89957 2.40896 2.38856 -41.40094 1087.04989
2075.0000 -44.34619 -42.65489 1.69130 2.27907 -42.20768 910.43140
2080.0000 -45.45379 -42.66487 2.78892 2.26710 -42.29589 920.43788
2085.0000 -44.58583 -42.55496 2.03088 2.23519 -42.53096 956.53225
2090.0000 -44.98270 -42.07607 2.90663 2.32539 -41.86637 1029.14448
2095.0000 -45.28403 -43.31611 1.96792 2.19540 -42.82417 928.91056
2100.0000 -45.46317 -42.61292 2.85024 2.16972 -43.01339 905.61997
2105.0000 -45.26574 -43.13560 2.13014 2.19158 -42.85230 858.96613
2110.0000 -44.13743 -41.79165 2.34578 2.22343 -42.61763 916.24963
2115.0000 -44.04089 -41.77498 2.26592 2.36180 -41.59813 1058.70916
2120.0000 -43.59119 -41.33958 2.25161 2.40089 -41.31010 1105.59087
2125.0000 -44.66977 -42.06741 2.60236 2.34372 -41.73136 1046.57055
2130.0000 -44.52938 -42.43552 2.09386 2.23945 -42.49960 927.32393
2135.0000 -45.27059 -42.23847 3.03212 2.26577 -42.30566 1001.29371
2140.0000 -45.03058 -42.39838 2.63220 2.29509 -42.08966 1032.45823
2145.0000 -44.54578 -42.10295 2.44283 2.29036 -42.12451 976.72681
2150.0000 -43.79559 -41.36470 2.43089 2.41232 -41.22591 1130.30389
2155.0000 -44.12477 -40.60636 3.51841 2.41545 -41.20284 1152.47659
2160.0000 -43.99989 -41.10669 2.89320 2.48488 -40.69123 1164.70967
2165.0000 -45.40948 -43.10329 2.30619 2.25564 -42.38031 943.95910
2170.0000 -45.33482 -42.60714 2.72768 2.30118 -42.04478 992.60516
2175.0000 -45.76283 -43.36664 2.39619 2.20029 -42.78814 917.99725
2180.0000 -45.67240 -43.26086 2.41154 2.12749 -43.32449 844.73363
2185.0000 -44.09572 -42.34708 1.74864 2.19458 -42.83017 924.82634
2190.0000 -44.74112 -42.59164 2.14948 2.23903 -42.50271 951.32185
2195.0000 -45.02808 -42.38135 2.64672 2.20019 -42.78884 930.27077
2200.0000 -44.92306 -42.03622 2.88683 2.29671 -42.07772 1009.02353
2205.0000 -44.91830 -42.38965 2.52865 2.32492 -41.86982 1047.46633
2210.0000 -44.38746 -42.57216 1.81531 2.23379 -42.54129 908.19778
2215.0000 -45.96583 -42.89360 3.07223 2.19083 -42.85781 891.20697
2220.0000 -44.62192 -42.57211 2.04981 2.19661 -42.81525 962.33484
2225.0000 -44.74982 -42.50151 2.24832 2.29304 -42.10475 1022.59817
2230.0000 -45.45300 -43.74322 1.70978 2.15084 -43.15251 844.53873
2235.0000 -45.50898 -43.13599 2.37299 2.07728 -43.69447 741.17835
2240.0000 -45.18655 -43.43420 1.75236 2.17089 -43.00477 872.75659
2245.0000 -43.93355 -42.56899 1.36456 2.22953 -42.57271 856.15857
2250.0000 -44.84583 -42.26679 2.57904 2.20192 -42.77614 935.07003
FREEZING PROCESS: loop number 10 T-loop= 950.00000000000000
main_MD> interactions number 10 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40238 -1.96935 -0.94370
force_rgl> df(natom) -2.91457 1.88626 0.60541
2255.0000 -45.11338 -41.69238 3.42100 2.37764 -41.48138 1116.69888
2260.0000 -43.73445 -41.35053 2.38392 2.32037 -41.90338 1081.27240
2265.0000 -44.67456 -41.63565 3.03890 2.41502 -41.20599 1130.36266
2270.0000 -44.90819 -42.73405 2.17415 2.26661 -42.29944 982.63213
2275.0000 -45.28715 -43.33143 1.95572 2.19017 -42.86266 856.31852
2280.0000 -45.73662 -43.67966 2.05696 2.14970 -43.16084 898.92532
2285.0000 -45.38454 -43.42485 1.95969 2.11963 -43.38241 786.11201
2290.0000 -45.21166 -42.78643 2.42523 2.16558 -43.04387 851.59823
2295.0000 -44.98005 -42.29754 2.68252 2.29462 -42.09308 996.78772
2300.0000 -43.71349 -41.47887 2.23462 2.32707 -41.85400 1013.75377
2305.0000 -44.61136 -41.84572 2.76564 2.38448 -41.43103 1046.72379
2310.0000 -44.37705 -42.03259 2.34446 2.29457 -42.09348 999.67516
2315.0000 -46.18172 -43.89235 2.28937 2.23686 -42.51868 1031.61525
2320.0000 -45.27396 -43.49346 1.78050 2.08317 -43.65105 839.05937
2325.0000 -45.95156 -43.72311 2.22845 2.09203 -43.58576 780.94881
2330.0000 -45.14790 -42.95012 2.19778 2.19881 -42.79906 936.30070
2335.0000 -44.88160 -42.25944 2.62216 2.21530 -42.67756 979.52554
2340.0000 -45.40515 -42.70463 2.70052 2.25615 -42.37657 942.01446
2345.0000 -45.88648 -42.89888 2.98760 2.21005 -42.71622 914.94591
2350.0000 -45.25511 -42.69601 2.55910 2.24188 -42.48168 1032.05147
2355.0000 -45.25163 -42.99419 2.25744 2.24155 -42.48415 885.70010
2360.0000 -45.47265 -42.79177 2.68088 2.16990 -43.01207 873.86508
2365.0000 -45.95643 -43.20677 2.74966 2.23475 -42.53422 989.17305
2370.0000 -45.84607 -43.33226 2.51381 2.17274 -42.99113 877.25972
2375.0000 -45.60292 -43.62623 1.97669 2.10091 -43.52037 810.55993
2380.0000 -44.46663 -42.18887 2.27776 2.17290 -42.98997 853.82531
2385.0000 -45.27602 -42.68504 2.59098 2.25641 -42.37464 975.39868
2390.0000 -45.17587 -41.90185 3.27402 2.26066 -42.34333 982.48530
2395.0000 -45.47080 -42.38218 3.08863 2.33915 -41.76499 1082.17569
2400.0000 -45.67897 -43.06193 2.61704 2.14878 -43.16767 862.62596
2405.0000 -44.20687 -41.90019 2.30669 2.22836 -42.58127 958.93469
2410.0000 -44.84285 -42.00941 2.83345 2.39282 -41.36956 1164.12275
2415.0000 -45.09862 -42.58541 2.51320 2.30918 -41.98584 1037.22003
2420.0000 -44.61086 -42.09084 2.52002 2.24503 -42.45851 953.69260
2425.0000 -44.98867 -43.27596 1.71271 2.25485 -42.38609 1009.82121
2430.0000 -44.45029 -41.78521 2.66508 2.27593 -42.23079 945.10133
2435.0000 -45.50201 -43.13573 2.36629 2.21605 -42.67198 912.19722
2440.0000 -45.10052 -42.52745 2.57308 2.19430 -42.83228 1008.04280
2445.0000 -44.91746 -42.98450 1.93296 2.22003 -42.64265 943.06968
2450.0000 -44.62478 -41.98704 2.63775 2.26941 -42.27882 951.78464
2455.0000 -44.17144 -41.02009 3.15135 2.39638 -41.34335 1137.69000
2460.0000 -44.47213 -41.97933 2.49280 2.36653 -41.56324 1089.75699
2465.0000 -44.21653 -42.16217 2.05436 2.30679 -42.00340 1039.34540
2470.0000 -44.63142 -42.61105 2.02037 2.28906 -42.13408 1023.10325
2475.0000 -44.62336 -41.82930 2.79405 2.27809 -42.21492 1042.91696
2480.0000 -44.74899 -42.67083 2.07816 2.25073 -42.41646 1019.27193
2485.0000 -45.79392 -42.88695 2.90697 2.17835 -42.94980 906.38697
2490.0000 -45.64797 -44.04443 1.60354 2.14673 -43.18272 905.26808
2495.0000 -45.88051 -43.29549 2.58503 2.09070 -43.59559 792.81924
2500.0000 -44.35251 -41.63766 2.71485 2.24539 -42.45584 969.30559
FREEZING PROCESS: loop number 11 T-loop= 925.00000000000000
main_MD> interactions number 11 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.89898 -2.44270 6.73473
force_rgl> df(natom) -2.37154 0.66459 -0.52676
2505.0000 -44.13297 -42.27688 1.85609 2.28361 -42.17424 1017.20038
2510.0000 -44.38049 -40.98055 3.39994 2.36838 -41.54963 1072.41937
2515.0000 -44.60593 -42.32330 2.28263 2.32900 -41.83975 1006.32972
2520.0000 -45.09503 -42.76467 2.33035 2.20292 -42.76877 921.14168
2525.0000 -44.78574 -41.91628 2.86946 2.28532 -42.16162 954.23150
2530.0000 -45.88362 -43.21241 2.67121 2.20647 -42.74259 934.92835
2535.0000 -44.90632 -43.03342 1.87291 2.13405 -43.27617 881.90322
2540.0000 -44.11138 -41.67932 2.43206 2.25436 -42.38976 891.06648
2545.0000 -44.84427 -42.31156 2.53271 2.33228 -41.81565 1007.05860
2550.0000 -44.72144 -42.54421 2.17724 2.25261 -42.40262 971.28720
2555.0000 -45.47864 -43.31244 2.16621 2.20367 -42.76326 964.83368
2560.0000 -45.40698 -43.30875 2.09823 2.19829 -42.80286 942.10951
2565.0000 -45.20154 -42.99217 2.20937 2.08842 -43.61236 841.47785
2570.0000 -45.09789 -42.54347 2.55441 2.19809 -42.80435 963.68554
2575.0000 -44.79770 -42.35680 2.44090 2.29807 -42.06765 1059.67923
2580.0000 -45.63224 -43.25438 2.37786 2.20084 -42.78410 954.03558
2585.0000 -44.43237 -41.59599 2.83638 2.26679 -42.29815 947.07152
2590.0000 -44.91555 -41.28757 3.62798 2.33002 -41.83224 1085.42248
2595.0000 -43.78257 -40.72716 3.05541 2.38218 -41.44792 1131.68936
2600.0000 -43.59420 -41.39263 2.20157 2.40406 -41.28671 1124.88011
2605.0000 -44.21002 -42.08683 2.12319 2.34786 -41.70081 1071.57775
2610.0000 -45.59290 -42.53105 3.06185 2.23955 -42.49883 965.58016
2615.0000 -45.01574 -42.65881 2.35693 2.29282 -42.10633 1017.04082
2620.0000 -44.71701 -42.40760 2.30941 2.26144 -42.33758 961.83347
2625.0000 -45.06824 -42.68397 2.38426 2.25955 -42.35152 989.27294
2630.0000 -44.56231 -42.57261 1.98970 2.20363 -42.76353 913.85740
2635.0000 -44.97643 -43.09253 1.88390 2.27487 -42.23861 996.39768
2640.0000 -45.39877 -42.63061 2.76816 2.19384 -42.83564 898.38050
2645.0000 -44.46245 -41.68894 2.77351 2.32119 -41.89732 1065.18592
2650.0000 -44.64771 -41.51541 3.13230 2.34138 -41.74854 1053.18527
2655.0000 -44.85607 -42.31436 2.54171 2.40096 -41.30959 1043.91245
2660.0000 -45.03606 -42.64668 2.38939 2.25530 -42.38280 932.92857
2665.0000 -44.57145 -41.89093 2.68051 2.29489 -42.09110 1056.45376
2670.0000 -44.91015 -42.83961 2.07054 2.18343 -42.91234 914.18207
2675.0000 -44.58352 -42.22525 2.35827 2.26870 -42.28411 988.44651
2680.0000 -45.09239 -42.39552 2.69687 2.23090 -42.56259 961.38157
2685.0000 -44.35857 -41.83507 2.52350 2.24982 -42.42319 924.62694
2690.0000 -43.88668 -41.64210 2.24458 2.26884 -42.28302 896.63689
2695.0000 -46.14582 -43.65776 2.48806 2.14784 -43.17460 897.52105
2700.0000 -45.57490 -43.35791 2.21699 2.15725 -43.10522 879.07509
2705.0000 -45.10124 -43.39970 1.70153 2.15191 -43.14460 874.14892
2710.0000 -46.24178 -43.83953 2.40225 2.10846 -43.46472 787.19013
2715.0000 -45.60323 -42.69285 2.91038 2.15602 -43.11429 960.40365
2720.0000 -45.17848 -42.25718 2.92130 2.26393 -42.31919 971.52803
2725.0000 -45.38387 -42.75895 2.62492 2.22422 -42.61181 918.56352
2730.0000 -45.87829 -43.38174 2.49655 2.11692 -43.40239 830.68499
2735.0000 -44.58293 -42.17319 2.40974 2.18130 -42.92804 863.65811
2740.0000 -45.39749 -42.61821 2.77928 2.23008 -42.56867 997.05273
2745.0000 -44.61998 -42.03990 2.58008 2.30555 -42.01255 1101.10181
2750.0000 -45.46206 -42.18048 3.28158 2.31682 -41.92954 1039.16307
FREEZING PROCESS: loop number 12 T-loop= 900.00000000000000
main_MD> interactions number 12 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.09870 0.04664 -0.06843
force_rgl> df(natom) -1.11510 1.00636 -1.46836
2755.0000 -44.66382 -42.85673 1.80709 2.22160 -42.63111 929.87864
2760.0000 -44.41951 -42.78149 1.63802 2.19675 -42.81422 896.98539
2765.0000 -44.82060 -41.73927 3.08133 2.26078 -42.34246 967.24407
2770.0000 -44.12427 -41.81446 2.30980 2.36300 -41.58925 1126.75592
2775.0000 -45.23664 -42.60248 2.63415 2.24455 -42.46198 900.27125
2780.0000 -45.44450 -42.97932 2.46518 2.14914 -43.16500 836.35467
2785.0000 -45.94711 -43.08040 2.86671 2.17986 -42.93869 881.85765
2790.0000 -45.24370 -43.11234 2.13136 2.18004 -42.93730 925.94181
2795.0000 -45.41670 -42.49315 2.92354 2.21532 -42.67737 902.96078
2800.0000 -45.00489 -42.86257 2.14231 2.17177 -42.99823 877.72668
2805.0000 -44.77938 -42.88573 1.89365 2.23828 -42.50820 940.40283
2810.0000 -45.03867 -42.98652 2.05214 2.24773 -42.43857 942.11948
2815.0000 -45.17291 -42.90551 2.26740 2.17991 -42.93829 910.94602
2820.0000 -44.85249 -42.35446 2.49803 2.24831 -42.43430 969.53457
2825.0000 -44.94091 -42.50939 2.43151 2.18021 -42.93607 816.28545
2830.0000 -45.45922 -43.39648 2.06274 2.15177 -43.14561 864.89398
2835.0000 -45.15070 -43.62473 1.52597 2.11809 -43.39377 814.21898
2840.0000 -46.02826 -44.08891 1.93935 2.05257 -43.87652 750.16870
2845.0000 -45.25134 -42.95931 2.29203 2.09184 -43.58722 884.26849
2850.0000 -45.17182 -43.37174 1.80008 2.10924 -43.45902 806.15121
2855.0000 -45.08750 -42.57315 2.51435 2.18725 -42.88418 830.00178
2860.0000 -44.95007 -43.12583 1.82425 2.17629 -42.96495 870.10108
2865.0000 -46.01148 -43.38249 2.62899 2.15966 -43.08748 857.68015
2870.0000 -45.92553 -42.96630 2.95924 2.14656 -43.18403 867.28636
2875.0000 -46.21503 -44.10441 2.11062 2.07097 -43.74097 762.59309
2880.0000 -44.97426 -42.98797 1.98629 2.03812 -43.98303 748.24662
2885.0000 -44.29871 -42.17741 2.12130 2.26701 -42.29650 985.62460
2890.0000 -44.41592 -41.68184 2.73408 2.29433 -42.09524 1017.98326
2895.0000 -45.37014 -43.15626 2.21388 2.24918 -42.42792 986.94649
2900.0000 -45.31721 -42.65544 2.66177 2.21607 -42.67188 947.15234
2905.0000 -45.62472 -42.74084 2.88388 2.23069 -42.56413 912.78670
2910.0000 -45.85075 -43.44068 2.41007 2.19604 -42.81942 931.67246
2915.0000 -45.39581 -43.10356 2.29225 2.11919 -43.38567 786.97560
2920.0000 -45.36937 -42.67765 2.69173 2.20996 -42.71691 924.81117
2925.0000 -45.54083 -43.73858 1.80225 2.14993 -43.15915 840.03976
2930.0000 -44.99454 -42.36550 2.62904 2.12851 -43.31701 824.51849
2935.0000 -45.45156 -43.08528 2.36628 2.21053 -42.71265 925.75734
2940.0000 -44.63391 -41.95436 2.67955 2.23621 -42.52347 955.40875
