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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_32/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_32.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 = 32 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 32 3200
main_MD> Size of nv and nvoiz: 32 3200
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 = 32
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> 3.3648867877424493E-002 -0.15797721574198675 -0.12869104371574025 initial drift of cluster / NP1 for coalescence
init> 0.33027616418869510 0.35185685313988624 0.33342475690540035 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7684952067142080E-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) 0.98471 1.72348 -1.95513
force_rgl> df(natom) 2.65059 -0.17731 -2.16277
preparo> THERMALIZATION PROCESS AT 1226.2451572024106
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -64.665724146071440 6.3324780289410727 -70.998202175012509 6.5352682008812933E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1207.0000000000000
main_MD> interactions number 1 at Temperature= 1207.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07032 -0.43156 1.98347
force_rgl> df(natom) 2.01809 -0.06868 -1.00235
5.0000 -70.55968 -65.40161 5.15807 2.94383 -64.72809 1408.93992
10.0000 -73.39458 -67.61411 5.78047 2.76184 -66.56244 1277.78348
15.0000 -72.76433 -67.39553 5.36880 2.72545 -66.92920 1238.03831
20.0000 -72.94815 -68.71251 4.23564 2.60140 -68.17957 1129.69880
25.0000 -71.85182 -66.72306 5.12876 2.70139 -67.17165 1218.83620
30.0000 -72.77853 -67.42088 5.35765 2.71416 -67.04297 1276.82848
35.0000 -71.14670 -65.58985 5.55685 2.72382 -66.94559 1277.81406
40.0000 -72.10801 -67.63676 4.47124 2.70387 -67.14667 1206.68325
45.0000 -71.14405 -66.46159 4.68246 2.70300 -67.15542 1212.65354
50.0000 -73.21186 -69.12574 4.08613 2.67722 -67.41532 1175.00978
55.0000 -73.13383 -68.27673 4.85710 2.53206 -68.87845 1077.82645
60.0000 -72.55401 -67.73150 4.82251 2.65565 -67.63270 1150.56122
65.0000 -72.33987 -68.23490 4.10497 2.68776 -67.30904 1190.19399
70.0000 -72.78332 -67.64076 5.14256 2.66580 -67.53038 1207.35734
75.0000 -72.51696 -67.23025 5.28671 2.70124 -67.17321 1174.16981
80.0000 -71.99118 -66.69855 5.29263 2.74290 -66.75325 1295.54048
85.0000 -72.16597 -67.65233 4.51364 2.61448 -68.04773 1053.94538
90.0000 -71.31935 -65.95248 5.36687 2.68168 -67.37035 1263.41998
95.0000 -72.67997 -68.24370 4.43627 2.73332 -66.84982 1254.42617
100.0000 -71.52747 -66.01217 5.51530 2.71194 -67.06531 1250.69080
105.0000 -71.68359 -63.72368 7.95992 2.84460 -65.72822 1383.45442
110.0000 -70.03805 -65.08889 4.94916 3.02686 -63.89118 1474.38171
115.0000 -74.09464 -69.05355 5.04110 2.69556 -67.23045 1268.32109
120.0000 -72.35089 -66.67361 5.67728 2.62485 -67.94318 1130.26192
125.0000 -72.15485 -67.59566 4.55918 2.65670 -67.62218 1140.10404
130.0000 -71.86995 -67.13475 4.73520 2.67418 -67.44595 1146.36949
135.0000 -71.59916 -67.50124 4.09792 2.69035 -67.28293 1210.61006
140.0000 -71.09259 -67.50697 3.58563 2.64661 -67.72389 1192.03909
145.0000 -72.85251 -66.65927 6.19323 2.73945 -66.78806 1255.27328
150.0000 -72.87037 -67.79069 5.07969 2.70582 -67.12701 1204.92855
155.0000 -72.35301 -67.08203 5.27098 2.64704 -67.71955 1139.30472
160.0000 -71.66925 -66.60310 5.06615 2.79021 -66.27644 1320.88403
165.0000 -73.75920 -68.47544 5.28376 2.68537 -67.33321 1220.60244
170.0000 -72.75596 -68.71371 4.04225 2.55995 -68.59733 1074.80396
175.0000 -72.19643 -67.15511 5.04132 2.57758 -68.41963 1113.11808
180.0000 -71.24019 -64.21977 7.02042 2.78664 -66.31246 1292.73535
185.0000 -71.88037 -67.59335 4.28703 2.90354 -65.13412 1430.61183
190.0000 -72.57201 -66.37461 6.19739 2.67849 -67.40254 1255.10094
195.0000 -71.11227 -65.94222 5.17005 2.78513 -66.32766 1296.02129
200.0000 -72.89308 -68.13521 4.75788 2.77286 -66.45128 1251.17691
205.0000 -73.44232 -68.63580 4.80652 2.53090 -68.89015 1066.58898
210.0000 -73.40406 -68.84410 4.55996 2.49553 -69.24662 1040.05858
215.0000 -74.23715 -70.28350 3.95365 2.50888 -69.11209 1037.00803
220.0000 -73.04126 -69.46454 3.57672 2.44914 -69.71417 983.11419
225.0000 -72.65811 -67.89531 4.76279 2.57917 -68.40357 1093.80431
230.0000 -72.50963 -66.84178 5.66785 2.74603 -66.72179 1236.73412
235.0000 -72.29938 -67.69727 4.60210 2.72227 -66.96126 1238.35210
240.0000 -72.60489 -67.06712 5.53777 2.71224 -67.06234 1255.47940
245.0000 -73.70358 -68.45578 5.24780 2.64006 -67.78983 1159.66734
250.0000 -71.11239 -64.71363 6.39875 2.74816 -66.70025 1226.64450
FREEZING PROCESS: loop number 2 T-loop= 1182.0000000000000
main_MD> interactions number 2 at Temperature= 1182.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01816 5.59380 0.97998
force_rgl> df(natom) -1.78983 3.83120 1.65798
255.0000 -71.84700 -66.53578 5.31122 2.84568 -65.71736 1312.30824
260.0000 -73.58659 -66.60018 6.98641 2.81167 -66.06009 1335.85832
265.0000 -72.02971 -66.53713 5.49259 2.72557 -66.92795 1295.36834
270.0000 -71.54017 -66.87288 4.66728 2.73704 -66.81235 1183.65205
275.0000 -71.70333 -66.03354 5.66979 2.75359 -66.64553 1260.01377
280.0000 -71.11061 -66.54589 4.56472 2.84334 -65.74096 1338.96074
285.0000 -71.04666 -65.53024 5.51642 2.90462 -65.12330 1343.26414
290.0000 -71.90174 -66.25135 5.65039 2.83932 -65.78142 1345.94089
295.0000 -71.90858 -67.10765 4.80093 2.73235 -66.85965 1177.57805