2945.0000 -44.83664 -42.32999 2.50665 2.37307 -41.51510 1126.43253
2950.0000 -45.26469 -42.49208 2.77261 2.26732 -42.29425 983.90000
2955.0000 -45.03997 -42.98413 2.05584 2.21580 -42.67386 946.40180
2960.0000 -44.35159 -42.82316 1.52843 2.20573 -42.74804 854.61053
2965.0000 -45.25045 -42.84577 2.40468 2.17424 -42.98003 897.67425
2970.0000 -45.15082 -42.30323 2.84759 2.17631 -42.96482 876.38768
2975.0000 -44.86653 -41.53235 3.33418 2.30998 -41.97995 1011.54313
2980.0000 -44.61032 -42.33677 2.27354 2.31510 -41.94217 960.09157
2985.0000 -44.85119 -42.66372 2.18747 2.19397 -42.83470 875.65742
2990.0000 -45.23581 -42.85983 2.37598 2.27012 -42.27360 977.93603
2995.0000 -45.48287 -43.45738 2.02549 2.16394 -43.05599 862.40982
3000.0000 -46.17599 -44.22855 1.94744 2.03770 -43.98612 720.10674
FREEZING PROCESS: loop number 13 T-loop= 875.00000000000000
main_MD> interactions number 13 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45893 -0.44273 -0.27204
force_rgl> df(natom) -0.90821 0.28942 -0.53034
3005.0000 -45.47558 -43.15687 2.31871 2.02892 -44.05080 777.36647
3010.0000 -45.16883 -43.12460 2.04423 2.15723 -43.10542 833.98801
3015.0000 -44.95578 -42.63809 2.31769 2.15638 -43.11165 828.03675
3020.0000 -44.21295 -41.51851 2.69444 2.27543 -42.23446 919.82228
3025.0000 -44.89750 -42.57121 2.32628 2.33623 -41.78652 1018.79678
3030.0000 -45.57885 -43.37747 2.20138 2.12024 -43.37792 760.91225
3035.0000 -45.37437 -42.94619 2.42818 2.20210 -42.77479 898.84227
3040.0000 -45.64906 -43.60036 2.04870 2.16984 -43.01247 837.76130
3045.0000 -45.21567 -42.95658 2.25909 2.10941 -43.45775 752.56104
3050.0000 -46.18893 -43.84305 2.34588 2.15410 -43.12847 853.87478
3055.0000 -45.47693 -43.11828 2.35865 2.10665 -43.47808 802.50329
3060.0000 -45.23478 -42.42261 2.81217 2.20927 -42.72197 935.44804
3065.0000 -45.59812 -42.60821 2.98991 2.21417 -42.68582 910.31972
3070.0000 -45.44671 -42.65990 2.78681 2.17038 -43.00848 872.48101
3075.0000 -45.44884 -43.54710 1.90174 2.12576 -43.33729 820.86745
3080.0000 -45.30947 -43.32629 1.98318 2.16184 -43.07144 871.42734
3085.0000 -44.18744 -42.27217 1.91527 2.19465 -42.82966 919.46029
3090.0000 -45.63531 -43.36395 2.27136 2.18331 -42.91324 831.41637
3095.0000 -44.98314 -42.23964 2.74350 2.16203 -43.07004 869.61343
3100.0000 -44.74389 -41.76014 2.98375 2.33158 -41.82079 1091.96270
3105.0000 -44.20673 -42.49436 1.71237 2.24192 -42.48140 933.91566
3110.0000 -45.32171 -42.61486 2.70686 2.24037 -42.49278 897.63025
3115.0000 -45.82070 -44.14681 1.67389 2.07080 -43.74223 747.72985
3120.0000 -45.66298 -42.94286 2.72012 2.12658 -43.33122 852.97034
3125.0000 -45.31646 -42.83633 2.48013 2.19555 -42.82306 918.98054
3130.0000 -45.53361 -43.36854 2.16507 2.18772 -42.88074 901.98044
3135.0000 -45.53931 -43.33954 2.19977 2.12300 -43.35762 791.15817
3140.0000 -45.30571 -43.01247 2.29324 2.13974 -43.23426 852.75974
3145.0000 -45.36354 -43.01562 2.34791 2.23335 -42.54451 992.91878
3150.0000 -45.52997 -43.10048 2.42949 2.15180 -43.14538 823.64916
3155.0000 -44.38567 -42.34325 2.04242 2.20624 -42.74426 918.48448
3160.0000 -44.99787 -42.85899 2.13888 2.19211 -42.84840 854.57192
3165.0000 -45.37390 -42.49904 2.87486 2.22529 -42.60390 958.18627
3170.0000 -45.87736 -43.78509 2.09227 2.10303 -43.50474 821.61176
3175.0000 -45.67620 -43.08965 2.58654 2.07145 -43.73745 801.21737
3180.0000 -44.38436 -41.83664 2.54772 2.23460 -42.53534 902.97872
3185.0000 -44.49066 -42.45289 2.03777 2.29067 -42.12222 992.13588
3190.0000 -44.31134 -42.38833 1.92301 2.19844 -42.80177 973.33998
3195.0000 -44.91766 -42.62487 2.29279 2.20306 -42.76769 881.61672
3200.0000 -45.16173 -43.28201 1.87972 2.24231 -42.47850 839.82018
3205.0000 -44.22355 -42.14421 2.07934 2.20844 -42.72808 886.82007
3210.0000 -44.56117 -42.63390 1.92727 2.26661 -42.29944 918.36236
3215.0000 -45.14889 -42.44804 2.70086 2.21657 -42.66817 936.32990
3220.0000 -44.81187 -42.50796 2.30391 2.26247 -42.32995 971.30807
3225.0000 -44.66195 -41.19833 3.46362 2.35449 -41.65199 1052.91708
3230.0000 -45.06070 -41.96905 3.09166 2.36595 -41.56755 1102.16192
3235.0000 -45.27357 -42.26915 3.00443 2.24515 -42.45758 1035.60818
3240.0000 -45.43683 -43.46360 1.97323 2.21520 -42.67824 897.33050
3245.0000 -45.65845 -43.47914 2.17931 2.08333 -43.64987 772.46881
3250.0000 -45.86795 -43.84607 2.02188 2.15568 -43.11684 886.42784
FREEZING PROCESS: loop number 14 T-loop= 850.00000000000000
main_MD> interactions number 14 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.40764 -1.35717 3.36232
force_rgl> df(natom) -0.07697 2.45336 0.20878
3255.0000 -45.61832 -43.66527 1.95304 2.09821 -43.54029 828.88850
3260.0000 -44.79907 -42.48097 2.31810 2.18415 -42.90702 933.94795
3265.0000 -45.00368 -42.07324 2.93044 2.27587 -42.23124 975.48996
3270.0000 -45.68249 -43.33302 2.34946 2.24707 -42.44342 943.00325
3275.0000 -44.80156 -42.47263 2.32893 2.22627 -42.59674 945.34177
3280.0000 -45.48410 -44.23356 1.25054 2.07198 -43.73349 796.57035
3285.0000 -45.71859 -43.86271 1.85588 2.07684 -43.69768 756.78769
3290.0000 -45.48353 -42.84601 2.63751 2.10778 -43.46971 861.45073
3295.0000 -45.83572 -44.23714 1.59858 2.07183 -43.73464 804.93404
3300.0000 -45.67133 -43.65122 2.02010 1.99381 -44.30945 663.12850
3305.0000 -45.56706 -42.87040 2.69666 2.13289 -43.28474 858.72162
3310.0000 -45.16477 -43.00433 2.16044 2.22412 -42.61257 973.32212
3315.0000 -46.21184 -43.77255 2.43929 2.09555 -43.55986 813.55434
3320.0000 -45.78924 -43.95299 1.83626 2.03216 -44.02691 788.21968
3325.0000 -45.51784 -43.25259 2.26525 2.12352 -43.35379 851.15099
3330.0000 -44.73850 -42.57661 2.16189 2.17818 -42.95103 852.18804
3335.0000 -44.90135 -42.99208 1.90927 2.22939 -42.57371 914.37987
3340.0000 -44.63161 -42.08720 2.54441 2.27426 -42.24311 971.98679
3345.0000 -45.05787 -42.59003 2.46784 2.21959 -42.64590 873.79705
3350.0000 -45.71996 -43.09793 2.62203 2.21709 -42.66435 957.38255
3355.0000 -45.72242 -43.57096 2.15146 2.12141 -43.36931 858.01534
3360.0000 -46.02147 -43.52516 2.49631 2.09522 -43.56232 922.40167
3365.0000 -46.13407 -44.06830 2.06577 2.08733 -43.62039 768.96761
3370.0000 -45.29521 -43.08273 2.21248 2.13416 -43.27539 850.64261
3375.0000 -45.63139 -44.00468 1.62671 2.10755 -43.47140 796.37626
3380.0000 -45.58176 -43.33814 2.24362 2.06153 -43.81053 768.50729
3385.0000 -45.86497 -43.34717 2.51779 2.15710 -43.10638 878.82875
3390.0000 -45.83430 -43.40217 2.43213 2.07254 -43.72943 775.15123
3395.0000 -45.74439 -43.26050 2.48389 2.09992 -43.52769 843.65046
3400.0000 -45.57178 -42.96431 2.60746 2.11647 -43.40568 833.89099
3405.0000 -45.70901 -43.85126 1.85775 2.18454 -42.90416 899.69514
3410.0000 -44.82508 -43.28384 1.54123 2.11155 -43.44194 844.38662
3415.0000 -45.52678 -43.27819 2.24859 2.15069 -43.15361 805.93181
3420.0000 -45.46804 -43.33084 2.13719 2.09530 -43.56170 849.72569
3425.0000 -45.70741 -43.14532 2.56210 2.15412 -43.12833 927.20698
3430.0000 -44.85161 -43.01571 1.83590 2.17190 -42.99733 899.45086
3435.0000 -44.56816 -42.49401 2.07415 2.22777 -42.58569 993.16994
3440.0000 -44.85149 -43.27261 1.57888 2.19801 -42.80489 926.05874
3445.0000 -46.15903 -44.08863 2.07040 2.10987 -43.45432 824.96214
3450.0000 -45.46672 -44.06706 1.39966 2.06039 -43.81893 745.15649
3455.0000 -45.35374 -43.82950 1.52424 2.07094 -43.74120 754.44982
3460.0000 -45.84814 -44.46337 1.38477 2.05619 -43.84985 728.41691
3465.0000 -45.48140 -43.48881 1.99259 2.03411 -44.01257 677.65331
3470.0000 -44.72962 -41.87310 2.85652 2.17992 -42.93818 901.14976
3475.0000 -45.14419 -43.37907 1.76512 2.27930 -42.20598 984.21065
3480.0000 -44.72833 -41.92356 2.80477 2.24770 -42.43883 945.05463
3485.0000 -45.01559 -42.51882 2.49677 2.20745 -42.73538 940.53110
3490.0000 -44.77605 -42.57384 2.20221 2.24759 -42.43964 891.74767
3495.0000 -45.34452 -43.35547 1.98905 2.19658 -42.81549 893.30418
3500.0000 -44.74772 -42.50270 2.24503 2.22580 -42.60018 921.77180
FREEZING PROCESS: loop number 15 T-loop= 825.00000000000000
main_MD> interactions number 15 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81016 -0.84473 1.33112
force_rgl> df(natom) 1.47771 -4.27000 2.35071
3505.0000 -46.31656 -42.96158 3.35498 2.16285 -43.06398 873.82367
3510.0000 -44.84789 -42.80969 2.03820 2.14813 -43.17245 892.90619
3515.0000 -44.93969 -43.33083 1.60887 2.19693 -42.81292 954.21725
3520.0000 -46.00914 -44.27720 1.73194 2.07721 -43.69498 794.28622
3525.0000 -45.26697 -43.10337 2.16359 2.05005 -43.89508 761.17808
3530.0000 -45.37626 -43.33213 2.04413 2.15492 -43.12239 905.96942
3535.0000 -45.65855 -43.77686 1.88169 2.06702 -43.77010 776.01310
3540.0000 -45.83132 -43.52761 2.30370 2.10398 -43.49774 817.66812
3545.0000 -45.67161 -43.35399 2.31762 2.11942 -43.38400 788.73963
3550.0000 -45.20497 -43.92723 1.27774 2.09447 -43.56779 802.79909
3555.0000 -45.39856 -43.64510 1.75346 2.04112 -43.96094 731.90765
3560.0000 -45.47204 -42.82022 2.65182 2.15697 -43.10733 854.67011
3565.0000 -45.62855 -43.47855 2.15001 2.20402 -42.76065 927.70967
3570.0000 -46.21960 -43.48765 2.73194 2.11207 -43.43816 827.97283
3575.0000 -44.49672 -42.07332 2.42340 2.22031 -42.64061 956.17485
3580.0000 -44.26214 -41.19820 3.06394 2.35684 -41.63467 1103.12777
3585.0000 -43.87071 -41.82509 2.04562 2.44502 -40.98497 1145.68948
3590.0000 -44.93173 -41.95760 2.97413 2.27621 -42.22876 942.69807
3595.0000 -46.09380 -44.25718 1.83663 2.14447 -43.19939 854.00053
3600.0000 -46.61607 -44.92777 1.68830 2.00674 -44.21423 707.44425
3605.0000 -45.59952 -43.43717 2.16235 1.96829 -44.49753 717.61463
3610.0000 -45.83569 -43.57165 2.26404 2.11612 -43.40827 834.13819
3615.0000 -45.23951 -42.92601 2.31350 2.12326 -43.35565 834.49284
3620.0000 -44.74760 -42.27496 2.47263 2.23888 -42.50383 1010.20454
3625.0000 -44.77759 -41.60456 3.17303 2.34263 -41.73932 1106.66113
3630.0000 -45.22691 -42.74535 2.48156 2.29778 -42.06982 1051.47278
3635.0000 -44.77649 -43.61453 1.16196 2.18197 -42.92313 859.52053
3640.0000 -45.64897 -43.84307 1.80590 2.07975 -43.67628 755.04898
3645.0000 -45.29226 -43.16824 2.12403 2.05500 -43.85864 757.35885
3650.0000 -45.38565 -42.93333 2.45231 2.20277 -42.76982 901.92277
3655.0000 -44.83906 -42.42355 2.41551 2.23089 -42.56265 911.52981
3660.0000 -44.97852 -42.37614 2.60238 2.21874 -42.65217 908.78702
3665.0000 -45.45601 -43.63481 1.82120 2.20988 -42.71746 888.63052
3670.0000 -44.52310 -42.46856 2.05454 2.13465 -43.27173 828.06596
3675.0000 -45.05159 -42.91177 2.13982 2.22234 -42.62563 903.08904
3680.0000 -45.12435 -42.04775 3.07660 2.21123 -42.70748 925.90184
3685.0000 -45.77341 -43.31650 2.45692 2.19779 -42.80651 933.43924
3690.0000 -45.63899 -43.04253 2.59646 2.16265 -43.06549 897.27882
3695.0000 -45.39503 -43.01520 2.37983 2.16098 -43.07777 809.49350
3700.0000 -45.43221 -43.32258 2.10962 2.19034 -42.86141 863.78283
3705.0000 -45.70506 -43.57976 2.12531 2.07749 -43.69293 754.48595
3710.0000 -45.80320 -43.71707 2.08613 2.08493 -43.63812 807.20372
3715.0000 -46.07421 -44.04476 2.02945 2.06216 -43.80585 749.83226
3720.0000 -45.82716 -44.08647 1.74069 2.05822 -43.83490 782.58200
3725.0000 -46.04129 -43.99511 2.04618 2.07216 -43.73219 728.46055
3730.0000 -45.16943 -43.19458 1.97485 2.14922 -43.16442 864.54908
3735.0000 -46.06968 -44.03174 2.03793 2.14523 -43.19378 850.96306
3740.0000 -45.17264 -43.41713 1.75551 2.09943 -43.53124 811.41605
3745.0000 -45.65372 -43.80977 1.84395 2.06853 -43.75892 787.12622
3750.0000 -44.99756 -43.40194 1.59562 2.05008 -43.89492 734.25060
FREEZING PROCESS: loop number 16 T-loop= 800.00000000000000
main_MD> interactions number 16 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.02028 -1.08804 1.53955
force_rgl> df(natom) 8.75923 -2.16375 2.89717
3755.0000 -44.99646 -41.85796 3.13850 2.19807 -42.80450 892.04850
3760.0000 -45.50818 -42.95741 2.55077 2.30516 -42.01543 1000.72349
3765.0000 -45.94980 -43.91622 2.03359 2.10264 -43.50758 805.72280
3770.0000 -45.04997 -43.51430 1.53566 2.08894 -43.60856 821.26610
3775.0000 -44.70704 -43.01024 1.69680 2.16801 -43.02600 887.13210
3780.0000 -45.43051 -43.20777 2.22274 2.11791 -43.39508 863.86657
3785.0000 -45.16580 -43.59299 1.57281 2.14528 -43.19342 850.75881
3790.0000 -45.74491 -43.35518 2.38973 2.13823 -43.24539 857.54603
3795.0000 -46.05172 -43.35721 2.69451 2.12819 -43.31934 841.94464