300.0000 -71.76550 -66.31545 5.45004 2.75903 -66.59068 1299.53858
305.0000 -71.96800 -66.41679 5.55121 2.74723 -66.70967 1272.21809
310.0000 -71.06985 -65.52927 5.54058 2.75641 -66.61712 1303.71194
315.0000 -71.80732 -65.91551 5.89181 2.75337 -66.64776 1297.81800
320.0000 -71.91152 -66.88255 5.02898 2.70937 -67.09127 1259.83182
325.0000 -72.33332 -67.20208 5.13124 2.68912 -67.29538 1234.29667
330.0000 -72.61373 -66.13722 6.47652 2.70642 -67.12101 1208.71997
335.0000 -71.98289 -66.02691 5.95598 2.76015 -66.57946 1273.27052
340.0000 -70.04902 -65.64314 4.40588 2.81321 -66.04458 1334.73632
345.0000 -71.09583 -65.35007 5.74576 2.89338 -65.23656 1336.89611
350.0000 -72.75701 -67.69481 5.06220 2.84588 -65.71529 1365.05457
355.0000 -73.58884 -69.29418 4.29466 2.56589 -68.53748 1070.87028
360.0000 -73.35036 -68.96394 4.38642 2.49955 -69.20609 1007.13811
365.0000 -72.22786 -68.47725 3.75061 2.51746 -69.02556 1019.14185
370.0000 -72.93515 -67.53987 5.39528 2.67612 -67.42638 1188.55632
375.0000 -71.92723 -66.00656 5.92066 2.70907 -67.09430 1249.65380
380.0000 -72.60678 -66.01304 6.59374 2.77155 -66.46455 1288.64920
385.0000 -72.53214 -67.07351 5.45864 2.72556 -66.92809 1224.29230
390.0000 -73.47335 -68.18059 5.29276 2.57030 -68.49298 1140.42115
395.0000 -71.29781 -66.57067 4.72714 2.63155 -67.87566 1157.87026
400.0000 -72.07299 -66.07119 6.00179 2.71144 -67.07041 1275.25558
405.0000 -71.47503 -66.37910 5.09593 2.81329 -66.04379 1370.21640
410.0000 -73.22058 -68.88155 4.33903 2.57843 -68.41101 1107.55210
415.0000 -71.70394 -67.77396 3.92998 2.60298 -68.16364 1076.06292
420.0000 -73.10588 -67.94441 5.16147 2.53467 -68.85209 1045.50722
425.0000 -70.74665 -66.17623 4.57042 2.69422 -67.24399 1228.59246
430.0000 -70.28213 -64.84095 5.44118 2.84622 -65.71186 1354.10915
435.0000 -71.33543 -66.03363 5.30181 2.84168 -65.75767 1302.10439
440.0000 -71.34356 -65.90917 5.43440 2.82273 -65.94865 1291.99531
445.0000 -71.23318 -66.67013 4.56305 2.79341 -66.24420 1356.28819
450.0000 -71.81468 -65.54473 6.26995 2.76726 -66.50776 1249.65587
455.0000 -72.23106 -68.28480 3.94627 2.66202 -67.56849 1185.45142
460.0000 -72.21289 -67.73198 4.48092 2.60678 -68.12527 1114.44290
465.0000 -73.02128 -68.04856 4.97272 2.63229 -67.86818 1161.11455
470.0000 -72.42311 -68.22583 4.19728 2.56713 -68.52493 1085.30817
475.0000 -72.96501 -68.12177 4.84324 2.68477 -67.33919 1285.27629
480.0000 -74.07813 -69.11188 4.96625 2.51968 -69.00324 1062.08082
485.0000 -73.17058 -68.88421 4.28636 2.50866 -69.11426 1099.46423
490.0000 -71.21034 -66.67695 4.53339 2.61508 -68.04165 1099.20200
495.0000 -71.40434 -66.38962 5.01471 2.73321 -66.85097 1160.05515
500.0000 -72.41149 -66.89076 5.52072 2.79420 -66.23626 1275.95810
FREEZING PROCESS: loop number 3 T-loop= 1157.0000000000000
main_MD> interactions number 3 at Temperature= 1157.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03877 -2.01298 -4.29903
force_rgl> df(natom) 1.34311 -1.68156 3.92926
505.0000 -72.72363 -67.81159 4.91204 2.59799 -68.21393 1152.79601
510.0000 -72.69103 -67.43134 5.25969 2.63925 -67.79800 1181.40482
515.0000 -72.77830 -69.04044 3.73786 2.54030 -68.79541 1126.03400
520.0000 -71.81595 -67.21087 4.60508 2.62220 -67.96989 1143.20327
525.0000 -72.08755 -66.25021 5.83734 2.68099 -67.37729 1246.72009
530.0000 -71.13204 -66.64376 4.48828 2.73571 -66.82578 1245.78720
535.0000 -72.98729 -68.26023 4.72707 2.72192 -66.96477 1279.30749
540.0000 -72.06776 -67.46386 4.60390 2.54543 -68.74370 1062.54590
545.0000 -73.02329 -68.69863 4.32465 2.64575 -67.73249 1129.39935
550.0000 -72.67291 -67.72603 4.94689 2.53558 -68.84294 1115.51537
555.0000 -72.36375 -67.73572 4.62803 2.68433 -67.34362 1182.45743
560.0000 -71.64675 -66.87729 4.76946 2.75587 -66.62255 1260.30595
565.0000 -71.96340 -67.30589 4.65751 2.72845 -66.89896 1178.53421
570.0000 -73.20150 -68.78287 4.41864 2.64948 -67.69494 1204.95930
575.0000 -71.23039 -66.93486 4.29553 2.64606 -67.72938 1172.44623
580.0000 -73.23197 -68.86029 4.37168 2.60954 -68.09746 1157.64884
585.0000 -73.09292 -69.34829 3.74462 2.55663 -68.63083 1056.35826
590.0000 -72.35513 -67.88976 4.46536 2.48632 -69.33944 1040.33770
595.0000 -72.26939 -67.10286 5.16653 2.76426 -66.53805 1288.46972
600.0000 -71.82192 -67.28537 4.53655 2.62615 -67.93011 1094.39155
605.0000 -72.61242 -68.58500 4.02742 2.57054 -68.49054 1044.86344
610.0000 -73.91722 -69.45046 4.46676 2.52215 -68.97833 1053.07017
615.0000 -72.72387 -67.73416 4.98971 2.58760 -68.31866 1085.70328
620.0000 -72.69012 -68.89927 3.79086 2.66837 -67.50447 1177.18970
625.0000 -71.96688 -67.21701 4.74987 2.63952 -67.79526 1149.64429
630.0000 -71.86664 -68.43164 3.43500 2.65326 -67.65684 1175.16944
635.0000 -73.31475 -67.52938 5.78537 2.64365 -67.75371 1150.79688
640.0000 -72.16642 -67.66144 4.50499 2.59632 -68.23073 1152.76224
645.0000 -71.97630 -66.23854 5.73777 2.75937 -66.58725 1268.74576
650.0000 -72.93433 -68.77640 4.15792 2.64768 -67.71310 1186.44465
655.0000 -73.24220 -69.67675 3.56545 2.51241 -69.07648 1026.07767
660.0000 -73.01347 -68.02647 4.98700 2.56059 -68.59091 1089.22673
665.0000 -73.57893 -69.04641 4.53252 2.63304 -67.86059 1203.06441
670.0000 -72.54569 -67.33034 5.21535 2.56842 -68.51196 1133.77455
675.0000 -72.39384 -67.14868 5.24516 2.63033 -67.88792 1096.49706
680.0000 -72.42616 -68.10430 4.32186 2.70627 -67.12253 1248.85494
685.0000 -73.05362 -69.30602 3.74759 2.49944 -69.20721 1019.67025
690.0000 -72.66190 -68.37954 4.28236 2.54038 -68.79459 1064.04288
695.0000 -73.52477 -68.53504 4.98973 2.60964 -68.09646 1181.04182
700.0000 -73.83769 -69.89316 3.94453 2.55985 -68.59833 1069.04835
705.0000 -71.93782 -68.02662 3.91119 2.55859 -68.61101 1061.23471
710.0000 -71.59175 -65.86388 5.72786 2.67018 -67.48627 1165.82151
715.0000 -72.33764 -66.94951 5.38814 2.75015 -66.68020 1244.84430
720.0000 -72.95492 -68.25692 4.69799 2.65881 -67.60086 1170.26388
725.0000 -71.46108 -67.80997 3.65110 2.49983 -69.20334 1057.67504
730.0000 -73.98419 -67.35247 6.63172 2.67666 -67.42100 1203.23302
735.0000 -73.07383 -68.18575 4.88809 2.68406 -67.34637 1220.09990
740.0000 -71.39946 -66.62186 4.77760 2.69719 -67.21403 1237.21209
745.0000 -72.31353 -68.52395 3.78958 2.70128 -67.17283 1205.84161
750.0000 -72.17026 -67.26096 4.90930 2.63159 -67.87523 1125.42484
FREEZING PROCESS: loop number 4 T-loop= 1132.0000000000000
main_MD> interactions number 4 at Temperature= 1132.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37048 -2.00429 0.31016
force_rgl> df(natom) -1.68583 -2.47410 2.42480
755.0000 -72.06782 -66.98210 5.08572 2.70826 -67.10246 1259.45605
760.0000 -71.06220 -66.83029 4.23191 2.71061 -67.07874 1235.67239
765.0000 -73.31138 -68.56818 4.74320 2.64474 -67.74273 1170.26122
770.0000 -73.06606 -67.83502 5.23104 2.66124 -67.57643 1160.64180
775.0000 -72.39532 -68.02381 4.37151 2.58598 -68.33493 1091.31436
780.0000 -72.18137 -67.37965 4.80172 2.66909 -67.49730 1259.58639
785.0000 -69.79660 -64.55553 5.24107 2.79734 -66.20461 1254.63915
790.0000 -70.50542 -66.03379 4.47163 2.90598 -65.10960 1332.51091
795.0000 -71.72659 -64.81134 6.91525 2.86300 -65.54280 1343.85651
800.0000 -72.15504 -67.44265 4.71239 2.81447 -66.03197 1234.37079
805.0000 -72.95233 -67.40571 5.54662 2.65550 -67.63422 1181.84316
810.0000 -70.97316 -66.92985 4.04331 2.69093 -67.27709 1126.13401
815.0000 -72.19960 -68.09412 4.10548 2.70234 -67.16210 1222.95128
820.0000 -72.20653 -67.12063 5.08590 2.69173 -67.26905 1275.60037
825.0000 -71.64011 -66.43654 5.20357 2.73275 -66.85565 1223.64736
830.0000 -73.14982 -67.39830 5.75152 2.71771 -67.00715 1194.05093
835.0000 -71.91252 -67.01555 4.89696 2.67219 -67.46602 1209.77091
840.0000 -70.47352 -65.27408 5.19944 2.77601 -66.41959 1306.67606
845.0000 -72.61540 -67.03579 5.57961 2.73173 -66.86592 1211.82088
850.0000 -74.55381 -70.40043 4.15337 2.52582 -68.94134 1048.96656
855.0000 -73.01920 -68.40007 4.61912 2.46410 -69.56346 1046.69360
860.0000 -72.14736 -67.11562 5.03174 2.72143 -66.96973 1217.80427
865.0000 -73.08075 -67.66680 5.41395 2.74212 -66.76118 1227.24717
870.0000 -71.14976 -66.39323 4.75653 2.69104 -67.27607 1204.76359
875.0000 -73.06711 -68.95303 4.11408 2.69158 -67.27056 1214.39938
880.0000 -72.49011 -68.58318 3.90694 2.52965 -68.90275 1035.94303
885.0000 -73.05414 -69.08326 3.97088 2.53116 -68.88755 1071.43419
890.0000 -72.45309 -68.11983 4.33326 2.61769 -68.01530 1142.62180
895.0000 -71.59276 -67.41828 4.17448 2.61015 -68.09135 1074.63090
900.0000 -72.77954 -66.87358 5.90595 2.71109 -67.07394 1162.70038
905.0000 -71.61296 -67.55444 4.05853 2.63566 -67.83417 1135.23137
910.0000 -73.09347 -67.34125 5.75223 2.75101 -66.67160 1249.06756
915.0000 -72.91729 -68.32860 4.58869 2.63759 -67.81478 1184.33677
920.0000 -72.15948 -67.97490 4.18458 2.58529 -68.34193 1140.21916
925.0000 -74.68601 -69.10004 5.58598 2.57081 -68.48786 1139.66907
930.0000 -73.85206 -68.95550 4.89657 2.54908 -68.70692 1119.25397
935.0000 -73.85823 -69.61451 4.24372 2.48781 -69.32447 1050.19165
940.0000 -74.00617 -69.19438 4.81179 2.46711 -69.53309 984.03409
945.0000 -73.87758 -68.68647 5.19111 2.55984 -68.59847 1046.68498
950.0000 -73.83566 -69.59772 4.23794 2.45419 -69.66327 1074.97115
955.0000 -72.74957 -67.93777 4.81180 2.53567 -68.84209 1054.12100
960.0000 -73.31282 -68.20237 5.11045 2.63136 -67.87757 1130.65871
965.0000 -73.42057 -69.09681 4.32376 2.54225 -68.77568 1049.86708
970.0000 -74.67904 -70.95183 3.72720 2.42871 -69.92014 983.96203
975.0000 -71.57616 -67.46877 4.10739 2.55371 -68.66024 1033.77193
980.0000 -71.27968 -66.04065 5.23903 2.70009 -67.18479 1193.30008
985.0000 -71.72650 -66.23950 5.48701 2.82030 -65.97318 1289.86375
990.0000 -72.34770 -67.72414 4.62355 2.73769 -66.80579 1213.32514
995.0000 -72.24342 -67.79549 4.44793 2.67534 -67.43431 1162.25162
1000.0000 -73.76007 -69.74730 4.01278 2.54444 -68.75369 1017.88518
FREEZING PROCESS: loop number 5 T-loop= 1107.0000000000000
main_MD> interactions number 5 at Temperature= 1107.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44615 3.39784 -1.32187
force_rgl> df(natom) 0.93894 -1.75759 0.40529
1005.0000 -73.85221 -68.78775 5.06446 2.47415 -69.46209 1005.17542
1010.0000 -73.91050 -69.86443 4.04607 2.54973 -68.70029 1088.84050
1015.0000 -71.91788 -68.11166 3.80623 2.61394 -68.05313 1152.33033
1020.0000 -74.40106 -70.57840 3.82266 2.48479 -69.35484 1051.18725
1025.0000 -73.27850 -69.32034 3.95815 2.42459 -69.96165 993.75973
1030.0000 -74.31435 -69.59925 4.71510 2.39713 -70.23848 933.00272
1035.0000 -72.77150 -67.95748 4.81402 2.53777 -68.82093 1073.65284
1040.0000 -73.18672 -68.42004 4.76668 2.62606 -67.93096 1165.85815
1045.0000 -73.26358 -69.09126 4.17232 2.60093 -68.18428 1099.28273