3800.0000 -45.88736 -44.13606 1.75130 2.08042 -43.67134 790.25286
3805.0000 -45.86021 -43.42255 2.43766 2.06804 -43.76256 811.25530
3810.0000 -44.89188 -43.23709 1.65480 2.14075 -43.22681 795.11814
3815.0000 -46.15430 -44.26528 1.88902 2.13394 -43.27697 751.80765
3820.0000 -45.76770 -44.09989 1.66781 2.03522 -44.00437 711.44632
3825.0000 -45.69284 -43.31519 2.37766 2.08756 -43.61876 746.31652
3830.0000 -45.92890 -43.87220 2.05670 2.07299 -43.72609 786.14533
3835.0000 -45.51815 -43.36456 2.15358 2.07358 -43.72171 763.18107
3840.0000 -46.04026 -43.80663 2.23363 2.11758 -43.39757 825.29150
3845.0000 -45.84480 -43.54410 2.30070 2.03262 -44.02352 781.30724
3850.0000 -45.21597 -42.77229 2.44368 2.19846 -42.80159 959.25540
3855.0000 -45.54561 -42.62982 2.91579 2.19897 -42.79783 948.97194
3860.0000 -45.91284 -43.88779 2.02505 2.18006 -42.93718 930.15569
3865.0000 -45.31634 -42.75136 2.56498 2.19301 -42.84180 963.50355
3870.0000 -45.08911 -43.46743 1.62167 2.05084 -43.88927 753.53250
3875.0000 -45.59236 -42.74090 2.85145 2.12740 -43.32517 787.09480
3880.0000 -44.96228 -42.80794 2.15434 2.17523 -42.97279 829.34001
3885.0000 -44.68929 -42.50360 2.18570 2.20703 -42.73845 908.02837
3890.0000 -45.91073 -43.10124 2.80949 2.18652 -42.88957 939.86410
3895.0000 -45.33069 -43.36325 1.96744 2.12539 -43.33997 851.66705
3900.0000 -46.59214 -44.42252 2.16962 2.03534 -44.00349 772.27974
3905.0000 -46.41960 -44.23727 2.18233 1.99661 -44.28888 753.40421
3910.0000 -46.14849 -44.70962 1.43887 1.92660 -44.80469 665.88373
3915.0000 -46.27045 -44.61877 1.65168 1.95419 -44.60139 664.18438
3920.0000 -45.79597 -42.63592 3.16005 2.10665 -43.47807 826.80574
3925.0000 -44.94569 -42.15570 2.78999 2.23463 -42.53511 916.30693
3930.0000 -46.20283 -44.59322 1.60961 2.12846 -43.31737 840.28806
3935.0000 -45.94574 -44.51384 1.43190 1.95047 -44.62884 677.52511
3940.0000 -46.05826 -43.43981 2.61845 1.98194 -44.39694 720.17397
3945.0000 -45.82190 -43.90775 1.91416 2.16273 -43.06488 942.55518
3950.0000 -45.02595 -42.74232 2.28363 2.14206 -43.21717 838.50263
3955.0000 -45.45564 -42.78327 2.67237 2.18594 -42.89388 902.54243
3960.0000 -45.09977 -43.15873 1.94104 2.16183 -43.07147 840.83910
3965.0000 -44.78132 -41.36283 3.41850 2.29420 -42.09618 990.01462
3970.0000 -44.46330 -42.50685 1.95645 2.30438 -42.02116 1087.38549
3975.0000 -44.35242 -42.45546 1.89696 2.21994 -42.64332 895.71130
3980.0000 -45.43455 -43.38029 2.05426 2.14373 -43.20489 829.61201
3985.0000 -45.47196 -43.67975 1.79220 2.12212 -43.36411 855.81791
3990.0000 -46.18907 -43.13004 3.05903 2.08385 -43.64606 834.51877
3995.0000 -46.00094 -43.80542 2.19551 2.10985 -43.45451 852.29063
4000.0000 -44.90472 -43.32127 1.58345 2.07195 -43.73378 734.73833
FREEZING PROCESS: loop number 17 T-loop= 775.00000000000000
main_MD> interactions number 17 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55614 -1.85264 -2.91903
force_rgl> df(natom) -0.61942 2.04962 -1.75645
4005.0000 -45.74038 -44.16238 1.57800 2.05505 -43.85828 733.28198
4010.0000 -44.74124 -42.92128 1.81996 2.08494 -43.63800 741.79367
4015.0000 -45.72750 -42.40024 3.32726 2.23723 -42.51593 949.44201
4020.0000 -44.72240 -42.63713 2.08528 2.28606 -42.15613 980.65249
4025.0000 -44.58869 -42.51108 2.07761 2.21668 -42.66734 960.47301
4030.0000 -45.80014 -43.45663 2.34351 2.25097 -42.41473 993.52080
4035.0000 -45.55909 -43.32449 2.23461 2.12240 -43.36201 831.25514
4040.0000 -45.41265 -43.64884 1.76381 2.05944 -43.82593 796.78518
4045.0000 -46.02911 -44.34696 1.68214 2.03426 -44.01148 724.39166
4050.0000 -45.78160 -43.44995 2.33165 2.06447 -43.78885 752.59078
4055.0000 -46.18596 -44.16020 2.02576 2.05016 -43.89428 736.91991
4060.0000 -46.21190 -44.27914 1.93275 2.02126 -44.10721 781.17383
4065.0000 -45.78066 -44.30112 1.47954 1.97876 -44.42038 640.29572
4070.0000 -45.70531 -43.78265 1.92266 2.07000 -43.74808 805.64070
4075.0000 -45.85094 -43.89486 1.95608 2.07474 -43.71322 765.26402
4080.0000 -46.44823 -43.99202 2.45621 2.08714 -43.62183 799.98162
4085.0000 -45.54848 -43.55253 1.99595 2.05582 -43.85256 733.17902
4090.0000 -45.86476 -43.83402 2.03074 2.01580 -44.14747 666.83419
4095.0000 -46.53765 -44.77323 1.76442 1.97939 -44.41571 701.77581
4100.0000 -46.63310 -44.44005 2.19305 1.95179 -44.61912 687.90498
4105.0000 -46.55632 -44.67078 1.88554 1.96778 -44.50129 699.03037
4110.0000 -46.05795 -44.13952 1.91843 2.03555 -44.00190 846.52600
4115.0000 -46.02426 -44.27628 1.74799 2.00999 -44.19028 767.54856
4120.0000 -46.52063 -44.42601 2.09461 1.96103 -44.55104 628.97835
4125.0000 -45.31526 -43.50177 1.81349 2.05186 -43.88174 727.39609
4130.0000 -45.02556 -43.55930 1.46626 2.03664 -43.99394 739.56465
4135.0000 -45.14558 -43.43508 1.71051 2.13828 -43.24498 797.83612
4140.0000 -45.87873 -43.70282 2.17591 2.04442 -43.93655 780.41882
4145.0000 -45.92625 -43.45613 2.47012 2.07758 -43.69225 800.05215
4150.0000 -46.13395 -43.67302 2.46093 2.01812 -44.13039 724.36014
4155.0000 -45.68119 -43.44227 2.23892 2.10959 -43.45644 830.54715
4160.0000 -45.13792 -43.49865 1.63927 2.17008 -43.01068 850.22320
4165.0000 -45.84888 -44.34223 1.50665 2.08333 -43.64989 766.93759
4170.0000 -45.99065 -43.48960 2.50106 2.06676 -43.77197 755.39990
4175.0000 -45.67930 -43.63780 2.04150 2.09716 -43.54802 790.89273
4180.0000 -45.07749 -43.26612 1.81137 2.16132 -43.07529 898.18142
4185.0000 -45.61706 -44.02527 1.59179 2.07769 -43.69142 730.00160
4190.0000 -45.52231 -43.63163 1.89068 2.10768 -43.47045 845.01080
4195.0000 -45.09394 -42.69556 2.39838 2.11822 -43.39285 803.84746
4200.0000 -44.96236 -43.30272 1.65964 2.16193 -43.07074 842.64857
4205.0000 -45.76929 -43.76875 2.00055 2.07982 -43.67579 752.51501
4210.0000 -46.10711 -43.50570 2.60142 2.20022 -42.78866 909.69223
4215.0000 -45.77345 -43.77614 1.99731 2.03753 -43.98736 702.90212
4220.0000 -46.19156 -44.84838 1.34319 2.03623 -43.99692 705.03417
4225.0000 -44.92284 -43.18832 1.73452 2.05561 -43.85413 772.93097
4230.0000 -45.14298 -43.36815 1.77482 2.12714 -43.32710 779.79334
4235.0000 -45.82071 -43.73065 2.09006 2.08817 -43.61423 767.30922
4240.0000 -46.29110 -44.32040 1.97070 2.02352 -44.09061 739.71272
4245.0000 -45.22856 -42.88827 2.34029 2.10036 -43.52439 765.49147
4250.0000 -44.89451 -42.69371 2.20080 2.22233 -42.62570 961.95291
FREEZING PROCESS: loop number 18 T-loop= 750.00000000000000
main_MD> interactions number 18 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10175 -0.26467 0.29411
force_rgl> df(natom) 4.63770 -1.53835 2.89908
4255.0000 -46.23347 -43.59183 2.64164 2.11669 -43.40408 879.18674
4260.0000 -46.21957 -44.54777 1.67180 2.04430 -43.93750 757.62404
4265.0000 -46.38974 -44.73928 1.65046 1.96022 -44.55699 666.07310
4270.0000 -46.52895 -45.06543 1.46353 1.94115 -44.69748 671.77559
4275.0000 -46.30548 -44.67517 1.63031 1.92454 -44.81986 592.75307
4280.0000 -47.12072 -45.03783 2.08290 1.94628 -44.65971 666.16191
4285.0000 -46.35931 -44.72748 1.63182 1.93507 -44.74228 612.65993
4290.0000 -45.33023 -44.06365 1.26658 1.97829 -44.42387 625.88971
4295.0000 -45.06242 -43.00486 2.05756 2.06603 -43.77739 712.10052
4300.0000 -45.72636 -43.65087 2.07549 2.15620 -43.11295 865.97523
4305.0000 -46.15888 -44.18929 1.96959 2.04659 -43.92058 798.43850
4310.0000 -46.17975 -44.61982 1.55993 2.01192 -44.17606 702.53612
4315.0000 -45.70453 -44.40876 1.29577 1.98334 -44.38664 664.82684
4320.0000 -45.78321 -44.18885 1.59436 2.02087 -44.11010 694.15148
4325.0000 -46.11863 -43.71072 2.40790 2.02898 -44.05038 695.12998
4330.0000 -45.53607 -43.32253 2.21354 2.10015 -43.52599 821.55188
4335.0000 -46.49295 -43.98159 2.51136 2.07462 -43.71408 751.30227
4340.0000 -45.26522 -42.57967 2.68554 2.14703 -43.18054 881.46316
4345.0000 -45.82285 -44.08311 1.73974 2.12575 -43.33737 850.04401
4350.0000 -46.06784 -44.03909 2.02876 2.00811 -44.20413 801.84812
4355.0000 -45.81872 -43.82011 1.99861 2.01627 -44.14399 760.93459
4360.0000 -45.78525 -43.79889 1.98636 2.08380 -43.64643 803.07547
4365.0000 -45.91956 -43.19912 2.72044 2.04309 -43.94638 731.83487
4370.0000 -45.95695 -43.84138 2.11557 2.09151 -43.58964 772.03516
4375.0000 -45.89825 -43.47481 2.42343 2.07288 -43.72691 785.49795
4380.0000 -46.06986 -43.90727 2.16259 2.04852 -43.90635 793.58443
4385.0000 -45.51143 -44.30508 1.20635 2.03607 -43.99813 779.80316
4390.0000 -46.12231 -44.58114 1.54117 1.96252 -44.54001 649.31627
4395.0000 -46.22882 -45.01117 1.21765 1.97972 -44.41329 676.34158
4400.0000 -45.72880 -44.15812 1.57068 1.96740 -44.50408 724.17369
4405.0000 -46.54170 -44.40303 2.13867 1.99752 -44.28217 729.41086
4410.0000 -46.06581 -44.19365 1.87216 2.02232 -44.09941 707.12284
4415.0000 -46.33039 -44.02604 2.30435 2.02525 -44.07779 667.40987
4420.0000 -44.82602 -42.71661 2.10940 2.12171 -43.36713 847.91530
4425.0000 -45.75253 -43.65534 2.09720 2.17053 -43.00739 878.32392
4430.0000 -46.04609 -44.17536 1.87073 2.06885 -43.75660 771.36484
4435.0000 -46.28937 -44.47385 1.81552 1.99938 -44.26842 733.39642
4440.0000 -45.60624 -43.72444 1.88179 2.06286 -43.80068 820.47968
4445.0000 -45.70990 -44.32773 1.38217 2.04706 -43.91714 761.15917
4450.0000 -45.32586 -43.11160 2.21426 2.09603 -43.55633 762.49634
4455.0000 -45.51257 -43.84927 1.66330 2.09146 -43.59002 774.84235
4460.0000 -45.82240 -43.18706 2.63534 2.11576 -43.41093 782.45871
4465.0000 -46.10529 -43.79543 2.30986 2.13187 -43.29223 834.18715
4470.0000 -45.32917 -42.88535 2.44382 2.17020 -43.00983 838.23139
4475.0000 -46.05377 -43.78420 2.26956 2.12158 -43.36807 851.91467
4480.0000 -46.19577 -44.32164 1.87413 2.01841 -44.12825 684.09830
4485.0000 -45.47251 -43.84719 1.62531 2.02621 -44.07073 691.21473
4490.0000 -45.72990 -43.38064 2.34926 2.15262 -43.13934 903.59831
4495.0000 -45.84169 -43.54226 2.29942 2.10638 -43.48006 803.70203
4500.0000 -46.06542 -44.02755 2.03788 2.03154 -44.03148 719.85741
FREEZING PROCESS: loop number 19 T-loop= 725.00000000000000
main_MD> interactions number 19 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90702 -2.09764 -1.77625
force_rgl> df(natom) 3.78132 1.56715 0.78101
4505.0000 -46.06988 -43.79886 2.27102 2.03631 -43.99633 751.05118
4510.0000 -45.87552 -44.27435 1.60118 2.04429 -43.93755 744.26565
4515.0000 -45.51740 -43.42809 2.08931 1.99435 -44.30553 665.43311
4520.0000 -45.72509 -44.01734 1.70775 2.04514 -43.93129 759.77484
4525.0000 -46.66704 -45.19790 1.46915 1.97635 -44.43814 684.16479
4530.0000 -46.93987 -45.55791 1.38196 1.83481 -45.48097 535.06289
4535.0000 -46.90964 -45.27839 1.63126 1.80945 -45.66787 507.31257
4540.0000 -46.99970 -45.27035 1.72935 1.90115 -44.99218 644.39591
4545.0000 -46.08321 -44.53647 1.54674 1.89120 -45.06551 577.78751
4550.0000 -46.69753 -44.89827 1.79926 1.93793 -44.72119 632.85041
4555.0000 -45.82744 -44.13677 1.69067 1.96269 -44.53878 650.84684
4560.0000 -45.54990 -44.03751 1.51239 2.07630 -43.70168 773.85022
4565.0000 -46.11114 -44.32271 1.78843 2.01935 -44.12130 758.91996
4570.0000 -45.49893 -43.83604 1.66289 2.07017 -43.74685 800.05681
4575.0000 -45.97332 -43.78243 2.19088 2.07533 -43.70883 780.60491
4580.0000 -46.11846 -44.04561 2.07286 2.00285 -44.24289 710.52183
4585.0000 -45.70219 -44.18447 1.51773 2.05957 -43.82497 755.53968
4590.0000 -46.00065 -44.53684 1.46381 1.93713 -44.72713 612.94155
4595.0000 -45.94946 -44.50197 1.44749 1.96172 -44.54590 648.15558
4600.0000 -46.26192 -44.11075 2.15117 1.95487 -44.59643 638.22377
4605.0000 -46.22708 -44.76152 1.46556 1.96313 -44.53552 662.56474
4610.0000 -46.66510 -44.74980 1.91530 1.94559 -44.66475 705.94972
4615.0000 -46.23303 -44.40604 1.82699 1.97394 -44.45591 709.94872
4620.0000 -45.73994 -44.54763 1.19231 2.00241 -44.24613 752.07712
4625.0000 -46.25641 -44.71734 1.53907 1.97167 -44.47262 676.65890
4630.0000 -45.52968 -43.85759 1.67209 1.98519 -44.37302 668.71438
4635.0000 -46.32864 -44.75152 1.57713 2.05236 -43.87811 773.60083
4640.0000 -46.54333 -44.83809 1.70523 1.94260 -44.68683 679.85952
4645.0000 -45.25745 -43.58873 1.66871 1.98754 -44.35571 738.06285
4650.0000 -46.00256 -43.93091 2.07164 2.07330 -43.72379 746.54828
4655.0000 -45.73362 -43.85595 1.87767 2.09709 -43.54851 810.70210
4660.0000 -45.28132 -43.63915 1.64217 2.04669 -43.91984 701.06777
4665.0000 -46.78187 -44.62647 2.15540 2.01437 -44.15802 698.16025
4670.0000 -45.58377 -43.60229 1.98147 1.95127 -44.62289 592.31193