1050.0000 -71.75361 -67.53007 4.22354 2.64780 -67.71188 1154.27109
1055.0000 -72.87891 -68.99140 3.88751 2.64757 -67.71414 1181.39989
1060.0000 -74.11936 -69.98479 4.13457 2.48057 -69.39739 966.88347
1065.0000 -72.14076 -67.39551 4.74525 2.53875 -68.81098 1060.98137
1070.0000 -72.24758 -67.63413 4.61345 2.61001 -68.09270 1169.95826
1075.0000 -71.43146 -66.33805 5.09341 2.75254 -66.65614 1243.04939
1080.0000 -70.09611 -65.16327 4.93284 2.83253 -65.84984 1303.39062
1085.0000 -71.09930 -65.95411 5.14519 2.79002 -66.27837 1306.10361
1090.0000 -72.98089 -68.29214 4.68875 2.70489 -67.13640 1190.70324
1095.0000 -73.47168 -70.07192 3.39976 2.50702 -69.13080 1031.27215
1100.0000 -74.42114 -70.68020 3.74094 2.39870 -70.22262 925.47957
1105.0000 -74.01047 -69.47346 4.53701 2.39951 -70.21449 938.43654
1110.0000 -73.85832 -69.36157 4.49675 2.48012 -69.40191 1048.02935
1115.0000 -72.33188 -67.94614 4.38574 2.49421 -69.25991 1018.77260
1120.0000 -72.48665 -67.88701 4.59964 2.63944 -67.79612 1160.16403
1125.0000 -72.65775 -67.90151 4.75624 2.60751 -68.11798 1088.32551
1130.0000 -70.96700 -65.47180 5.49520 2.75867 -66.59432 1257.95663
1135.0000 -72.20487 -68.13830 4.06657 2.77793 -66.40021 1251.50827
1140.0000 -74.06085 -68.18514 5.87571 2.61808 -68.01141 1140.44645
1145.0000 -73.41995 -68.84988 4.57007 2.57278 -68.46804 1100.16079
1150.0000 -74.17977 -69.94767 4.23210 2.55824 -68.61458 1093.76680
1155.0000 -71.92051 -67.37852 4.54198 2.55516 -68.64558 1081.30626
1160.0000 -72.95859 -67.38667 5.57192 2.64482 -67.74185 1177.82899
1165.0000 -72.66947 -68.00739 4.66208 2.63166 -67.87453 1186.83796
1170.0000 -71.91393 -67.53893 4.37500 2.56011 -68.59567 1123.86018
1175.0000 -73.27222 -67.74708 5.52514 2.62662 -67.92534 1133.57024
1180.0000 -72.14790 -67.58608 4.56182 2.65922 -67.59670 1173.28016
1185.0000 -73.25057 -68.22996 5.02061 2.64329 -67.75729 1163.56994
1190.0000 -72.72753 -67.60186 5.12567 2.66048 -67.58405 1203.36166
1195.0000 -73.45512 -69.30061 4.15451 2.57108 -68.48513 1156.07994
1200.0000 -72.69327 -68.04641 4.64686 2.56512 -68.54516 1087.68207
1205.0000 -73.21097 -68.58378 4.62719 2.57459 -68.44972 1091.98262
1210.0000 -74.33382 -69.53401 4.79981 2.46224 -69.58220 1018.32121
1215.0000 -71.86275 -68.78547 3.07729 2.53575 -68.84128 1040.42507
1220.0000 -73.17735 -69.88310 3.29426 2.50702 -69.13078 1051.06520
1225.0000 -74.87194 -71.66112 3.21082 2.30552 -71.16181 859.25099
1230.0000 -74.82326 -70.50758 4.31568 2.34486 -70.76531 904.58990
1235.0000 -73.90059 -69.61898 4.28161 2.37590 -70.45238 939.87382
1240.0000 -74.27579 -70.17411 4.10168 2.45967 -69.60804 994.94658
1245.0000 -74.20991 -69.30528 4.90463 2.46168 -69.58784 1026.24039
1250.0000 -72.61087 -67.49651 5.11436 2.56646 -68.53174 1134.49939
FREEZING PROCESS: loop number 6 T-loop= 1082.0000000000000
main_MD> interactions number 6 at Temperature= 1082.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16166 2.67643 -1.26716
force_rgl> df(natom) -0.46797 -5.76583 1.63194
1255.0000 -73.40295 -69.72907 3.67388 2.54815 -68.71626 1063.45966
1260.0000 -73.64516 -69.47923 4.16593 2.50628 -69.13829 1032.69140
1265.0000 -73.77868 -69.21349 4.56518 2.46414 -69.56298 1008.04049
1270.0000 -74.61471 -70.85020 3.76450 2.41924 -70.01555 995.59553
1275.0000 -73.98237 -69.92254 4.05983 2.39876 -70.22203 934.33579
1280.0000 -71.78913 -68.00111 3.78802 2.59531 -68.24087 1063.67043
1285.0000 -72.28831 -68.54741 3.74090 2.52923 -68.90694 1024.04587
1290.0000 -73.19164 -68.62883 4.56281 2.64580 -67.73197 1151.56174
1295.0000 -73.49744 -69.17042 4.32702 2.55963 -68.60052 1100.82666
1300.0000 -74.15407 -69.51286 4.64120 2.51721 -69.02812 1073.41268
1305.0000 -73.04115 -69.87341 3.16774 2.47687 -69.43468 1019.23241
1310.0000 -72.00853 -67.47984 4.52869 2.58957 -68.29875 1117.89883
1315.0000 -73.74660 -69.94502 3.80157 2.51095 -69.09121 1100.21741
1320.0000 -73.97541 -69.29381 4.68160 2.44913 -69.71429 1034.75226
1325.0000 -73.79593 -70.17875 3.61717 2.49353 -69.26683 980.97367
1330.0000 -74.02759 -69.62147 4.40613 2.41404 -70.06800 944.90807
1335.0000 -74.10849 -70.06661 4.04188 2.48763 -69.32630 1012.75657
1340.0000 -74.49184 -70.14282 4.34901 2.43667 -69.83989 939.19975
1345.0000 -73.63856 -69.46993 4.16864 2.43852 -69.82129 978.26326
1350.0000 -73.14122 -69.59458 3.54664 2.47891 -69.41417 1023.66828
1355.0000 -72.65066 -67.17175 5.47891 2.60144 -68.17909 1111.70250
1360.0000 -72.42146 -67.02019 5.40128 2.71342 -67.05045 1219.17663
1365.0000 -72.12398 -67.12526 4.99872 2.71480 -67.03657 1242.57275
1370.0000 -72.59986 -68.17935 4.42050 2.64851 -67.70474 1151.52586
1375.0000 -72.98380 -68.01554 4.96825 2.55562 -68.64099 1099.00882
1380.0000 -72.48695 -67.38416 5.10279 2.64183 -67.77205 1200.68585
1385.0000 -72.79791 -68.59098 4.20693 2.61803 -68.01189 1122.14480
1390.0000 -72.60331 -68.06599 4.53732 2.57117 -68.48425 1082.04542
1395.0000 -72.79722 -68.37327 4.42395 2.63657 -67.82507 1187.73235
1400.0000 -74.01612 -69.36841 4.64771 2.47710 -69.43242 1015.65792
1405.0000 -74.03392 -70.50662 3.52730 2.47802 -69.42311 1022.00626
1410.0000 -72.95078 -68.72220 4.22858 2.47985 -69.40471 1034.89578
1415.0000 -73.22795 -68.28179 4.94616 2.61350 -68.05756 1128.77305
1420.0000 -71.62647 -68.45704 3.16944 2.51781 -69.02211 1018.42006
1425.0000 -72.80813 -68.90124 3.90690 2.54381 -68.76001 1018.60464
1430.0000 -72.95615 -69.31650 3.63965 2.54113 -68.78705 1094.65295
1435.0000 -73.37676 -69.55642 3.82034 2.54814 -68.71638 1114.62241
1440.0000 -72.07383 -67.42437 4.64946 2.50130 -69.18844 1025.23517
1445.0000 -72.65710 -67.61520 5.04190 2.70283 -67.15720 1184.32939
1450.0000 -73.01334 -68.20988 4.80346 2.65434 -67.64590 1140.02983
1455.0000 -72.42260 -69.13262 3.28998 2.48092 -69.39392 1027.05804
1460.0000 -72.45679 -67.80179 4.65500 2.52699 -68.92958 1043.32362
1465.0000 -71.14134 -65.91522 5.22611 2.73381 -66.84492 1233.06282
1470.0000 -72.75681 -68.33250 4.42431 2.72072 -66.97687 1214.74283
1475.0000 -71.82964 -67.08294 4.74671 2.62992 -67.89204 1083.98638
1480.0000 -71.52304 -67.87629 3.64674 2.72917 -66.89174 1142.99993
1485.0000 -72.79869 -67.37746 5.42123 2.67724 -67.41515 1162.99148
1490.0000 -73.31824 -68.47260 4.84564 2.58962 -68.29831 1095.73139
1495.0000 -71.05874 -66.84528 4.21346 2.65458 -67.64353 1156.36266
1500.0000 -72.97657 -69.23010 3.74646 2.61087 -68.08411 1094.01187
FREEZING PROCESS: loop number 7 T-loop= 1057.0000000000000
main_MD> interactions number 7 at Temperature= 1057.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59385 -1.46421 -0.13913
force_rgl> df(natom) -0.90364 0.95626 4.37330
1505.0000 -73.63331 -69.70411 3.92920 2.49491 -69.25292 1022.23091
1510.0000 -74.75883 -69.61302 5.14582 2.40015 -70.20805 923.47672
1515.0000 -72.25912 -67.78717 4.47195 2.56837 -68.51240 1049.26260
1520.0000 -72.14108 -68.07939 4.06170 2.62466 -67.94504 1132.50914
1525.0000 -73.76397 -70.07287 3.69111 2.54317 -68.76641 1076.91455
1530.0000 -73.92085 -69.77048 4.15037 2.47049 -69.49903 1008.20377
1535.0000 -75.51251 -70.22481 5.28770 2.43644 -69.84227 1010.44650
1540.0000 -73.28030 -69.35734 3.92297 2.43755 -69.83103 982.39911
1545.0000 -73.15363 -68.87811 4.27552 2.51353 -69.06516 1020.76153
1550.0000 -74.29169 -69.91257 4.37913 2.47680 -69.43541 1018.00926
1555.0000 -74.36391 -70.01974 4.34417 2.40131 -70.19635 925.48961
1560.0000 -75.53282 -72.81075 2.72207 2.32853 -70.92987 933.17536
1565.0000 -75.56427 -72.28922 3.27504 2.19782 -72.24739 811.89468
1570.0000 -73.51880 -70.41204 3.10676 2.31120 -71.10453 886.81111
1575.0000 -74.48541 -70.74380 3.74161 2.39828 -70.22682 976.01073
1580.0000 -74.23549 -69.74723 4.48826 2.34422 -70.77176 908.97836
1585.0000 -72.81185 -68.64343 4.16842 2.43716 -69.83502 992.76199
1590.0000 -73.45066 -68.95109 4.49956 2.62283 -67.96349 1123.36783
1595.0000 -72.84415 -68.45018 4.39397 2.54511 -68.74687 1093.65876
1600.0000 -73.33859 -67.37108 5.96751 2.58942 -68.30026 1112.07352
1605.0000 -72.37114 -68.41391 3.95723 2.54980 -68.69963 1069.41923
1610.0000 -73.62123 -69.02071 4.60052 2.48727 -69.32986 970.96355
1615.0000 -72.96191 -68.44815 4.51376 2.54783 -68.71949 1080.92460
1620.0000 -73.78854 -69.03379 4.75475 2.56815 -68.51465 1085.20654
1625.0000 -73.64427 -68.35280 5.29147 2.55115 -68.68602 1036.32907
1630.0000 -72.46096 -65.63089 6.83008 2.75764 -66.60469 1213.23367
1635.0000 -72.56120 -68.07808 4.48312 2.74545 -66.72757 1273.27314
1640.0000 -73.45972 -68.55688 4.90284 2.53448 -68.85406 1070.51342
1645.0000 -74.15195 -68.59539 5.55656 2.53333 -68.86563 1041.83207
1650.0000 -72.37548 -68.20684 4.16864 2.56898 -68.50632 1137.54309
1655.0000 -72.87538 -68.97529 3.90010 2.57641 -68.43137 1087.25359
1660.0000 -74.06079 -69.55404 4.50675 2.48826 -69.31992 1005.14913
1665.0000 -74.98050 -71.34422 3.63628 2.36512 -70.56113 922.86111
1670.0000 -73.53862 -69.42180 4.11682 2.40008 -70.20875 953.70131
1675.0000 -73.18366 -69.01850 4.16516 2.49972 -69.20444 1018.61422
1680.0000 -74.25897 -69.68528 4.57369 2.42604 -69.94709 954.57415
1685.0000 -73.96377 -68.62630 5.33747 2.50165 -69.18494 1014.61046
1690.0000 -73.81990 -69.79400 4.02591 2.48813 -69.32122 1054.50068
1695.0000 -73.27913 -68.94609 4.33305 2.47283 -69.47542 1027.38223
1700.0000 -72.97576 -68.54279 4.43297 2.54699 -68.72791 1081.00779
1705.0000 -74.13470 -68.79670 5.33800 2.54331 -68.76506 1114.46229
1710.0000 -73.65778 -69.23225 4.42552 2.49918 -69.20985 1067.07650
1715.0000 -73.76082 -68.55618 5.20464 2.58714 -68.32324 1077.73666
1720.0000 -73.14878 -69.86146 3.28732 2.52998 -68.89942 1080.05300
1725.0000 -73.11720 -68.83178 4.28542 2.44707 -69.73510 895.29646
1730.0000 -72.74925 -68.52803 4.22122 2.49700 -69.23186 1030.56321
1735.0000 -73.68666 -68.53488 5.15177 2.55993 -68.59750 1094.56455
1740.0000 -71.68656 -67.02403 4.66254 2.64167 -67.77360 1185.85350
1745.0000 -73.71698 -68.82720 4.88978 2.58926 -68.30192 1129.49004
1750.0000 -73.31631 -69.45483 3.86148 2.44538 -69.75213 1030.49740
FREEZING PROCESS: loop number 8 T-loop= 1032.0000000000000
main_MD> interactions number 8 at Temperature= 1032.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.07507 0.39393 -2.51526
force_rgl> df(natom) -1.04117 -0.26200 -4.15479
1755.0000 -73.30286 -69.02016 4.28270 2.43566 -69.85013 980.54910
1760.0000 -73.64418 -69.73740 3.90678 2.48853 -69.31714 1031.92503
1765.0000 -73.48847 -69.68061 3.80785 2.50291 -69.17229 985.99320
1770.0000 -72.91816 -69.01450 3.90366 2.47540 -69.44957 932.11584
1775.0000 -72.32366 -67.02850 5.29516 2.66720 -67.51632 1183.17245
1780.0000 -73.83802 -69.42467 4.41335 2.60884 -68.10451 1162.47194
1785.0000 -73.03702 -69.36553 3.67149 2.51494 -69.05102 1063.68275
1790.0000 -72.80418 -68.13630 4.66789 2.54252 -68.77296 1064.32347