4675.0000 -46.13681 -44.79458 1.34223 2.02442 -44.08393 718.10771
4680.0000 -46.00667 -44.40070 1.60596 1.97840 -44.42303 669.30668
4685.0000 -46.35351 -44.49368 1.85983 1.96523 -44.52003 682.95460
4690.0000 -45.81622 -44.20871 1.60751 2.01656 -44.14189 731.50239
4695.0000 -46.44290 -44.75222 1.69068 1.99337 -44.31273 693.21634
4700.0000 -45.88305 -44.27831 1.60474 2.00671 -44.21442 686.73929
4705.0000 -46.20951 -43.96909 2.24042 1.98966 -44.34003 744.52479
4710.0000 -46.70757 -44.70809 1.99948 1.99868 -44.27363 717.38005
4715.0000 -45.58853 -44.20671 1.38182 2.01633 -44.14359 761.55756
4720.0000 -46.72166 -44.74265 1.97901 1.91702 -44.87525 640.80546
4725.0000 -46.26061 -44.42260 1.83800 1.96389 -44.52992 681.82207
4730.0000 -45.93425 -44.25964 1.67461 2.03786 -43.98489 764.39443
4735.0000 -45.83106 -42.84140 2.98966 2.06507 -43.78442 757.73617
4740.0000 -45.86547 -43.72587 2.13960 2.19008 -42.86334 887.64229
4745.0000 -45.38225 -43.92517 1.45707 2.03937 -43.97382 732.49552
4750.0000 -45.29530 -43.28927 2.00603 2.14427 -43.20090 827.78555
FREEZING PROCESS: loop number 20 T-loop= 700.00000000000000
main_MD> interactions number 20 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44224 0.84266 -2.21751
force_rgl> df(natom) -0.48398 0.02716 0.48920
4755.0000 -46.11960 -44.35563 1.76397 2.04173 -43.95642 683.34459
4760.0000 -46.15485 -44.25486 1.89999 1.99268 -44.31784 687.50356
4765.0000 -46.39493 -43.98703 2.40789 2.04197 -43.95465 738.60252
4770.0000 -45.41282 -43.50100 1.91182 2.01429 -44.15858 725.03978
4775.0000 -46.20027 -43.93946 2.26081 2.07656 -43.69976 830.80299
4780.0000 -46.15546 -43.93337 2.22208 2.03590 -43.99933 765.56157
4785.0000 -45.49141 -43.77997 1.71144 2.08443 -43.64182 821.18902
4790.0000 -47.13673 -45.61691 1.51982 1.95018 -44.63092 670.19531
4795.0000 -46.87945 -44.93939 1.94006 1.86056 -45.29128 589.89890
4800.0000 -45.98056 -44.32833 1.65223 1.92190 -44.83936 677.52336
4805.0000 -45.73251 -44.06633 1.66618 2.02340 -44.09146 780.36746
4810.0000 -45.67005 -44.08761 1.58244 1.98582 -44.36832 641.59594
4815.0000 -45.53281 -43.78387 1.74894 2.04140 -43.95886 615.59177
4820.0000 -45.78268 -43.30576 2.47692 2.11275 -43.43312 777.31376
4825.0000 -46.10827 -43.88758 2.22069 2.08009 -43.67374 780.29745
4830.0000 -45.89183 -44.06943 1.82240 2.04351 -43.94332 720.62237
4835.0000 -46.18249 -44.85642 1.32607 1.96279 -44.53805 606.45480
4840.0000 -46.24191 -44.39159 1.85033 1.94406 -44.67602 642.51450
4845.0000 -45.84381 -44.18901 1.65480 1.96572 -44.51648 710.00011
4850.0000 -46.84650 -44.81599 2.03051 1.97985 -44.41238 764.38936
4855.0000 -47.04259 -45.02764 2.01495 1.85475 -45.33405 603.56458
4860.0000 -46.24493 -44.41236 1.83257 1.96887 -44.49325 648.53099
4865.0000 -46.17329 -44.54619 1.62710 1.96170 -44.54605 669.13145
4870.0000 -46.66773 -44.36825 2.29948 1.98147 -44.40039 703.62991
4875.0000 -46.08595 -43.83583 2.25012 2.05475 -43.86051 785.61979
4880.0000 -45.89810 -44.46325 1.43485 2.00928 -44.19550 773.32559
4885.0000 -46.65664 -45.07627 1.58037 1.89407 -45.04434 597.18696
4890.0000 -46.22692 -44.59618 1.63074 1.94769 -44.64928 602.13103
4895.0000 -46.51957 -44.89432 1.62525 1.96008 -44.55799 635.83313
4900.0000 -46.73766 -45.44146 1.29621 1.87468 -45.18725 567.17706
4905.0000 -46.52449 -44.47672 2.04777 1.92339 -44.82835 677.63830
4910.0000 -46.26921 -45.11615 1.15306 1.89345 -45.04892 639.57842
4915.0000 -46.20188 -45.01789 1.18398 1.89723 -45.02107 631.77056
4920.0000 -46.26858 -44.51829 1.75030 1.93055 -44.77561 616.94885
4925.0000 -46.56429 -44.91267 1.65162 1.92171 -44.84073 553.28625
4930.0000 -46.32708 -44.66456 1.66252 1.92331 -44.82893 641.74126
4935.0000 -46.45293 -44.72368 1.72925 1.93205 -44.76452 628.58348
4940.0000 -45.87686 -44.08761 1.78925 2.04773 -43.91220 771.60221
4945.0000 -45.05618 -43.50604 1.55014 2.12300 -43.35760 794.24701
4950.0000 -46.26587 -44.25038 2.01549 2.04687 -43.91857 702.29201
4955.0000 -46.20893 -44.69377 1.51515 1.95358 -44.60592 630.70323
4960.0000 -46.33480 -44.68850 1.64630 1.96801 -44.49961 701.67104
4965.0000 -45.96237 -44.50581 1.45656 2.00086 -44.25752 683.09556
4970.0000 -45.58768 -43.93399 1.65369 2.01233 -44.17300 670.24458
4975.0000 -46.65472 -45.10117 1.55355 1.97432 -44.45307 699.84972
4980.0000 -45.71618 -44.41572 1.30046 1.96385 -44.53025 652.77039
4985.0000 -45.85853 -44.62525 1.23328 1.97605 -44.44034 691.17468
4990.0000 -46.40535 -44.27757 2.12778 1.99941 -44.26821 686.71068
4995.0000 -47.04436 -45.76636 1.27800 1.88110 -45.13994 624.00928
5000.0000 -46.19349 -44.80220 1.39129 1.86281 -45.27471 574.26054
FREEZING PROCESS: loop number 21 T-loop= 675.00000000000000
main_MD> interactions number 21 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10437 -2.36308 -2.42351
force_rgl> df(natom) -1.58064 0.24800 1.20336
5005.0000 -45.86297 -44.10942 1.75355 1.99975 -44.26570 688.01094
5010.0000 -45.99670 -44.83429 1.16242 1.95197 -44.61773 615.30956
5015.0000 -45.59605 -43.92647 1.66958 1.97320 -44.46131 673.82131
5020.0000 -46.07957 -44.46070 1.61886 2.04156 -43.95769 758.60080
5025.0000 -46.76316 -45.07252 1.69064 1.90440 -44.96824 549.88085
5030.0000 -46.80007 -44.88818 1.91189 1.91028 -44.92497 670.02560
5035.0000 -46.87736 -45.32022 1.55714 1.86975 -45.22357 607.22559
5040.0000 -46.39942 -44.33745 2.06196 1.92303 -44.83098 646.88587
5045.0000 -46.01959 -44.34669 1.67289 1.97087 -44.47852 673.53152
5050.0000 -46.75242 -45.70691 1.04551 1.88651 -45.10009 584.86061
5055.0000 -46.91024 -45.46027 1.44997 1.85588 -45.32574 572.80582
5060.0000 -46.02003 -44.45681 1.56322 1.92405 -44.82349 657.84270
5065.0000 -45.57212 -43.88700 1.68512 2.03355 -44.01667 743.68321
5070.0000 -46.46232 -44.55846 1.90386 2.02365 -44.08962 679.06442
5075.0000 -45.95513 -44.12044 1.83468 1.97549 -44.44445 719.46474
5080.0000 -46.42973 -44.82646 1.60327 1.98161 -44.39936 697.36610
5085.0000 -46.78383 -44.96521 1.81861 1.92548 -44.81292 646.34261
5090.0000 -46.45325 -44.32520 2.12805 1.95421 -44.60125 692.02690
5095.0000 -46.09746 -44.20623 1.89123 2.01894 -44.12434 700.93975
5100.0000 -45.64076 -44.02552 1.61524 1.99639 -44.29044 702.26305
5105.0000 -46.09408 -44.47356 1.62052 2.05590 -43.85199 710.32871
5110.0000 -46.36239 -44.98741 1.37498 1.87173 -45.20900 555.94352
5115.0000 -46.36270 -44.51142 1.85127 1.92179 -44.84011 631.37907
5120.0000 -46.74775 -45.03628 1.71147 1.91451 -44.89380 632.49928
5125.0000 -45.79633 -43.68835 2.10798 1.95374 -44.60476 639.51805
5130.0000 -45.31477 -42.86641 2.44836 2.09179 -43.58755 749.69761
5135.0000 -45.88090 -44.09132 1.78957 2.09116 -43.59218 766.26261
5140.0000 -46.09033 -44.41549 1.67484 1.99457 -44.30392 683.81962
5145.0000 -46.17117 -44.51360 1.65757 1.96287 -44.53745 618.46859
5150.0000 -46.43469 -44.61455 1.82014 1.93537 -44.74007 603.28334
5155.0000 -46.10618 -44.82813 1.27805 1.92031 -44.85103 671.78976
5160.0000 -45.90862 -44.24172 1.66690 1.92252 -44.83476 620.17493
5165.0000 -46.49643 -44.62405 1.87238 1.91134 -44.91709 616.89496
5170.0000 -45.41110 -43.69984 1.71126 1.99838 -44.27582 693.93022
5175.0000 -45.85561 -44.02944 1.82617 2.03876 -43.97827 737.53800
5180.0000 -46.60362 -44.71983 1.88379 1.98058 -44.40697 661.40236
5185.0000 -45.84238 -43.99753 1.84486 1.97587 -44.44167 682.32740
5190.0000 -46.41008 -44.99324 1.41684 1.93869 -44.71558 614.28039
5195.0000 -46.61762 -45.36432 1.25330 1.83739 -45.46197 520.44086
5200.0000 -45.80485 -43.94919 1.85566 1.91799 -44.86812 587.47606
5205.0000 -46.26121 -44.38001 1.88120 1.96648 -44.51088 648.68995
5210.0000 -45.19272 -43.72582 1.46690 2.05399 -43.86608 749.73269
5215.0000 -45.96740 -44.50369 1.46371 1.99970 -44.26611 684.21228
5220.0000 -45.83305 -43.73665 2.09640 2.01562 -44.14878 686.00333
5225.0000 -46.34998 -44.13209 2.21789 2.03306 -44.02032 694.31301
5230.0000 -45.36832 -44.22105 1.14727 1.99183 -44.32406 726.58887
5235.0000 -45.71279 -44.09682 1.61597 2.09328 -43.57659 782.47300
5240.0000 -45.90583 -43.97313 1.93271 2.08260 -43.65530 761.12261
5245.0000 -46.40230 -44.84072 1.56158 1.91390 -44.89830 591.67070
5250.0000 -46.07088 -44.36446 1.70642 1.94664 -44.65706 638.47210
FREEZING PROCESS: loop number 22 T-loop= 650.00000000000000
main_MD> interactions number 22 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74062 2.75941 5.40704
force_rgl> df(natom) 1.59867 -4.28105 2.41758
5255.0000 -45.95360 -44.24542 1.70818 1.98842 -44.34923 670.17262
5260.0000 -46.61078 -45.42565 1.18513 1.90145 -44.98998 556.89308
5265.0000 -46.08304 -44.83847 1.24457 1.86142 -45.28493 521.83610
5270.0000 -46.98683 -45.28161 1.70522 1.89729 -45.02066 616.51753
5275.0000 -46.81029 -45.14606 1.66423 1.88425 -45.11674 561.41844
5280.0000 -46.48183 -45.15669 1.32514 1.90534 -44.96136 574.64130
5285.0000 -45.77575 -44.50395 1.27180 1.92783 -44.79560 574.55896
5290.0000 -46.13164 -44.30912 1.82252 1.97214 -44.46917 620.78598
5295.0000 -46.25325 -44.53906 1.71419 1.99002 -44.33741 653.38785
5300.0000 -46.13933 -45.05025 1.08908 1.91396 -44.89779 616.75448
5305.0000 -46.41771 -45.21398 1.20373 1.88134 -45.13819 588.80791
5310.0000 -46.67244 -45.13029 1.54215 1.86534 -45.25607 517.55835
5315.0000 -46.33401 -44.80122 1.53279 1.88802 -45.08897 564.16905
5320.0000 -46.31039 -44.55551 1.75487 1.89765 -45.01797 585.31088
5325.0000 -46.35597 -45.11388 1.24209 1.90315 -44.97744 596.68434
5330.0000 -45.82349 -44.20799 1.61550 1.97040 -44.48196 630.46583
5335.0000 -46.67581 -44.67126 2.00455 1.98385 -44.38288 721.60153
5340.0000 -46.72651 -44.71178 2.01473 1.91590 -44.88355 645.78970
5345.0000 -46.19558 -44.44294 1.75264 1.94045 -44.70267 632.69935
5350.0000 -45.60786 -43.79396 1.81390 2.08127 -43.66510 793.53154
5355.0000 -46.07140 -44.36513 1.70627 2.00916 -44.19640 724.22660
5360.0000 -46.11965 -44.62445 1.49520 1.98713 -44.35873 659.33911
5365.0000 -46.28124 -43.72497 2.55627 1.98445 -44.37845 651.11563
5370.0000 -46.90404 -45.04852 1.85553 1.96463 -44.52449 625.34179
5375.0000 -45.96665 -44.65495 1.31170 1.92999 -44.77969 651.00176
5380.0000 -45.85814 -43.76271 2.09543 2.03183 -44.02932 700.07773
5385.0000 -45.52896 -43.82313 1.70582 2.04468 -43.93469 737.64034
5390.0000 -45.81508 -43.39406 2.42102 2.11537 -43.41379 837.64474
5395.0000 -46.02595 -44.56683 1.45912 2.04207 -43.95386 741.26549
5400.0000 -46.08269 -44.44151 1.64118 1.98162 -44.39929 679.02205
5405.0000 -46.15192 -43.85022 2.30170 1.96446 -44.52577 637.90002
5410.0000 -46.47640 -45.19514 1.28126 1.95181 -44.61895 630.38081
5415.0000 -46.01240 -44.87005 1.14235 1.89762 -45.01824 484.91147
5420.0000 -46.24876 -43.74790 2.50086 1.99235 -44.32023 690.46671
5425.0000 -46.36156 -44.98389 1.37766 2.00232 -44.24676 658.64690
5430.0000 -46.66532 -44.67153 1.99379 1.97800 -44.42594 613.13212
5435.0000 -46.41943 -44.99066 1.42876 1.90992 -44.92756 629.38305
5440.0000 -46.73569 -44.99006 1.74564 1.91873 -44.86269 655.23770
5445.0000 -46.32870 -45.31267 1.01603 1.86188 -45.28158 586.51155
5450.0000 -46.69173 -44.66397 2.02776 1.89904 -45.00772 637.37067
5455.0000 -46.20493 -44.50630 1.69863 1.95366 -44.60532 690.20912
5460.0000 -46.51805 -44.54804 1.97001 1.95667 -44.58310 655.17976
5465.0000 -46.11872 -44.06823 2.05050 2.00847 -44.20145 725.95708
5470.0000 -46.24748 -44.84043 1.40706 2.01238 -44.17267 730.92717
5475.0000 -46.11160 -44.69882 1.41278 1.92436 -44.82118 587.34362
5480.0000 -46.29315 -44.84343 1.44972 1.94535 -44.66652 646.31122
5485.0000 -46.51013 -45.12913 1.38100 1.92605 -44.80874 617.84796
5490.0000 -46.77049 -45.31683 1.45366 1.89169 -45.06192 596.04444
5495.0000 -46.35550 -44.88409 1.47142 1.88531 -45.10892 616.88485
5500.0000 -46.51384 -44.83631 1.67753 1.92561 -44.81196 627.59458
FREEZING PROCESS: loop number 23 T-loop= 625.00000000000000
main_MD> interactions number 23 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.08912 3.29463 0.27961
force_rgl> df(natom) -0.40115 1.05562 1.46188
5505.0000 -46.83614 -44.91915 1.91699 1.91365 -44.90013 659.45396
5510.0000 -47.04781 -45.48619 1.56162 1.85428 -45.33753 597.84774
5515.0000 -46.73442 -45.71444 1.01998 1.75844 -46.04372 470.82683
5520.0000 -46.36059 -45.28938 1.07122 1.84315 -45.41955 549.79900
5525.0000 -46.99417 -45.44334 1.55083 1.88579 -45.10540 595.77782
5530.0000 -46.59613 -44.95326 1.64287 1.81598 -45.61972 490.66835
5535.0000 -46.37779 -44.90505 1.47274 1.88572 -45.10588 595.81067
5540.0000 -46.17337 -44.45226 1.72112 1.92427 -44.82186 600.57702
5545.0000 -46.45280 -44.65210 1.80070 1.97159 -44.47318 734.06842
5550.0000 -46.52237 -44.80301 1.71936 1.92239 -44.83571 692.96988
5555.0000 -46.72489 -44.67748 2.04740 1.93743 -44.72492 660.45000
5560.0000 -46.55041 -44.68787 1.86254 1.95109 -44.62425 664.04789
5565.0000 -46.04135 -44.22068 1.82068 1.99891 -44.27188 696.24598
5570.0000 -46.04468 -44.24864 1.79604 1.99309 -44.31478 678.64385
5575.0000 -46.41464 -44.75514 1.65949 1.96213 -44.54290 630.88525
5580.0000 -46.28689 -44.74814 1.53875 1.91132 -44.91726 573.64391
5585.0000 -46.08932 -44.22198 1.86733 1.98722 -44.35805 664.15821
5590.0000 -45.91410 -44.68058 1.23352 2.01500 -44.15337 687.97865
5595.0000 -45.84206 -44.49188 1.35017 1.96088 -44.55214 614.31429
5600.0000 -46.50665 -44.44769 2.05897 1.94539 -44.66623 596.73427
5605.0000 -46.05609 -44.12738 1.92871 1.95780 -44.57480 651.05492
5610.0000 -46.56787 -44.94134 1.62652 1.93869 -44.71562 598.41251
5615.0000 -46.66027 -45.10849 1.55178 1.88312 -45.12505 596.43907
5620.0000 -46.99610 -45.67770 1.31840 1.81714 -45.61122 525.86524
5625.0000 -46.57028 -45.17970 1.39057 1.80961 -45.66669 532.49760
5630.0000 -46.60406 -45.29803 1.30602 1.84339 -45.41776 562.37999
5635.0000 -46.00622 -44.42669 1.57953 1.91303 -44.90465 642.09672
5640.0000 -46.47943 -43.67840 2.80103 2.01390 -44.16149 745.67683
5645.0000 -46.26704 -43.94283 2.32420 2.04323 -43.94535 797.88214
5650.0000 -46.48949 -44.35286 2.13663 2.01654 -44.14204 665.81584
5655.0000 -46.30801 -44.68772 1.62029 1.96243 -44.54070 665.86864
5660.0000 -46.34888 -44.87073 1.47815 1.92112 -44.84510 602.25159
5665.0000 -46.60989 -45.18015 1.42974 1.89603 -45.02995 602.65707
5670.0000 -46.53372 -44.64051 1.89321 1.91279 -44.90643 630.89741
5675.0000 -46.44006 -44.60693 1.83313 1.94673 -44.65637 629.48013
5680.0000 -46.08083 -44.51677 1.56406 1.93693 -44.72860 641.88290
5685.0000 -46.40925 -44.76222 1.64703 1.95109 -44.62422 645.65346
5690.0000 -46.79456 -45.17504 1.61952 1.86064 -45.29068 548.77951
5695.0000 -46.99745 -45.15739 1.84006 1.86424 -45.26413 597.43837
5700.0000 -47.14041 -45.17581 1.96459 1.85372 -45.34166 610.40813
5705.0000 -46.90321 -45.21734 1.68587 1.86724 -45.24204 600.13183
5710.0000 -46.79675 -45.12949 1.66725 1.87097 -45.21458 587.63056
5715.0000 -46.32098 -45.06194 1.25904 1.90315 -44.97749 621.87003
5720.0000 -45.94075 -44.43581 1.50493 1.92804 -44.79410 660.61853
5725.0000 -46.00733 -44.05849 1.94884 2.01369 -44.16302 726.93137
5730.0000 -46.62106 -44.79446 1.82661 1.90320 -44.97711 634.40825
5735.0000 -46.39828 -43.93437 2.46391 1.97984 -44.41240 695.56453
5740.0000 -46.51011 -44.76807 1.74204 1.97076 -44.47930 730.58404
5745.0000 -46.22886 -44.55141 1.67746 1.95652 -44.58421 673.03400
5750.0000 -46.29332 -44.65582 1.63750 1.92466 -44.81898 585.01018
FREEZING PROCESS: loop number 24 T-loop= 600.00000000000000
main_MD> interactions number 24 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76440 0.44253 4.21873
force_rgl> df(natom) -0.89112 2.77868 -0.45799
5755.0000 -47.27662 -45.04084 2.23579 1.91281 -44.90629 619.30924
5760.0000 -46.20814 -45.03071 1.17743 1.87266 -45.20211 584.43087
5765.0000 -47.07467 -45.41283 1.66184 1.90053 -44.99681 634.69813
5770.0000 -47.02607 -45.10193 1.92414 1.83194 -45.50217 546.07814
5775.0000 -46.70127 -45.55859 1.14267 1.84148 -45.43189 560.34155
5780.0000 -47.24333 -46.19138 1.05195 1.82169 -45.57769 515.30478
5785.0000 -46.74379 -45.16405 1.57974 1.83879 -45.45165 561.85564
5790.0000 -46.63337 -44.81491 1.81847 1.87460 -45.18785 609.83285
5795.0000 -46.34624 -45.10159 1.24465 1.94326 -44.68193 694.14623
5800.0000 -46.93382 -45.55080 1.38302 1.82022 -45.58847 508.18738
5805.0000 -47.15826 -45.95948 1.19878 1.78250 -45.86643 482.32263
5810.0000 -46.75073 -45.27931 1.47142 1.84810 -45.38307 581.59829
5815.0000 -46.71500 -45.22048 1.49452 1.87472 -45.18697 640.87049
5820.0000 -46.44260 -45.16696 1.27564 1.90283 -44.97981 603.15004
5825.0000 -46.43651 -44.88861 1.54790 1.92908 -44.78645 664.10476
5830.0000 -46.28545 -44.72045 1.56500 1.94641 -44.65872 612.32320
5835.0000 -46.51993 -44.77506 1.74487 1.92814 -44.79332 610.19128
5840.0000 -46.39395 -44.42789 1.96606 1.91546 -44.88674 653.12010
5845.0000 -46.55857 -44.92580 1.63277 1.93655 -44.73134 684.22150
5850.0000 -46.32032 -44.69842 1.62190 1.94537 -44.66637 657.53764
5855.0000 -46.40815 -44.97833 1.42982 1.95983 -44.55984 645.86904
5860.0000 -46.45968 -44.43960 2.02008 1.95338 -44.60739 640.11158
5865.0000 -45.92588 -43.92378 2.00210 1.99839 -44.27577 652.23779
5870.0000 -46.49810 -44.37624 2.12186 2.00989 -44.19098 747.87767
5875.0000 -46.77964 -45.26907 1.51058 1.91917 -44.85946 675.49106
5880.0000 -46.23562 -44.70786 1.52775 1.92858 -44.79013 626.58815
5885.0000 -46.61585 -45.10842 1.50743 1.92111 -44.84512 591.32551
5890.0000 -46.90568 -45.41232 1.49337 1.84967 -45.37152 544.46473
5895.0000 -47.42337 -46.28243 1.14094 1.81871 -45.59965 520.84047
5900.0000 -46.57691 -45.15434 1.42257 1.80182 -45.72410 507.48030
5905.0000 -46.86529 -45.47055 1.39474 1.84676 -45.39298 563.25501
5910.0000 -46.39136 -44.74058 1.65078 1.85984 -45.29656 557.47082
5915.0000 -46.67336 -45.06588 1.60748 1.89613 -45.02919 608.50230
5920.0000 -47.19392 -46.11266 1.08126 1.77163 -45.94649 425.57436
5925.0000 -46.65562 -45.29381 1.36182 1.80032 -45.73515 491.13718
5930.0000 -46.80535 -45.03389 1.77146 1.91462 -44.89296 645.10525
5935.0000 -46.69475 -45.45975 1.23500 1.88371 -45.12071 592.62996
5940.0000 -47.04492 -45.62447 1.42045 1.84234 -45.42555 562.17879
5945.0000 -46.82433 -45.18200 1.64233 1.86686 -45.24487 588.63646
5950.0000 -46.24415 -45.47224 0.77191 1.84343 -45.41750 521.75961
5955.0000 -47.15639 -45.21166 1.94473 1.83617 -45.47097 542.21511
5960.0000 -46.99114 -45.61242 1.37872 1.80380 -45.70946 503.35545
5965.0000 -46.58723 -45.35697 1.23026 1.87226 -45.20510 568.44853
5970.0000 -46.70833 -44.94185 1.76647 1.86814 -45.23544 561.74768
5975.0000 -47.02023 -45.59181 1.42842 1.85868 -45.30512 565.13426
5980.0000 -46.71756 -45.01461 1.70295 1.85114 -45.36067 576.23921
5985.0000 -46.45278 -45.27936 1.17342 1.84251 -45.42427 540.43207
5990.0000 -46.39803 -44.81167 1.58636 1.91081 -44.92102 619.97600
5995.0000 -46.62893 -45.21044 1.41849 1.94434 -44.67397 617.42661
6000.0000 -46.45756 -44.62256 1.83500 1.90272 -44.98064 573.85864
FREEZING PROCESS: loop number 25 T-loop= 575.00000000000000
main_MD> interactions number 25 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63166 -0.82137 -2.84664
force_rgl> df(natom) 0.51924 -1.21615 -2.32933
6005.0000 -46.72769 -45.56335 1.16434 1.87918 -45.15408 571.38592
6010.0000 -46.82236 -45.30951 1.51284 1.85283 -45.34824 581.36281
6015.0000 -46.93488 -45.03106 1.90382 1.86734 -45.24135 590.11132
6020.0000 -46.60496 -44.94803 1.65693 1.87080 -45.21584 550.56421
6025.0000 -46.85041 -45.23202 1.61839 1.87432 -45.18987 610.45550
6030.0000 -47.09440 -45.62244 1.47196 1.84106 -45.43498 573.26245
6035.0000 -47.09800 -45.87335 1.22465 1.80569 -45.69556 519.39740
6040.0000 -46.26698 -44.89036 1.37662 1.83465 -45.48218 547.18755
6045.0000 -46.73167 -44.64616 2.08551 1.97560 -44.44363 692.41639
6050.0000 -47.18816 -46.03184 1.15633 1.85766 -45.31266 569.51888
6055.0000 -46.76740 -45.24550 1.52190 1.81643 -45.61642 526.66526
6060.0000 -46.85316 -45.58169 1.27146 1.84192 -45.42865 563.60634
6065.0000 -46.61032 -45.15488 1.45544 1.84773 -45.38582 585.62183
6070.0000 -46.40629 -44.88932 1.51697 1.88542 -45.10808 604.70962
6075.0000 -46.41744 -44.42152 1.99592 1.92799 -44.79448 592.30839
6080.0000 -46.47386 -44.71274 1.76111 1.96181 -44.54529 653.63952
6085.0000 -46.41832 -44.95700 1.46132 1.87789 -45.16357 587.55316
6090.0000 -46.78551 -45.27024 1.51527 1.84756 -45.38704 528.50406
6095.0000 -46.36531 -45.18314 1.18217 1.87108 -45.21374 581.67002
6100.0000 -46.44824 -44.92729 1.52095 1.89250 -45.05592 571.31813
6105.0000 -46.58185 -44.91655 1.66530 1.90569 -44.95873 607.35911
6110.0000 -46.40602 -45.12380 1.28221 1.91060 -44.92256 611.15104
6115.0000 -46.38419 -45.29542 1.08877 1.88329 -45.12378 545.62877
6120.0000 -46.60000 -45.12056 1.47944 1.87758 -45.16587 586.75904
6125.0000 -46.93756 -44.89022 2.04734 1.89107 -45.06651 635.10202
6130.0000 -46.67965 -45.42851 1.25114 1.83806 -45.45704 536.42053
6135.0000 -46.82962 -45.53210 1.29752 1.82137 -45.58001 535.42984
6140.0000 -46.35478 -45.08459 1.27019 1.88445 -45.11528 596.08705
6145.0000 -46.68495 -45.29977 1.38518 1.88689 -45.09728 550.92228
6150.0000 -46.29965 -45.11291 1.18675 1.89093 -45.06749 545.91182
6155.0000 -46.72762 -45.18548 1.54214 1.91430 -44.89532 598.78198
6160.0000 -46.32520 -44.74176 1.58344 1.90149 -44.98971 576.43117
6165.0000 -46.76910 -45.24278 1.52632 1.92538 -44.81368 571.33682
6170.0000 -46.73727 -45.46547 1.27180 1.84312 -45.41978 509.37451
6175.0000 -46.82815 -45.71620 1.11195 1.80566 -45.69576 460.74433
6180.0000 -46.11490 -44.56120 1.55370 1.86634 -45.24870 534.72264
6185.0000 -46.31303 -44.94028 1.37276 1.92434 -44.82135 575.86117
6190.0000 -45.87083 -44.53994 1.33090 1.93454 -44.74617 630.74004
6195.0000 -46.16738 -44.97569 1.19170 1.94503 -44.66887 612.44568
6200.0000 -46.49648 -44.88926 1.60722 1.87666 -45.17262 525.75259
6205.0000 -46.19985 -44.66059 1.53926 1.89897 -45.00827 564.50938
6210.0000 -46.53304 -45.17109 1.36195 1.93014 -44.77859 592.11444
6215.0000 -45.96574 -44.83623 1.12952 1.89652 -45.02630 556.49715
6220.0000 -46.35365 -45.25039 1.10325 1.88118 -45.13932 512.08598
6225.0000 -46.54552 -45.89754 0.64798 1.86333 -45.27085 490.05277
6230.0000 -47.02108 -45.58201 1.43908 1.83162 -45.50453 538.14147
6235.0000 -46.91929 -45.23655 1.68274 1.83330 -45.49215 557.40894
6240.0000 -47.12531 -44.84358 2.28173 1.88695 -45.09682 600.77446
6245.0000 -46.73374 -45.10912 1.62462 1.90132 -44.99098 630.82959
6250.0000 -46.98884 -45.58089 1.40795 1.85585 -45.32602 545.28484
FREEZING PROCESS: loop number 26 T-loop= 550.00000000000000
main_MD> interactions number 26 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00136 0.36748 -0.44089
force_rgl> df(natom) -2.45719 -0.92003 1.85523
6255.0000 -46.74050 -45.17879 1.56171 1.84517 -45.40468 557.30106
6260.0000 -46.82227 -45.33016 1.49211 1.86310 -45.27253 572.48916
6265.0000 -46.43698 -45.16860 1.26838 1.84532 -45.40355 550.15957
6270.0000 -46.18827 -44.78348 1.40479 1.89930 -45.00586 556.15159
6275.0000 -46.64984 -45.40752 1.24233 1.91737 -44.87266 626.33363
6280.0000 -46.78122 -45.00454 1.77668 1.88444 -45.11534 595.06166
6285.0000 -46.51750 -44.91955 1.59795 1.90670 -44.95133 629.21636
6290.0000 -46.46678 -44.88343 1.58335 1.93204 -44.76464 598.14792
6295.0000 -46.76677 -45.22920 1.53758 1.91780 -44.86950 578.02211
6300.0000 -46.15742 -44.85388 1.30354 1.87684 -45.17131 530.88231
6305.0000 -46.58941 -44.82600 1.76341 1.90759 -44.94475 592.12660
6310.0000 -46.73516 -44.65540 2.07976 1.94577 -44.66346 692.49885
6315.0000 -46.83959 -45.82233 1.01725 1.84735 -45.38857 552.30894
6320.0000 -47.00931 -45.78135 1.22796 1.79831 -45.74994 483.69128
6325.0000 -46.70502 -45.72756 0.97746 1.80000 -45.73749 489.00381
6330.0000 -46.51609 -45.17299 1.34310 1.81836 -45.60224 505.60354
6335.0000 -46.29011 -45.12909 1.16102 1.87085 -45.21547 548.66699
6340.0000 -46.70920 -44.63021 2.07899 1.94552 -44.66525 651.46138
6345.0000 -46.73386 -45.60764 1.12622 1.84342 -45.41754 558.16743
6350.0000 -46.66933 -45.29161 1.37772 1.83920 -45.44868 566.77560
6355.0000 -47.30480 -46.15125 1.15355 1.80383 -45.70929 494.86671
6360.0000 -46.70429 -45.30508 1.39922 1.80986 -45.66482 484.19425
6365.0000 -46.96128 -45.82892 1.13236 1.83042 -45.51334 518.99715
6370.0000 -47.05716 -45.31399 1.74317 1.83676 -45.46666 530.00019
6375.0000 -46.41671 -45.13904 1.27768 1.88445 -45.11523 587.85523
6380.0000 -47.10950 -45.55784 1.55165 1.87242 -45.20387 544.18636
6385.0000 -47.00624 -45.60806 1.39817 1.81211 -45.64823 532.12787
6390.0000 -46.67948 -45.17237 1.50711 1.82575 -45.54777 536.19188
6395.0000 -46.92361 -45.59892 1.32470 1.87833 -45.16033 589.79431
6400.0000 -46.69043 -45.07651 1.61391 1.85813 -45.30920 555.75003
6405.0000 -46.19322 -44.82076 1.37247 1.89272 -45.05433 575.69988