1795.0000 -74.19086 -70.82924 3.36162 2.42886 -69.91861 958.52613
1800.0000 -74.71420 -69.96304 4.75117 2.34381 -70.77591 919.12872
1805.0000 -72.67276 -69.00931 3.66346 2.48091 -69.39395 1002.01306
1810.0000 -73.47397 -68.50977 4.96420 2.54806 -68.71716 1043.89282
1815.0000 -74.82813 -70.27676 4.55137 2.40428 -70.16635 990.12952
1820.0000 -73.11921 -69.10095 4.01827 2.47047 -69.49918 1019.05745
1825.0000 -73.95028 -69.89689 4.05339 2.46487 -69.55570 1013.98455
1830.0000 -73.75891 -69.29181 4.46709 2.52156 -68.98429 1050.18406
1835.0000 -74.70284 -69.27392 5.42892 2.43720 -69.83457 968.58022
1840.0000 -72.10574 -67.80704 4.29870 2.56489 -68.54753 1137.92671
1845.0000 -71.66893 -67.61682 4.05211 2.63504 -67.84045 1125.07920
1850.0000 -73.07265 -69.27290 3.79975 2.57903 -68.40504 1106.49406
1855.0000 -73.66379 -70.20804 3.45575 2.38725 -70.33807 906.51260
1860.0000 -74.07806 -70.37236 3.70570 2.35356 -70.67759 916.56810
1865.0000 -71.78209 -68.42512 3.35697 2.48285 -69.37447 1028.83736
1870.0000 -73.65471 -69.65083 4.00388 2.45572 -69.64786 959.01948
1875.0000 -74.97086 -71.20134 3.76953 2.42173 -69.99048 995.86305
1880.0000 -72.94089 -70.28213 2.65876 2.40733 -70.13559 952.13866
1885.0000 -74.12572 -69.38757 4.73815 2.46393 -69.56514 992.32465
1890.0000 -74.29532 -69.86069 4.43463 2.52426 -68.95704 1081.89715
1895.0000 -74.80053 -70.94612 3.85441 2.35263 -70.68700 882.90790
1900.0000 -74.67766 -71.05549 3.62217 2.37322 -70.47942 913.03535
1905.0000 -72.99483 -68.65625 4.33858 2.43708 -69.83581 998.81759
1910.0000 -74.76482 -70.86513 3.89969 2.49629 -69.23898 1041.11511
1915.0000 -75.10482 -70.32131 4.78351 2.37014 -70.51045 945.21341
1920.0000 -72.71027 -68.81539 3.89488 2.44643 -69.74148 1031.28329
1925.0000 -72.63595 -68.68853 3.94742 2.53012 -68.89801 1067.25782
1930.0000 -72.85832 -68.29165 4.56667 2.58665 -68.32819 1115.63600
1935.0000 -72.36014 -67.88116 4.47898 2.61259 -68.06672 1097.28290
1940.0000 -72.48094 -67.15573 5.32521 2.65072 -67.68247 1140.92396
1945.0000 -74.38715 -70.47535 3.91180 2.51104 -69.09031 1067.14177
1950.0000 -74.05516 -69.48507 4.57008 2.52859 -68.91339 1034.45167
1955.0000 -74.38104 -69.29157 5.08947 2.46648 -69.53943 984.58709
1960.0000 -72.23446 -67.87460 4.35986 2.59462 -68.24792 1138.67058
1965.0000 -74.07450 -69.70304 4.37146 2.59451 -68.24899 1151.34731
1970.0000 -72.67286 -68.16156 4.51130 2.49701 -69.23171 1019.30259
1975.0000 -74.08748 -69.97430 4.11318 2.51204 -69.08025 1069.15009
1980.0000 -72.69794 -69.50179 3.19614 2.41840 -70.02406 951.50673
1985.0000 -73.05288 -68.71712 4.33576 2.47259 -69.47781 979.98769
1990.0000 -71.62458 -68.39682 3.22776 2.53738 -68.82486 1036.55700
1995.0000 -72.72648 -68.06332 4.66316 2.63994 -67.79110 1153.09432
2000.0000 -72.36199 -68.13561 4.22638 2.59165 -68.27776 1126.60172
FREEZING PROCESS: loop number 9 T-loop= 1007.0000000000000
main_MD> interactions number 9 at Temperature= 1007.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31884 2.70422 0.92428
force_rgl> df(natom) 1.25101 -2.08531 1.56304
2005.0000 -73.76409 -69.20238 4.56171 2.58452 -68.34968 1138.28182
2010.0000 -74.99481 -71.52374 3.47107 2.31230 -71.09350 862.67857
2015.0000 -74.96254 -71.42806 3.53449 2.29679 -71.24982 872.95902
2020.0000 -73.21839 -69.78760 3.43079 2.41285 -70.07995 994.14820
2025.0000 -73.80758 -70.69435 3.11323 2.37942 -70.41690 920.38939
2030.0000 -73.25701 -69.26843 3.98858 2.42323 -69.97533 963.54857
2035.0000 -73.31048 -69.47761 3.83286 2.45000 -69.70559 1009.40083
2040.0000 -73.19987 -69.53820 3.66167 2.37847 -70.42652 897.01742
2045.0000 -74.51397 -69.69540 4.81856 2.47340 -69.46965 992.12795
2050.0000 -74.44012 -69.57861 4.86150 2.48251 -69.37784 1056.99500
2055.0000 -74.72568 -69.73622 4.98946 2.42831 -69.92420 1002.60652
2060.0000 -73.72578 -69.49390 4.23188 2.45121 -69.69331 996.24477
2065.0000 -74.41030 -69.66664 4.74366 2.44876 -69.71801 951.71526
2070.0000 -74.48192 -70.21376 4.26816 2.41557 -70.05259 979.56702
2075.0000 -74.78484 -70.55196 4.23288 2.38431 -70.36764 944.19243
2080.0000 -73.89195 -69.08908 4.80287 2.37559 -70.45553 879.00720
2085.0000 -72.94069 -69.44223 3.49846 2.46169 -69.58774 999.83191
2090.0000 -74.35554 -69.99096 4.36459 2.45066 -69.69891 995.14269
2095.0000 -73.36194 -68.98544 4.37650 2.41015 -70.10724 959.07760
2100.0000 -74.04381 -69.59831 4.44550 2.44936 -69.71200 991.46796
2105.0000 -73.09774 -68.95396 4.14378 2.46350 -69.56944 1030.85528
2110.0000 -72.45672 -68.62412 3.83260 2.52080 -68.99197 1100.02182
2115.0000 -72.47722 -68.53711 3.94010 2.62620 -67.92954 1131.89118
2120.0000 -72.91525 -68.68445 4.23080 2.52825 -68.91687 1049.95477
2125.0000 -72.59229 -68.93805 3.65424 2.58298 -68.36517 1076.11614
2130.0000 -73.10402 -67.88679 5.21723 2.64740 -67.71586 1169.76188
2135.0000 -72.80545 -68.30693 4.49852 2.64982 -67.69148 1170.35835
2140.0000 -73.08962 -68.83179 4.25783 2.54853 -68.71241 1074.55459
2145.0000 -74.14990 -70.78665 3.36325 2.46548 -69.54954 990.13586
2150.0000 -73.85573 -70.11091 3.74482 2.37239 -70.48784 932.59020
2155.0000 -73.16032 -69.29348 3.86684 2.46917 -69.51237 962.50879
2160.0000 -73.42087 -69.29854 4.12233 2.45844 -69.62044 993.76928
2165.0000 -72.59389 -68.18979 4.40410 2.58647 -68.33004 1124.38020
2170.0000 -72.52599 -67.71715 4.80884 2.59256 -68.26865 1087.32048
2175.0000 -74.79971 -69.77683 5.02288 2.53935 -68.80498 1071.50505