6410.0000 -46.69896 -44.48963 2.20933 1.96291 -44.53713 664.60483
6415.0000 -46.41403 -44.79769 1.61634 1.94476 -44.67088 622.94282
6420.0000 -46.36796 -45.16075 1.20721 1.86642 -45.24813 522.72551
6425.0000 -46.59416 -45.03244 1.56171 1.88579 -45.10536 558.49065
6430.0000 -46.09463 -44.70355 1.39108 1.92297 -44.83141 641.40677
6435.0000 -46.65753 -45.05327 1.60426 1.90530 -44.96166 582.15962
6440.0000 -46.65316 -45.46180 1.19136 1.86688 -45.24470 576.94488
6445.0000 -46.70496 -45.02966 1.67530 1.87896 -45.15570 600.07246
6450.0000 -47.15300 -45.67501 1.47799 1.85565 -45.32748 549.26034
6455.0000 -47.26417 -45.84602 1.41815 1.79896 -45.74519 490.41832
6460.0000 -46.70669 -45.48006 1.22663 1.79346 -45.78568 472.24375
6465.0000 -47.22272 -45.92610 1.29662 1.80893 -45.67170 504.57020
6470.0000 -46.57684 -45.60537 0.97147 1.81712 -45.61135 537.40617
6475.0000 -47.26980 -45.63681 1.63300 1.82066 -45.58529 508.08773
6480.0000 -47.16582 -45.82168 1.34414 1.82235 -45.57279 535.67290
6485.0000 -47.43799 -46.34029 1.09770 1.77418 -45.92771 472.33119
6490.0000 -47.10299 -45.54257 1.56042 1.77697 -45.90720 471.52463
6495.0000 -46.70991 -44.57143 2.13848 1.85406 -45.33918 558.51465
6500.0000 -46.50521 -45.10704 1.39817 1.92871 -44.78917 674.71661
FREEZING PROCESS: loop number 27 T-loop= 525.00000000000000
main_MD> interactions number 27 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.93696 0.18857 2.36822
force_rgl> df(natom) -2.03434 0.39643 -3.40847
6505.0000 -47.17250 -45.48980 1.68270 1.83657 -45.46804 536.55019
6510.0000 -46.60380 -45.31924 1.28456 1.82551 -45.54950 525.76658
6515.0000 -47.28846 -45.39279 1.89567 1.85978 -45.29699 573.92849
6520.0000 -47.07809 -45.76252 1.31557 1.82530 -45.55107 529.37775
6525.0000 -45.92156 -44.99492 0.92665 1.86864 -45.23171 500.42043
6530.0000 -46.52659 -44.96467 1.56192 1.91136 -44.91698 598.34249
6535.0000 -47.05631 -45.14829 1.90802 1.90667 -44.95155 610.39111
6540.0000 -46.95864 -45.45097 1.50767 1.87374 -45.19418 588.85343
6545.0000 -47.22444 -46.28050 0.94394 1.77456 -45.92493 449.50925
6550.0000 -46.90296 -45.43939 1.46357 1.79896 -45.74517 522.06305
6555.0000 -46.89766 -45.31394 1.58372 1.86957 -45.22486 594.01906
6560.0000 -46.94346 -45.59940 1.34406 1.83896 -45.45040 568.25203
6565.0000 -46.98384 -45.52209 1.46175 1.84620 -45.39711 569.45659
6570.0000 -47.00321 -45.72987 1.27335 1.81171 -45.65122 490.19997
6575.0000 -47.21131 -45.76020 1.45112 1.79353 -45.78516 478.72223
6580.0000 -46.83381 -45.70468 1.12913 1.82301 -45.56792 530.51997
6585.0000 -47.29996 -45.84976 1.45021 1.76468 -45.99772 472.42057
6590.0000 -47.06763 -45.64382 1.42380 1.78078 -45.87911 484.99875
6595.0000 -46.20660 -45.03372 1.17288 1.86665 -45.24640 584.25495
6600.0000 -46.70188 -45.25252 1.44937 1.87156 -45.21021 563.90599
6605.0000 -47.43190 -45.62222 1.80968 1.83874 -45.45207 526.33646
6610.0000 -46.86235 -45.42491 1.43744 1.84341 -45.41761 591.65425
6615.0000 -47.17274 -46.02070 1.15205 1.81401 -45.63429 527.91160
6620.0000 -46.97982 -46.02150 0.95832 1.75096 -46.09879 431.52815
6625.0000 -46.71098 -45.57107 1.13991 1.78323 -45.86107 417.17091
6630.0000 -46.92533 -45.49674 1.42859 1.82093 -45.58325 448.00730
6635.0000 -46.53671 -45.17698 1.35973 1.85760 -45.31311 534.05772
6640.0000 -46.83437 -45.38356 1.45081 1.88007 -45.14752 580.80218
6645.0000 -46.85323 -45.76679 1.08644 1.82118 -45.58147 535.70386
6650.0000 -47.02965 -45.94605 1.08360 1.76689 -45.98144 469.94511
6655.0000 -46.48988 -45.52577 0.96411 1.81645 -45.61627 538.60618
6660.0000 -46.98461 -45.65124 1.33337 1.83018 -45.51512 542.01234
6665.0000 -46.99338 -45.98115 1.01223 1.78390 -45.85614 483.15240
6670.0000 -46.93227 -45.56584 1.36643 1.78884 -45.81969 488.01827
6675.0000 -46.92568 -45.33514 1.59054 1.82933 -45.52137 522.37267
6680.0000 -46.62778 -45.27968 1.34810 1.84825 -45.38197 538.50079
6685.0000 -47.13036 -45.57825 1.55210 1.86041 -45.29237 587.11174
6690.0000 -46.52892 -44.94250 1.58642 1.85808 -45.30957 564.13158
6695.0000 -46.62250 -45.16957 1.45293 1.92376 -44.82562 619.70863
6700.0000 -47.13915 -45.65930 1.47985 1.79014 -45.81014 464.18772
6705.0000 -47.15368 -45.96283 1.19085 1.79243 -45.79325 469.99636
6710.0000 -47.09194 -45.65946 1.43248 1.80190 -45.72352 498.50931
6715.0000 -46.48780 -44.96373 1.52407 1.87166 -45.20949 570.78000
6720.0000 -46.82236 -44.79472 2.02763 1.92823 -44.79271 661.97799
6725.0000 -46.78758 -45.21408 1.57350 1.88801 -45.08903 614.31348
6730.0000 -46.92430 -45.27825 1.64605 1.87828 -45.16075 608.30803
6735.0000 -47.44264 -46.28332 1.15931 1.78921 -45.81696 505.90750
6740.0000 -46.85837 -45.35700 1.50137 1.77796 -45.89987 470.72473
6745.0000 -46.73048 -44.67700 2.05348 1.85355 -45.34291 572.63967
6750.0000 -46.98603 -45.01546 1.97057 1.90516 -44.96267 643.41260
FREEZING PROCESS: loop number 28 T-loop= 500.00000000000000
main_MD> interactions number 28 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38190 1.70145 2.27067
force_rgl> df(natom) 2.27968 -0.86143 0.73429
6755.0000 -46.84432 -45.84819 0.99612 1.85535 -45.32968 579.39036
6760.0000 -47.00399 -45.97681 1.02718 1.79807 -45.75173 496.77292
6765.0000 -47.37245 -46.01379 1.35867 1.75153 -46.09459 449.50402
6770.0000 -47.33605 -46.13371 1.20234 1.76893 -45.96639 476.00079
6775.0000 -46.99848 -46.02878 0.96969 1.75779 -46.04851 447.96954
6780.0000 -47.18280 -45.86489 1.31791 1.76954 -45.96194 465.34831
6785.0000 -47.08773 -46.00084 1.08689 1.80333 -45.71295 511.49735
6790.0000 -47.68588 -46.53762 1.14825 1.73408 -46.22320 411.02988
6795.0000 -47.08930 -46.02337 1.06593 1.71368 -46.37350 375.70810
6800.0000 -46.57747 -45.24755 1.32992 1.83883 -45.45136 503.52347
6805.0000 -46.47534 -45.42559 1.04975 1.87280 -45.20107 538.32141
6810.0000 -46.88772 -45.47027 1.41745 1.84238 -45.42523 538.20154
6815.0000 -47.34035 -45.96845 1.37191 1.80198 -45.72291 505.53066
6820.0000 -46.65910 -45.51084 1.14826 1.78806 -45.82548 485.95904
6825.0000 -47.25761 -46.38677 0.87084 1.79322 -45.78748 477.61448
6830.0000 -47.62070 -46.41070 1.21000 1.72278 -46.30645 417.01328
6835.0000 -47.19515 -46.16740 1.02775 1.72706 -46.27493 408.62752
6840.0000 -47.05995 -45.54762 1.51233 1.79906 -45.74442 494.70667
6845.0000 -46.73895 -45.23767 1.50128 1.84595 -45.39891 550.93640
6850.0000 -47.03979 -45.17659 1.86320 1.84736 -45.38853 529.86323
6855.0000 -47.06910 -45.72917 1.33994 1.81331 -45.63945 528.18602
6860.0000 -46.59034 -45.60261 0.98773 1.80052 -45.73364 464.69694
6865.0000 -46.34943 -44.74864 1.60079 1.91313 -44.90393 603.74384
6870.0000 -46.82412 -45.60601 1.21811 1.91045 -44.92367 598.81446
6875.0000 -47.20834 -45.33965 1.86869 1.82232 -45.57301 514.80152
6880.0000 -47.18368 -45.97509 1.20859 1.78480 -45.84948 496.49090
6885.0000 -47.01317 -45.81008 1.20309 1.74405 -46.14969 429.02210
6890.0000 -47.29822 -46.08696 1.21126 1.74615 -46.13425 427.43600
6895.0000 -47.05398 -45.90446 1.14953 1.79057 -45.80697 487.19325
6900.0000 -47.26585 -45.96763 1.29823 1.76410 -46.00197 454.87829
6905.0000 -46.99969 -45.38355 1.61615 1.79549 -45.77071 515.60995
6910.0000 -46.97425 -45.62935 1.34490 1.84628 -45.39649 547.07115
6915.0000 -47.40942 -46.12743 1.28199 1.79325 -45.78719 466.64170
6920.0000 -47.31236 -46.22215 1.09021 1.74143 -46.16903 419.26115
6925.0000 -47.57736 -46.05104 1.52632 1.77072 -45.95322 480.66352
6930.0000 -47.56288 -46.41233 1.15054 1.72212 -46.31128 399.45181
6935.0000 -46.54859 -45.32472 1.22387 1.78053 -45.88093 478.71853
6940.0000 -46.91813 -45.62548 1.29265 1.80974 -45.66573 507.76548
6945.0000 -46.99933 -45.56557 1.43376 1.84243 -45.42486 539.86763
6950.0000 -47.01631 -45.55233 1.46399 1.82539 -45.55044 533.20736
6955.0000 -46.28501 -45.06226 1.22276 1.84377 -45.41495 570.70671
6960.0000 -47.02522 -46.03239 0.99282 1.84856 -45.37967 547.78141
6965.0000 -47.10834 -45.83869 1.26965 1.76053 -46.02830 444.42814
6970.0000 -47.39478 -45.84561 1.54917 1.77971 -45.88700 482.22502
6975.0000 -46.92058 -45.93363 0.98695 1.81619 -45.61823 534.53183
6980.0000 -47.44128 -45.73805 1.70322 1.77602 -45.91415 474.87285
6985.0000 -47.06460 -45.65146 1.41314 1.80762 -45.68137 518.07297
6990.0000 -46.94889 -45.57917 1.36972 1.80905 -45.67079 518.87398
6995.0000 -47.28870 -46.06683 1.22187 1.80870 -45.67335 513.50977
7000.0000 -47.20917 -45.77276 1.43641 1.77336 -45.93376 463.72089
FREEZING PROCESS: loop number 29 T-loop= 475.00000000000000
main_MD> interactions number 29 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.66186 -0.91070 0.64682
force_rgl> df(natom) 0.87667 0.51734 0.72977
7005.0000 -47.05465 -45.72959 1.32506 1.77503 -45.92145 466.42330
7010.0000 -46.79873 -45.40159 1.39713 1.84743 -45.38799 559.04598
7015.0000 -46.82922 -45.27293 1.55629 1.83716 -45.46368 529.68363
7020.0000 -46.67573 -45.29390 1.38183 1.83241 -45.49868 543.11821
7025.0000 -46.78018 -45.65523 1.12494 1.84056 -45.43863 549.68008
7030.0000 -47.04066 -46.05021 0.99045 1.84157 -45.43116 539.85374
7035.0000 -47.14930 -45.64123 1.50807 1.79637 -45.76424 504.53959
7040.0000 -46.95434 -45.78942 1.16492 1.80362 -45.71080 513.75398
7045.0000 -46.67485 -45.65923 1.01563 1.79059 -45.80683 458.19764
7050.0000 -47.01456 -45.61697 1.39758 1.81955 -45.59345 530.81759
7055.0000 -47.15176 -45.59876 1.55300 1.81989 -45.59091 521.81511
7060.0000 -47.49164 -45.99267 1.49897 1.76865 -45.96850 467.97111
7065.0000 -47.11614 -46.15020 0.96593 1.77084 -45.95235 469.70791
7070.0000 -47.07818 -45.85884 1.21934 1.74787 -46.12160 441.72540
7075.0000 -46.97390 -45.55243 1.42147 1.80176 -45.72450 481.29373
7080.0000 -46.97198 -45.38608 1.58590 1.82220 -45.57391 542.32724
7085.0000 -47.03828 -45.51235 1.52593 1.84850 -45.38016 572.78326
7090.0000 -47.28431 -45.85680 1.42752 1.82275 -45.56985 513.37943
7095.0000 -46.68940 -45.57092 1.11848 1.81866 -45.59997 521.11642
7100.0000 -47.13079 -45.81205 1.31874 1.77814 -45.89855 468.06091
7105.0000 -46.82064 -45.51036 1.31028 1.80187 -45.72367 493.17763
7110.0000 -46.72175 -45.68544 1.03631 1.82744 -45.53533 519.59415
7115.0000 -46.88622 -45.42383 1.46238 1.83196 -45.50202 528.30553
7120.0000 -46.66305 -45.36904 1.29400 1.84654 -45.39459 571.35696
7125.0000 -46.78735 -45.55650 1.23085 1.84560 -45.40147 557.15018
7130.0000 -47.25539 -46.07725 1.17815 1.82703 -45.53830 532.99197
7135.0000 -47.34138 -46.22366 1.11772 1.74787 -46.12156 453.63181
7140.0000 -47.01624 -45.90150 1.11475 1.74955 -46.10923 436.71918
7145.0000 -47.07098 -45.50350 1.56749 1.81318 -45.64036 522.57869
7150.0000 -47.37781 -45.84402 1.53379 1.81642 -45.61647 528.34883
7155.0000 -46.83890 -45.60702 1.23188 1.78908 -45.81795 493.06827
7160.0000 -47.09625 -45.70099 1.39526 1.81343 -45.63855 519.38176
7165.0000 -46.66759 -45.18239 1.48521 1.83903 -45.44992 532.92270
7170.0000 -46.42237 -45.24775 1.17463 1.83407 -45.48645 534.10199
7175.0000 -47.40679 -45.94609 1.46070 1.80545 -45.69736 497.98955
7180.0000 -47.16309 -45.83012 1.33297 1.78166 -45.87264 479.40165
7185.0000 -47.22344 -46.08096 1.14247 1.77070 -45.95336 445.49809
7190.0000 -46.79412 -45.86686 0.92727 1.76345 -46.00677 449.84512
7195.0000 -46.70550 -45.68789 1.01760 1.83069 -45.51135 523.91525
7200.0000 -47.01752 -45.67798 1.33954 1.82681 -45.53998 546.23401
7205.0000 -46.60622 -45.41975 1.18647 1.82101 -45.58266 528.82957
7210.0000 -46.60413 -45.51837 1.08576 1.84635 -45.39595 555.01196
7215.0000 -46.80289 -45.23079 1.57210 1.84473 -45.40788 546.28736
7220.0000 -46.90507 -45.71959 1.18548 1.80258 -45.71848 496.74671
7225.0000 -47.26118 -45.81021 1.45097 1.78452 -45.85156 480.19299
7230.0000 -47.20839 -45.89141 1.31698 1.77268 -45.93876 463.44685
7235.0000 -47.55803 -46.44322 1.11480 1.75520 -46.06758 435.41800
7240.0000 -47.54006 -46.50821 1.03185 1.71099 -46.39329 392.50727
7245.0000 -46.98035 -46.08140 0.89895 1.74431 -46.14779 449.01216
7250.0000 -47.28583 -46.13728 1.14855 1.75526 -46.06716 437.15702
FREEZING PROCESS: loop number 30 T-loop= 450.00000000000000
main_MD> interactions number 30 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70083 -0.73728 0.86117
force_rgl> df(natom) -1.15777 -1.47446 -0.55349
7255.0000 -47.17325 -46.14086 1.03239 1.74909 -46.11259 438.64929
7260.0000 -46.56597 -45.75197 0.81400 1.76082 -46.02614 451.52181
7265.0000 -46.81079 -45.80359 1.00720 1.79538 -45.77156 487.93102