2180.0000 -73.63852 -69.49269 4.14583 2.48749 -69.32767 1078.77921
2185.0000 -73.04234 -69.75952 3.28282 2.50172 -69.18423 1016.17394
2190.0000 -73.74011 -70.24053 3.49958 2.42470 -69.96054 958.41518
2195.0000 -73.48312 -69.58136 3.90176 2.43401 -69.86675 971.22310
2200.0000 -73.72157 -69.68669 4.03488 2.47348 -69.46887 997.47659
2205.0000 -72.68621 -68.09352 4.59269 2.59133 -68.28103 1102.40093
2210.0000 -73.08295 -68.89578 4.18717 2.55736 -68.62344 1114.35598
2215.0000 -73.13109 -68.97077 4.16032 2.48568 -69.34588 1063.00107
2220.0000 -74.08363 -70.26882 3.81480 2.38243 -70.38664 926.26153
2225.0000 -74.45074 -69.38029 5.07045 2.44437 -69.76226 984.38039
2230.0000 -72.99711 -69.26679 3.73032 2.47032 -69.50071 951.33405
2235.0000 -73.98944 -70.45510 3.53434 2.43153 -69.89172 928.71388
2240.0000 -73.73212 -70.38844 3.34368 2.42477 -69.95989 950.72013
2245.0000 -74.33336 -70.52649 3.80687 2.38154 -70.39562 965.52590
2250.0000 -75.23196 -71.46154 3.77042 2.24307 -71.79127 821.76195
FREEZING PROCESS: loop number 10 T-loop= 982.00000000000000
main_MD> interactions number 10 at Temperature= 982.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86375 -0.70183 -1.03017
force_rgl> df(natom) -0.72953 0.72126 -0.37775
2255.0000 -73.99006 -69.63127 4.35878 2.37419 -70.46964 921.38284
2260.0000 -73.68661 -69.10150 4.58511 2.48059 -69.39718 1002.04575
2265.0000 -73.95044 -69.81992 4.13053 2.45046 -69.70096 976.97126
2270.0000 -74.15183 -69.89483 4.25700 2.47461 -69.45749 1015.42303
2275.0000 -72.68718 -68.44610 4.24108 2.46519 -69.55248 983.47593
2280.0000 -74.20276 -69.12960 5.07315 2.49614 -69.24046 938.65390
2285.0000 -74.15253 -68.50446 5.64807 2.57382 -68.45752 1117.37604
2290.0000 -74.06454 -70.02960 4.03494 2.51157 -69.08497 1061.77944
2295.0000 -74.41313 -69.88872 4.52441 2.41736 -70.03449 973.63873
2300.0000 -74.66032 -70.78606 3.87425 2.41952 -70.01274 951.54722
2305.0000 -73.20614 -69.78044 3.42570 2.39994 -70.21012 943.15506
2310.0000 -74.06077 -69.61248 4.44830 2.52940 -68.90525 991.23141
2315.0000 -74.26638 -69.82829 4.43810 2.42493 -69.95825 976.29360
2320.0000 -73.87172 -70.17509 3.69663 2.42084 -69.99948 964.10627
2325.0000 -73.46698 -69.24343 4.22356 2.45749 -69.63001 989.88535
2330.0000 -74.82407 -70.18034 4.64373 2.48956 -69.30682 1017.03460
2335.0000 -74.53177 -70.52360 4.00817 2.36898 -70.52214 896.10698
2340.0000 -73.80212 -70.63821 3.16390 2.31449 -71.07138 861.23180
2345.0000 -73.48929 -68.70865 4.78064 2.49274 -69.27478 1011.45601
2350.0000 -74.19245 -69.41063 4.78182 2.54575 -68.74050 1053.81394
2355.0000 -74.02399 -69.97750 4.04649 2.45825 -69.62242 981.19298
2360.0000 -74.70952 -70.63113 4.07839 2.44294 -69.77674 1028.56826
2365.0000 -74.52342 -69.80118 4.72223 2.39421 -70.26783 960.85235
2370.0000 -74.21399 -69.56588 4.64811 2.49548 -69.24718 1037.41944
2375.0000 -73.68283 -70.31088 3.37195 2.43800 -69.82647 964.06724
2380.0000 -72.83910 -70.00659 2.83251 2.42513 -69.95624 955.01425
2385.0000 -74.70333 -70.77062 3.93271 2.35556 -70.65741 870.12702
2390.0000 -74.34762 -70.82318 3.52444 2.32145 -71.00127 873.00116
2395.0000 -75.19334 -71.28286 3.91047 2.31315 -71.08492 902.50401
2400.0000 -74.43265 -71.21209 3.22056 2.25918 -71.62887 832.15618
2405.0000 -74.56614 -71.16633 3.39981 2.27458 -71.47368 866.35605
2410.0000 -74.19164 -71.36328 2.82836 2.32407 -70.97489 844.46590
2415.0000 -75.13819 -70.32306 4.81513 2.31702 -71.04587 860.15651
2420.0000 -73.46677 -69.46005 4.00672 2.39241 -70.28602 999.44132
2425.0000 -74.22793 -69.39278 4.83515 2.38680 -70.34256 902.76622
2430.0000 -73.25391 -70.25845 2.99545 2.43739 -69.83262 972.09696
2435.0000 -73.84165 -70.01882 3.82283 2.37294 -70.48231 899.93242
2440.0000 -73.15701 -70.12859 3.02842 2.40173 -70.19204 954.56918
2445.0000 -74.32692 -70.21098 4.11593 2.46647 -69.53952 1001.50912
2450.0000 -74.10941 -70.79384 3.31557 2.39145 -70.29574 952.77702
2455.0000 -75.16045 -72.36537 2.79508 2.27473 -71.47215 826.07096
2460.0000 -75.64651 -72.79527 2.85124 2.11834 -73.04852 729.91480
2465.0000 -75.02210 -71.91593 3.10617 2.20222 -72.20302 800.55850
2470.0000 -74.20139 -71.22543 2.97597 2.25239 -71.69734 863.42189
2475.0000 -75.18007 -70.98609 4.19398 2.31799 -71.03608 912.28930
2480.0000 -74.08232 -69.96407 4.11825 2.32409 -70.97465 860.60874
2485.0000 -73.57538 -69.31044 4.26494 2.41185 -70.09011 961.39392
2490.0000 -75.15855 -71.29146 3.86708 2.36913 -70.52067 962.56853
2495.0000 -72.83107 -68.21185 4.61923 2.41771 -70.03097 941.74753
2500.0000 -73.25394 -67.96598 5.28796 2.54343 -68.76383 1063.51317
FREEZING PROCESS: loop number 11 T-loop= 957.00000000000000
main_MD> interactions number 11 at Temperature= 957.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.03328 4.19931 1.35623
force_rgl> df(natom) 0.85716 0.10412 -1.30437
2505.0000 -73.49159 -69.45667 4.03492 2.58337 -68.36130 1092.33878
2510.0000 -72.82167 -69.15710 3.66457 2.53188 -68.88020 1046.99071
2515.0000 -73.61430 -70.47877 3.13553 2.47064 -69.49755 995.57193
2520.0000 -73.32499 -69.31562 4.00936 2.43259 -69.88098 948.67272
2525.0000 -73.73188 -69.26926 4.46262 2.51373 -69.06317 1075.87351
2530.0000 -73.79232 -69.78440 4.00792 2.41778 -70.03033 925.70938
2535.0000 -74.30463 -70.17792 4.12671 2.43743 -69.83220 960.65412
2540.0000 -75.10417 -70.81472 4.28945 2.40598 -70.14919 1014.18826