7270.0000 -47.30883 -45.98931 1.31952 1.79133 -45.80140 483.03731
7275.0000 -47.22635 -46.01839 1.20796 1.76288 -46.01100 460.44560
7280.0000 -47.24978 -46.48730 0.76249 1.71801 -46.34161 402.05329
7285.0000 -47.78164 -46.87326 0.90837 1.70928 -46.40592 379.30098
7290.0000 -47.44803 -46.40153 1.04650 1.67561 -46.65397 333.44413
7295.0000 -47.20172 -45.60611 1.59561 1.76644 -45.98474 457.41862
7300.0000 -47.60497 -46.29963 1.30534 1.72239 -46.30931 395.62879
7305.0000 -47.40962 -46.55369 0.85593 1.71897 -46.33452 398.61588
7310.0000 -47.18799 -46.09618 1.09182 1.70593 -46.43060 377.83504
7315.0000 -47.24123 -45.95491 1.28633 1.74616 -46.13419 429.43872
7320.0000 -47.12260 -45.73599 1.38661 1.79516 -45.77316 494.70485
7325.0000 -47.15321 -46.16119 0.99202 1.76995 -45.95886 460.89199
7330.0000 -47.39430 -46.37672 1.01759 1.73994 -46.18002 406.37578
7335.0000 -47.17698 -46.08401 1.09297 1.74703 -46.12775 425.91666
7340.0000 -47.31844 -46.21193 1.10651 1.72055 -46.32287 394.60663
7345.0000 -47.79134 -46.67864 1.11270 1.71071 -46.39539 395.61290
7350.0000 -47.26047 -46.08112 1.17935 1.71380 -46.37263 406.51739
7355.0000 -47.20494 -46.40986 0.79507 1.73370 -46.22603 419.37881
7360.0000 -46.85456 -45.78449 1.07007 1.71854 -46.33767 374.18057
7365.0000 -47.07616 -45.76782 1.30834 1.77906 -45.89175 471.84603
7370.0000 -47.07371 -46.14166 0.93205 1.77413 -45.92810 464.01318
7375.0000 -47.26274 -46.20838 1.05436 1.74212 -46.16395 422.97964
7380.0000 -46.89850 -45.96340 0.93510 1.74800 -46.12060 414.96593
7385.0000 -47.28326 -46.42343 0.85984 1.73452 -46.21995 403.61026
7390.0000 -47.47650 -46.40192 1.07458 1.71919 -46.33286 404.77977
7395.0000 -47.31289 -46.11890 1.19398 1.73471 -46.21855 416.27665
7400.0000 -47.24874 -46.33945 0.90929 1.74627 -46.13340 408.62443
7405.0000 -47.15837 -46.24939 0.90898 1.72882 -46.26191 405.01858
7410.0000 -47.26437 -46.32965 0.93472 1.74836 -46.11799 431.23376
7415.0000 -47.43546 -46.21715 1.21831 1.73405 -46.22339 412.84273
7420.0000 -47.28074 -46.47940 0.80134 1.72461 -46.29299 402.28487
7425.0000 -47.63601 -46.30788 1.32813 1.70755 -46.41869 382.52418
7430.0000 -47.00899 -45.99390 1.01509 1.71707 -46.34853 394.07665
7435.0000 -47.36169 -46.34370 1.01800 1.73879 -46.18849 401.22116
7440.0000 -47.48394 -46.52278 0.96117 1.70495 -46.43782 370.02275
7445.0000 -47.01906 -45.64043 1.37863 1.75313 -46.08280 444.08703
7450.0000 -46.54386 -45.04365 1.50021 1.85410 -45.33887 551.03105
7455.0000 -47.43971 -45.95894 1.48077 1.82430 -45.55845 536.57029
7460.0000 -46.74943 -45.53458 1.21485 1.77848 -45.89608 462.63355
7465.0000 -47.21891 -45.71705 1.50185 1.81538 -45.62419 494.92461
7470.0000 -47.02476 -45.98993 1.03483 1.77494 -45.92216 475.13418
7475.0000 -47.32360 -46.40339 0.92021 1.73062 -46.24868 413.40548
7480.0000 -47.50666 -46.43943 1.06723 1.68750 -46.56638 355.48880
7485.0000 -47.19738 -45.64429 1.55309 1.74113 -46.17124 421.53716
7490.0000 -47.24123 -46.14653 1.09470 1.76499 -45.99541 457.07993
7495.0000 -46.71369 -45.60465 1.10904 1.77076 -45.95296 471.72429
7500.0000 -47.03738 -46.29646 0.74093 1.80664 -45.68855 499.38243
FREEZING PROCESS: loop number 31 T-loop= 425.00000000000000
main_MD> interactions number 31 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72896 0.35662 0.89285
force_rgl> df(natom) -1.22011 -0.32832 -0.34078
7505.0000 -47.13348 -45.90894 1.22454 1.71459 -46.36676 389.58649
7510.0000 -47.48885 -46.60660 0.88225 1.76072 -46.02694 438.61908
7515.0000 -47.32383 -46.28221 1.04162 1.73978 -46.18117 441.26584
7520.0000 -47.05383 -46.07295 0.98089 1.70750 -46.41906 373.41610
7525.0000 -47.22014 -46.01842 1.20172 1.75574 -46.06360 438.59861
7530.0000 -47.35816 -46.16988 1.18829 1.74146 -46.16880 422.64425
7535.0000 -47.42245 -46.62403 0.79842 1.71684 -46.35021 393.07158
7540.0000 -47.29997 -46.52498 0.77499 1.69927 -46.47965 371.23449
7545.0000 -47.03968 -46.18270 0.85698 1.69749 -46.49276 377.26761
7550.0000 -47.11790 -45.56525 1.55264 1.78963 -45.81387 489.03774
7555.0000 -47.14683 -45.60467 1.54216 1.79214 -45.79540 491.18297
7560.0000 -46.87996 -45.43908 1.44087 1.83532 -45.47726 539.66701
7565.0000 -47.64759 -46.70330 0.94428 1.76021 -46.03067 447.72178
7570.0000 -47.21437 -46.24867 0.96570 1.68778 -46.56435 359.19718
7575.0000 -47.16131 -46.32047 0.84085 1.74189 -46.16561 426.64864
7580.0000 -47.66745 -46.32056 1.34689 1.70845 -46.41202 384.02297
7585.0000 -47.43478 -46.24363 1.19115 1.70376 -46.44657 387.28230
7590.0000 -47.22095 -46.16065 1.06029 1.71158 -46.38899 380.48031
7595.0000 -47.44556 -46.10577 1.33979 1.72687 -46.27632 403.49760
7600.0000 -47.20672 -46.23516 0.97155 1.75094 -46.09897 438.72839
7605.0000 -47.32842 -46.06750 1.26091 1.73458 -46.21950 417.61662
7610.0000 -47.05005 -45.94478 1.10527 1.74040 -46.17666 413.32048
7615.0000 -47.16799 -45.97142 1.19657 1.75368 -46.07875 457.80147
7620.0000 -47.41725 -46.34262 1.07463 1.75289 -46.08462 435.46843
7625.0000 -47.32192 -46.11301 1.20890 1.73374 -46.22568 418.22563
7630.0000 -47.29220 -46.52329 0.76891 1.70369 -46.44708 377.93137
7635.0000 -47.33340 -46.41756 0.91584 1.67235 -46.67799 327.13516
7640.0000 -47.55223 -46.65541 0.89682 1.72701 -46.27530 410.21460
7645.0000 -47.39797 -46.51284 0.88513 1.70113 -46.46599 389.33274
7650.0000 -47.50933 -46.50149 1.00784 1.68757 -46.56590 352.95276
7655.0000 -47.40664 -46.30890 1.09774 1.68604 -46.57712 357.52870
7660.0000 -47.39860 -46.37809 1.02051 1.75119 -46.09713 470.44549
7665.0000 -47.10245 -45.62680 1.47565 1.76382 -46.00405 454.26866
7670.0000 -46.92910 -45.35001 1.57909 1.81969 -45.59243 498.65418
7675.0000 -47.18570 -46.05299 1.13271 1.82446 -45.55725 525.23845
7680.0000 -47.31231 -46.37251 0.93979 1.72344 -46.30155 382.70723
7685.0000 -46.92802 -45.44571 1.48231 1.79268 -45.79145 479.12312
7690.0000 -47.05420 -45.83219 1.22201 1.80692 -45.68648 513.97624
7695.0000 -46.92791 -45.97407 0.95384 1.77130 -45.94894 455.24742
7700.0000 -47.04467 -45.79702 1.24765 1.80676 -45.68767 501.67364
7705.0000 -47.17655 -45.69198 1.48456 1.81459 -45.63002 523.65217
7710.0000 -47.03008 -45.75949 1.27059 1.78570 -45.84287 478.99176
7715.0000 -47.20180 -45.99668 1.20512 1.79372 -45.78376 497.66045
7720.0000 -47.59330 -46.23313 1.36017 1.77132 -45.94881 445.16661
7725.0000 -47.17316 -45.82956 1.34360 1.74511 -46.14189 450.32676
7730.0000 -47.13008 -46.20417 0.92590 1.75695 -46.05468 439.25515
7735.0000 -47.19992 -46.23709 0.96283 1.75033 -46.10348 418.71729
7740.0000 -47.09464 -45.93122 1.16342 1.78864 -45.82120 466.98587
7745.0000 -47.49250 -46.50543 0.98707 1.74190 -46.16556 433.07989
7750.0000 -47.18597 -45.96888 1.21709 1.72725 -46.27352 402.51439
FREEZING PROCESS: loop number 32 T-loop= 400.00000000000000
main_MD> interactions number 32 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.90506 -0.36662 -1.06513
force_rgl> df(natom) 0.99549 -1.88416 1.47127
7755.0000 -47.56448 -46.43659 1.12788 1.73668 -46.20405 432.97912
7760.0000 -47.36605 -46.16335 1.20269 1.70796 -46.41568 378.65789
7765.0000 -47.37295 -46.53734 0.83560 1.70986 -46.40168 377.76277
7770.0000 -47.64334 -46.82257 0.82077 1.70203 -46.45931 370.55902
7775.0000 -47.41465 -46.51634 0.89831 1.66635 -46.72223 315.51728
7780.0000 -47.69927 -46.68500 1.01427 1.72476 -46.29184 404.55247
7785.0000 -47.66788 -46.73841 0.92947 1.68702 -46.56993 354.88288
7790.0000 -47.52143 -46.66769 0.85374 1.63338 -46.96516 275.01617
7795.0000 -47.57324 -46.64531 0.92793 1.69670 -46.49859 357.50135
7800.0000 -47.45596 -46.50745 0.94851 1.69684 -46.49756 361.20822
7805.0000 -47.36506 -46.54824 0.81682 1.70238 -46.45673 354.01885
7810.0000 -47.40798 -46.37162 1.03636 1.71089 -46.39402 388.62616
7815.0000 -47.21295 -46.03836 1.17459 1.71772 -46.34372 391.89808
7820.0000 -47.20572 -46.39298 0.81274 1.72947 -46.25717 410.65191
7825.0000 -47.29362 -46.39050 0.90312 1.70819 -46.41393 380.05388
7830.0000 -47.59888 -46.31647 1.28242 1.72154 -46.31558 412.38691
7835.0000 -46.83414 -46.04509 0.78905 1.76350 -46.00642 462.47593
7840.0000 -47.56271 -46.35060 1.21211 1.76910 -45.96519 467.81996
7845.0000 -47.24356 -46.29955 0.94401 1.72364 -46.30013 390.27212
7850.0000 -47.63081 -46.22689 1.40392 1.73047 -46.24981 401.01456
7855.0000 -47.37197 -46.47162 0.90035 1.74097 -46.17243 418.02578
7860.0000 -47.56030 -46.78658 0.77372 1.68646 -46.57405 341.46844
7865.0000 -47.50276 -46.74018 0.76258 1.68729 -46.56792 360.70628
7870.0000 -47.80720 -47.06783 0.73937 1.64463 -46.88225 298.38744
7875.0000 -47.57531 -46.70313 0.87218 1.66235 -46.75172 323.80287
7880.0000 -47.80703 -46.76469 1.04234 1.65860 -46.77935 314.57926
7885.0000 -47.23353 -46.40838 0.82514 1.71564 -46.35903 392.10311
7890.0000 -47.27675 -46.23842 1.03833 1.70058 -46.47000 359.22037
7895.0000 -47.61764 -46.46494 1.15270 1.70960 -46.40357 370.27537
7900.0000 -47.59585 -46.60872 0.98714 1.70301 -46.45210 363.84128
7905.0000 -47.16167 -46.22306 0.93861 1.71189 -46.38668 386.96536
7910.0000 -47.60022 -46.46780 1.13242 1.73707 -46.20118 426.18002
7915.0000 -47.29791 -46.34855 0.94936 1.68266 -46.60207 348.45837
7920.0000 -47.28688 -46.45586 0.83101 1.70723 -46.42102 394.25476
7925.0000 -47.36774 -46.54562 0.82212 1.71063 -46.39597 387.54043
7930.0000 -47.34345 -46.16786 1.17560 1.71786 -46.34270 385.97880
7935.0000 -47.20741 -45.95820 1.24920 1.72758 -46.27107 402.03623
7940.0000 -47.14882 -45.93279 1.21603 1.77526 -45.91980 467.95041
7945.0000 -47.38818 -46.42398 0.96420 1.75455 -46.07237 438.93899
7950.0000 -47.24852 -46.41749 0.83103 1.71482 -46.36508 396.53813
7955.0000 -47.42123 -46.62438 0.79684 1.69512 -46.51024 370.75068
7960.0000 -47.00508 -45.99425 1.01084 1.72804 -46.26766 389.36523
7965.0000 -46.96542 -45.90866 1.05676 1.77883 -45.89348 467.39654
7970.0000 -47.31818 -46.46438 0.85380 1.73244 -46.23527 414.46719
7975.0000 -47.40769 -46.51778 0.88991 1.69444 -46.51524 355.33208
7980.0000 -47.56298 -46.52052 1.04246 1.72710 -46.27461 404.24121
7985.0000 -47.33082 -46.18883 1.14199 1.71363 -46.37386 394.12138
7990.0000 -47.32073 -46.48305 0.83768 1.70419 -46.44341 373.14420
7995.0000 -47.25372 -46.14702 1.10669 1.70064 -46.46959 360.57380
8000.0000 -47.15436 -46.08212 1.07224 1.73499 -46.21645 406.97784
FREEZING PROCESS: loop number 33 T-loop= 375.00000000000000
main_MD> interactions number 33 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.77006 -0.04281 -0.62766
force_rgl> df(natom) -0.31594 0.04543 0.02830
8005.0000 -47.40803 -46.47921 0.92882 1.71927 -46.33233 390.40747
8010.0000 -47.57649 -46.85564 0.72086 1.65862 -46.77921 318.52111
8015.0000 -47.60230 -46.89431 0.70799 1.64616 -46.87097 295.65137
8020.0000 -47.64588 -47.05448 0.59140 1.63738 -46.93568 283.13760
8025.0000 -47.52616 -46.32952 1.19664 1.65618 -46.79714 316.53138
8030.0000 -47.27021 -46.65868 0.61152 1.69563 -46.50653 364.67558
8035.0000 -47.58542 -46.64420 0.94122 1.70743 -46.41957 368.36989
8040.0000 -47.55464 -46.66447 0.89017 1.67076 -46.68976 328.98039
8045.0000 -47.53794 -46.54183 0.99610 1.69234 -46.53076 361.60168
8050.0000 -47.69806 -46.72809 0.96997 1.68654 -46.57350 348.00274
8055.0000 -47.60525 -46.83082 0.77443 1.67132 -46.68561 326.87012
8060.0000 -47.69133 -47.05692 0.63441 1.64622 -46.87052 294.23209
8065.0000 -47.41109 -46.45475 0.95634 1.66473 -46.73419 318.31835
8070.0000 -47.28826 -46.48420 0.80406 1.69028 -46.54592 365.79013
8075.0000 -47.40833 -46.30466 1.10367 1.70299 -46.45230 369.95889
8080.0000 -47.35176 -46.24124 1.11051 1.72847 -46.26450 403.49700
8085.0000 -47.38667 -46.51536 0.87131 1.70250 -46.45590 385.88839
8090.0000 -47.50544 -46.56537 0.94006 1.70365 -46.44744 379.05997
8095.0000 -47.43220 -46.13629 1.29591 1.70058 -46.46999 369.48436
8100.0000 -47.41466 -46.59664 0.81801 1.70243 -46.45640 390.31013
8105.0000 -47.26480 -46.52958 0.73522 1.69263 -46.52860 352.46446
8110.0000 -47.30728 -46.31558 0.99170 1.69443 -46.51534 346.01770
8115.0000 -47.50360 -46.51109 0.99251 1.70410 -46.44412 376.75601
8120.0000 -47.46974 -46.40842 1.06132 1.68673 -46.57204 352.35256
8125.0000 -47.56334 -46.52012 1.04322 1.70531 -46.43517 384.61217
8130.0000 -47.32331 -46.29765 1.02565 1.71328 -46.37644 389.16396
8135.0000 -47.63947 -46.57445 1.06501 1.68713 -46.56912 352.74167
8140.0000 -47.34276 -46.45145 0.89131 1.69881 -46.48307 357.00061
8145.0000 -47.48866 -46.70158 0.78708 1.69303 -46.52565 365.10235
8150.0000 -47.47831 -46.36375 1.11457 1.67633 -46.64872 346.39380
8155.0000 -47.63152 -46.85175 0.77977 1.63942 -46.92065 305.11296
8160.0000 -47.59745 -46.74549 0.85196 1.66886 -46.70377 326.85884
8165.0000 -47.61672 -46.81269 0.80403 1.70550 -46.43377 375.42405
8170.0000 -47.63061 -46.72591 0.90470 1.64829 -46.85533 292.75277
8175.0000 -47.60576 -46.55817 1.04759 1.67140 -46.68501 334.25515
8180.0000 -47.26721 -46.33981 0.92740 1.69638 -46.50094 362.81321
8185.0000 -47.57901 -46.45897 1.12004 1.72133 -46.31715 394.63626
8190.0000 -47.60422 -46.91319 0.69103 1.65536 -46.80318 276.09772
8195.0000 -47.77646 -46.62756 1.14889 1.66876 -46.70446 328.35444
8200.0000 -47.20418 -46.24419 0.95999 1.67017 -46.69407 335.52186
8205.0000 -47.20467 -46.50906 0.69562 1.71868 -46.33663 382.45939
8210.0000 -47.35929 -46.50126 0.85802 1.67386 -46.66686 332.88574
8215.0000 -47.64297 -46.70066 0.94231 1.67306 -46.67276 333.13130
8220.0000 -47.73550 -46.92759 0.80791 1.65370 -46.81544 306.32750
8225.0000 -47.58058 -46.86875 0.71183 1.65025 -46.84084 306.52288
8230.0000 -47.46869 -46.70793 0.76076 1.67099 -46.68806 320.83172
8235.0000 -47.81945 -46.58993 1.22952 1.69272 -46.52793 369.58989
8240.0000 -47.47309 -46.42876 1.04433 1.66620 -46.72335 321.46156
8245.0000 -46.98286 -46.00474 0.97813 1.73012 -46.25234 408.96490
8250.0000 -47.62387 -46.75194 0.87193 1.71896 -46.33457 382.99119
FREEZING PROCESS: loop number 34 T-loop= 350.00000000000000
main_MD> interactions number 34 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91513 -0.45503 -0.58855
force_rgl> df(natom) -0.18857 -0.47469 1.00892
8255.0000 -47.59062 -46.38811 1.20250 1.68032 -46.61926 338.75570
8260.0000 -47.35143 -46.55150 0.79992 1.69396 -46.51881 364.73283
8265.0000 -47.59995 -46.92833 0.67162 1.65768 -46.78608 320.51673
8270.0000 -47.46652 -46.61605 0.85047 1.63140 -46.97974 279.56927
8275.0000 -47.32443 -46.32488 0.99955 1.66796 -46.71040 324.61077
8280.0000 -47.44271 -46.39320 1.04951 1.71812 -46.34078 396.24090
8285.0000 -47.29628 -46.58484 0.71145 1.67391 -46.66656 333.83032
8290.0000 -47.64533 -46.90513 0.74020 1.66694 -46.71786 325.53057
8295.0000 -47.63869 -46.76297 0.87572 1.65486 -46.80691 300.99934
8300.0000 -47.41693 -46.70963 0.70729 1.65023 -46.84103 306.31074
8305.0000 -47.33376 -46.20501 1.12875 1.70151 -46.46315 362.75495
8310.0000 -47.30560 -46.28746 1.01814 1.74416 -46.14892 427.37683
8315.0000 -47.16339 -46.21250 0.95089 1.75149 -46.09489 433.61508
8320.0000 -47.03402 -46.04775 0.98627 1.73545 -46.21308 411.99268
8325.0000 -47.21892 -46.30204 0.91688 1.73613 -46.20810 414.34609
8330.0000 -47.31012 -46.48452 0.82561 1.69705 -46.49600 373.49007
8335.0000 -47.64707 -46.60018 1.04690 1.67692 -46.64438 339.97673
8340.0000 -47.68944 -46.64133 1.04812 1.67355 -46.66921 333.77081
8345.0000 -47.42179 -46.56321 0.85858 1.69140 -46.53763 367.24560
8350.0000 -47.34994 -46.60282 0.74711 1.68164 -46.60957 330.12061
8355.0000 -47.88845 -47.23175 0.65670 1.64871 -46.85220 307.73082
8360.0000 -47.67170 -46.94418 0.72753 1.62409 -47.03358 278.58967
8365.0000 -47.64484 -46.46286 1.18198 1.68096 -46.61455 368.73920
8370.0000 -47.68170 -46.63481 1.04689 1.69020 -46.54652 349.52669
8375.0000 -47.33120 -46.36086 0.97034 1.66545 -46.72886 326.67324
8380.0000 -47.68877 -46.69508 0.99369 1.67663 -46.64652 334.65448
8385.0000 -47.66974 -46.78435 0.88538 1.67793 -46.63687 339.45455
8390.0000 -47.67089 -46.92557 0.74532 1.64626 -46.87022 290.25359
8395.0000 -47.67350 -46.82351 0.84999 1.65318 -46.81927 301.90013
8400.0000 -47.62467 -46.94508 0.67958 1.63497 -46.95341 272.41644
8405.0000 -47.47293 -46.78535 0.68758 1.65165 -46.83053 303.76618
8410.0000 -47.50779 -46.40744 1.10035 1.69181 -46.53461 373.83879
8415.0000 -47.19278 -46.47192 0.72086 1.70826 -46.41346 370.67218
8420.0000 -47.65336 -46.48894 1.16442 1.71449 -46.36753 376.97871
8425.0000 -47.38066 -46.30296 1.07770 1.71984 -46.32808 401.39760
8430.0000 -47.44543 -46.25137 1.19405 1.73785 -46.19542 416.65877
8435.0000 -47.40973 -46.42955 0.98018 1.71710 -46.34829 405.90389
8440.0000 -47.83597 -46.88209 0.95388 1.66372 -46.74159 336.62497
8445.0000 -47.64129 -46.81762 0.82367 1.64884 -46.85122 318.97460
8450.0000 -47.39331 -46.52721 0.86610 1.67101 -46.68791 341.98046
8455.0000 -47.35808 -46.44592 0.91216 1.68699 -46.57012 356.95031
8460.0000 -47.58405 -46.84971 0.73434 1.67543 -46.65535 334.75869
8465.0000 -47.55337 -46.79066 0.76271 1.67864 -46.63169 348.30292
8470.0000 -47.52445 -46.47161 1.05283 1.67722 -46.64212 349.60220
8475.0000 -47.47105 -46.67363 0.79743 1.68401 -46.59213 363.05400
8480.0000 -47.56802 -46.55946 1.00856 1.67588 -46.65204 330.45480
8485.0000 -47.79631 -46.79936 0.99695 1.67828 -46.63432 346.41932
8490.0000 -47.64906 -46.46845 1.18061 1.68716 -46.56889 348.18875
8495.0000 -47.61117 -46.79236 0.81881 1.67327 -46.67127 344.34297
8500.0000 -47.44159 -46.54782 0.89378 1.66197 -46.75452 316.69629
FREEZING PROCESS: loop number 35 T-loop= 325.00000000000000
main_MD> interactions number 35 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52124 -0.03311 -0.03316
force_rgl> df(natom) 1.19550 -0.17963 0.83628
8505.0000 -47.53251 -46.35167 1.18084 1.67549 -46.65489 347.29998
8510.0000 -47.62272 -46.88636 0.73636 1.68118 -46.61294 350.35115
8515.0000 -47.72432 -46.80878 0.91554 1.65098 -46.83547 309.80663
8520.0000 -47.42212 -46.61064 0.81148 1.66823 -46.70840 322.92453
8525.0000 -47.44986 -46.77218 0.67768 1.66967 -46.69776 316.47984
8530.0000 -47.66321 -46.84203 0.82119 1.66650 -46.72114 321.54446
8535.0000 -47.42040 -46.69657 0.72384 1.64544 -46.87626 295.89773
8540.0000 -47.70895 -46.93185 0.77709 1.67269 -46.67548 323.31573
8545.0000 -47.54295 -46.92302 0.61993 1.63369 -46.96284 273.71931
8550.0000 -47.76745 -46.99808 0.76937 1.62826 -47.00291 272.54834
8555.0000 -47.45573 -46.71319 0.74254 1.66112 -46.76080 320.27269
8560.0000 -47.79391 -47.03117 0.76275 1.63773 -46.93313 286.83376
8565.0000 -47.68992 -47.01920 0.67071 1.63460 -46.95620 284.35462
8570.0000 -47.70016 -46.84023 0.85993 1.63828 -46.92905 275.57257
8575.0000 -47.23427 -46.34329 0.89099 1.65815 -46.78265 308.08808
8580.0000 -47.36185 -46.50019 0.86166 1.68712 -46.56918 351.05737
8585.0000 -47.51771 -46.60316 0.91455 1.69237 -46.53052 352.75494
8590.0000 -47.30248 -46.40214 0.90035 1.69990 -46.47499 371.82556
8595.0000 -47.26549 -46.41358 0.85191 1.70793 -46.41586 370.92366
8600.0000 -47.70447 -47.00018 0.70429 1.68719 -46.56865 347.18882
8605.0000 -47.54297 -46.74162 0.80135 1.63536 -46.95055 282.83196
8610.0000 -47.54352 -46.96056 0.58295 1.64794 -46.85786 288.04358
8615.0000 -47.36991 -46.83263 0.53728 1.64324 -46.89249 299.21449
8620.0000 -47.80831 -47.09674 0.71157 1.62079 -47.05788 266.61066
8625.0000 -47.59705 -46.72683 0.87022 1.66191 -46.75491 320.77332
8630.0000 -47.70811 -47.11790 0.59021 1.62584 -47.02071 264.43766
8635.0000 -47.50640 -46.92434 0.58206 1.62604 -47.01921 272.24691
8640.0000 -47.69989 -46.84122 0.85867 1.64065 -46.91162 287.95735
8645.0000 -47.87847 -46.97863 0.89984 1.64794 -46.85791 295.38855
8650.0000 -47.67320 -46.84482 0.82838 1.65202 -46.82779 292.42065
8655.0000 -47.74969 -46.88716 0.86253 1.63554 -46.94923 280.46250
8660.0000 -47.36135 -46.72884 0.63251 1.66589 -46.72562 318.30540
8665.0000 -47.81216 -47.02981 0.78234 1.64931 -46.84776 287.95083
8670.0000 -47.55066 -46.72189 0.82877 1.64804 -46.85710 293.58963
8675.0000 -47.41743 -46.52085 0.89658 1.67710 -46.64302 346.19032
8680.0000 -47.41156 -46.55107 0.86049 1.66980 -46.69681 313.34678
8685.0000 -47.38114 -46.61664 0.76450 1.66774 -46.71200 311.87412
8690.0000 -47.71939 -46.99092 0.72848 1.65125 -46.83349 307.58494
8695.0000 -47.48389 -46.59981 0.88408 1.64614 -46.87115 296.77829
8700.0000 -47.67086 -46.70988 0.96098 1.67236 -46.67795 323.47234
8705.0000 -47.37463 -46.66688 0.70775 1.66037 -46.76629 311.47980
8710.0000 -47.52087 -46.61693 0.90394 1.67414 -46.66485 331.41005
8715.0000 -47.64697 -46.80885 0.83813 1.66853 -46.70613 320.91440
8720.0000 -47.50064 -46.83997 0.66066 1.67289 -46.67402 331.48342
8725.0000 -47.39156 -46.42687 0.96468 1.67952 -46.62516 336.08023
8730.0000 -47.63646 -46.77489 0.86157 1.67518 -46.65717 345.99557
8735.0000 -47.39278 -46.46838 0.92440 1.70395 -46.44519 371.84427
8740.0000 -47.39712 -46.58493 0.81219 1.69979 -46.47582 369.15871
8745.0000 -47.49411 -46.40276 1.09136 1.68105 -46.61393 345.79876
8750.0000 -47.74532 -47.09234 0.65298 1.67168 -46.68295 327.74206
FREEZING PROCESS: loop number 36 T-loop= 300.00000000000000
main_MD> interactions number 36 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88035 1.16689 1.12962
force_rgl> df(natom) -0.06028 0.86819 -0.83677
8755.0000 -47.54801 -46.83946 0.70855 1.62735 -47.00959 259.20579
8760.0000 -47.58882 -46.85557 0.73325 1.63940 -46.92081 286.13648
8765.0000 -47.47545 -46.64991 0.82554 1.65524 -46.80408 321.30578
8770.0000 -47.48966 -46.95646 0.53321 1.64807 -46.85691 296.28266
8775.0000 -47.36363 -46.55240 0.81123 1.67124 -46.68623 321.40555
8780.0000 -47.73843 -46.75478 0.98365 1.64861 -46.85296 301.06143
8785.0000 -47.79108 -47.16997 0.62111 1.63833 -46.92865 296.28117
8790.0000 -47.79404 -46.97373 0.82031 1.64122 -46.90738 288.87856
8795.0000 -47.92346 -47.18636 0.73710 1.64069 -46.91127 297.53011
8800.0000 -47.68475 -46.88915 0.79560 1.63134 -46.98021 282.44040
8805.0000 -47.54054 -46.53138 1.00917 1.66169 -46.75659 318.22819
8810.0000 -47.63739 -46.91674 0.72065 1.64986 -46.84373 304.94861
8815.0000 -47.83645 -47.15913 0.67732 1.61279 -47.11684 252.30723
8820.0000 -47.77703 -46.90910 0.86792 1.61541 -47.09754 257.07442
8825.0000 -47.44833 -46.67944 0.76888 1.66046 -46.76563 324.27965
8830.0000 -47.53304 -46.78928 0.74376 1.67173 -46.68259 318.96896
8835.0000 -47.52557 -46.82809 0.69748 1.64141 -46.90599 283.81613
8840.0000 -47.66288 -46.91363 0.74925 1.64748 -46.86127 292.10411
8845.0000 -47.41226 -46.61460 0.79766 1.65577 -46.80018 304.49033
8850.0000 -47.45748 -46.54472 0.91275 1.67291 -46.67389 331.84499
8855.0000 -47.63166 -46.66509 0.96657 1.68865 -46.55790 358.26667
8860.0000 -47.44573 -46.69674 0.74899 1.65538 -46.80304 303.66835
8865.0000 -47.81380 -47.06586 0.74794 1.67694 -46.64424 340.15134
8870.0000 -47.52322 -46.74552 0.77770 1.63386 -46.96161 277.59555
8875.0000 -47.34715 -46.42842 0.91874 1.70102 -46.46681 374.34149
8880.0000 -47.53570 -46.83648 0.69922 1.65696 -46.79143 299.70225
8885.0000 -47.73307 -46.96919 0.76387 1.65234 -46.82546 297.69731
8890.0000 -47.38374 -46.44759 0.93616 1.67033 -46.69294 325.59573
8895.0000 -47.44267 -46.69232 0.75034 1.68015 -46.62058 338.52658
8900.0000 -47.46504 -46.80713 0.65791 1.64415 -46.88580 289.81529
8905.0000 -47.71350 -47.01327 0.70023 1.66301 -46.74687 317.86947
8910.0000 -47.80019 -47.05121 0.74898 1.61422 -47.10636 244.59698
8915.0000 -47.50543 -46.75703 0.74840 1.64218 -46.90034 279.38921
8920.0000 -47.81098 -46.91454 0.89644 1.65166 -46.83044 293.93864
8925.0000 -47.71119 -46.84217 0.86902 1.65729 -46.78900 321.01757
8930.0000 -47.40570 -46.71888 0.68682 1.66737 -46.71472 320.85453
8935.0000 -47.64594 -46.95428 0.69166 1.66491 -46.73282 327.11880
8940.0000 -47.44574 -46.71196 0.73378 1.65451 -46.80948 305.60650
8945.0000 -47.66566 -46.94405 0.72161 1.63611 -46.94502 279.22953
8950.0000 -47.90199 -47.08969 0.81230 1.63599 -46.94594 296.67738
8955.0000 -47.50296 -46.81599 0.68696 1.61860 -47.07403 271.31641
8960.0000 -47.41322 -46.72080 0.69242 1.65439 -46.81033 306.34926
8965.0000 -47.41910 -46.56199 0.85712 1.67570 -46.65334 351.61510
8970.0000 -47.39769 -46.76061 0.63708 1.65721 -46.78956 297.14041
8975.0000 -47.50650 -46.73883 0.76767 1.66727 -46.71546 313.56004
8980.0000 -47.85526 -47.05816 0.79710 1.63085 -46.98380 272.91835
8985.0000 -47.60665 -46.88613 0.72052 1.66055 -46.76500 315.75173
8990.0000 -47.50253 -46.76332 0.73921 1.66320 -46.74545 315.16828
8995.0000 -47.81150 -47.00800 0.80350 1.66228 -46.75219 315.71593
9000.0000 -47.76328 -46.97267 0.79060 1.62797 -47.00501 264.63206
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 47.9724369 [s].
main_MD> Deallocating global variables
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