2545.0000 -74.66533 -71.65624 3.00910 2.28840 -71.33435 872.28432
2550.0000 -74.31358 -70.18047 4.13312 2.36854 -70.52665 908.64088
2555.0000 -73.16802 -70.27690 2.89112 2.37110 -70.50079 929.56492
2560.0000 -74.85622 -70.62608 4.23014 2.41068 -70.10182 960.14616
2565.0000 -74.63913 -70.72802 3.91111 2.38551 -70.35559 935.93781
2570.0000 -74.47385 -71.28618 3.18767 2.30796 -71.13723 828.02351
2575.0000 -73.37182 -69.48667 3.88516 2.32094 -71.00641 854.50448
2580.0000 -74.40453 -70.09846 4.30607 2.45092 -69.69627 1004.99826
2585.0000 -75.30210 -72.33009 2.97201 2.31512 -71.06510 887.43062
2590.0000 -75.63121 -71.14254 4.48867 2.23503 -71.87228 780.98284
2595.0000 -74.53085 -69.88609 4.64476 2.32326 -70.98298 893.30746
2600.0000 -74.85732 -70.98052 3.87680 2.39066 -70.30366 953.88296
2605.0000 -74.00353 -71.03513 2.96840 2.29178 -71.30027 874.36662
2610.0000 -73.73851 -69.89820 3.84031 2.39489 -70.26102 965.96768
2615.0000 -74.51209 -70.42555 4.08654 2.39586 -70.25126 959.82869
2620.0000 -73.55785 -70.10871 3.44913 2.38100 -70.40104 901.22754
2625.0000 -73.93003 -69.53279 4.39724 2.43623 -69.84439 983.12848
2630.0000 -74.63840 -70.53842 4.09998 2.40173 -70.19213 945.48931
2635.0000 -75.35941 -71.70547 3.65394 2.38688 -70.34173 945.58066
2640.0000 -73.43400 -70.04070 3.39330 2.39704 -70.23937 962.38764
2645.0000 -73.90257 -69.65168 4.25089 2.47216 -69.48221 995.37807
2650.0000 -73.51079 -69.50973 4.00105 2.49868 -69.21487 1016.10548
2655.0000 -74.09763 -68.59282 5.50481 2.50349 -69.16641 1013.99183
2660.0000 -72.55521 -67.54857 5.00664 2.63006 -67.89066 1248.47049
2665.0000 -73.23831 -66.94393 6.29438 2.60375 -68.15582 1069.26240
2670.0000 -74.53514 -70.50130 4.03384 2.54591 -68.73886 1109.24002
2675.0000 -73.58462 -70.57331 3.01131 2.41423 -70.06607 924.13794
2680.0000 -74.57274 -71.40647 3.16628 2.30140 -71.20330 837.43939
2685.0000 -75.42843 -71.61149 3.81694 2.24740 -71.74759 821.17004
2690.0000 -75.09741 -72.17183 2.92558 2.28493 -71.36932 882.40194
2695.0000 -75.36077 -71.27933 4.08145 2.23520 -71.87057 749.87924
2700.0000 -73.47485 -69.82498 3.64987 2.35480 -70.66515 892.03026
2705.0000 -73.29585 -69.99944 3.29641 2.43574 -69.84931 969.79537
2710.0000 -73.68824 -69.55890 4.12933 2.38334 -70.37745 921.56424
2715.0000 -73.32672 -69.00466 4.32206 2.50131 -69.18839 1055.34632
2720.0000 -73.53609 -69.48869 4.04740 2.45064 -69.69913 1013.49291
2725.0000 -74.14771 -69.89532 4.25239 2.41504 -70.05790 996.33225
2730.0000 -74.46260 -70.69129 3.77131 2.35207 -70.69265 903.84048
2735.0000 -74.02788 -70.16027 3.86761 2.43169 -69.89013 1012.21461
2740.0000 -74.96341 -70.62116 4.34225 2.30675 -71.14945 900.67048
2745.0000 -74.64960 -70.57718 4.07242 2.33132 -70.90174 885.23559
2750.0000 -73.78755 -70.44521 3.34234 2.37139 -70.49787 924.63039
FREEZING PROCESS: loop number 12 T-loop= 932.00000000000000
main_MD> interactions number 12 at Temperature= 932.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62023 0.33708 -1.13049
force_rgl> df(natom) -0.13904 -2.88878 0.69658
2755.0000 -73.36833 -69.71337 3.65496 2.45728 -69.63220 995.73320
2760.0000 -73.91000 -69.60767 4.30233 2.37183 -70.49348 944.73277
2765.0000 -74.96789 -70.23788 4.73001 2.45757 -69.62928 1017.83323
2770.0000 -74.55222 -70.97359 3.57864 2.39246 -70.28556 1009.03888
2775.0000 -73.50160 -69.61947 3.88213 2.40278 -70.18146 972.32886
2780.0000 -74.87399 -71.32202 3.55198 2.41224 -70.08613 965.98776
2785.0000 -73.67791 -69.95078 3.72714 2.30929 -71.12378 799.95357
2790.0000 -73.94487 -70.10118 3.84370 2.42624 -69.94501 983.59100
2795.0000 -72.89508 -69.24894 3.64614 2.42162 -69.99158 966.73668
2800.0000 -74.19450 -70.10386 4.09064 2.41688 -70.03941 948.24223
2805.0000 -74.98546 -71.05826 3.92720 2.36695 -70.54261 926.02680
2810.0000 -74.01000 -70.77977 3.23023 2.30339 -71.18327 869.43835
2815.0000 -74.23331 -70.50969 3.72362 2.40587 -70.15033 913.93536
2820.0000 -74.64751 -70.72752 3.91999 2.30527 -71.16429 873.04645
2825.0000 -75.14935 -71.50560 3.64375 2.27618 -71.45757 837.39728
2830.0000 -74.67033 -70.54482 4.12551 2.28346 -71.38417 826.04649
2835.0000 -74.04284 -70.77016 3.27268 2.34447 -70.76924 914.93016
2840.0000 -75.58176 -71.98750 3.59426 2.35787 -70.63419 909.76102
2845.0000 -74.20367 -69.86934 4.33433 2.29466 -71.27129 830.34272
2850.0000 -73.69183 -69.58970 4.10213 2.41648 -70.04340 944.39422
2855.0000 -75.40281 -70.83096 4.57185 2.38320 -70.37885 884.57570
2860.0000 -75.45716 -72.27711 3.18006 2.26591 -71.56111 862.56335
2865.0000 -73.64404 -70.06333 3.58072 2.35365 -70.67666 886.93497
2870.0000 -73.24627 -68.60214 4.64413 2.53495 -68.84933 1017.03006
2875.0000 -72.26779 -67.86387 4.40391 2.62300 -67.96177 1129.49714
2880.0000 -74.00198 -69.53599 4.46599 2.53959 -68.80252 1066.13628
2885.0000 -75.21877 -71.93559 3.28318 2.33270 -70.88786 862.73643
2890.0000 -75.06289 -70.92231 4.14058 2.29064 -71.31182 859.01300
2895.0000 -73.99802 -70.11967 3.87836 2.35121 -70.70132 905.35389
2900.0000 -73.57800 -70.10581 3.47219 2.31960 -71.01991 855.76499
2905.0000 -74.34178 -70.28604 4.05574 2.37470 -70.46449 915.40745
2910.0000 -73.69879 -69.52987 4.16892 2.40452 -70.16400 963.55035
2915.0000 -74.73850 -70.38111 4.35739 2.43723 -69.83430 1036.78872
2920.0000 -74.60113 -70.71674 3.88439 2.34922 -70.72131 910.87721
2925.0000 -75.15392 -69.90264 5.25128 2.35911 -70.62170 909.06072
2930.0000 -74.72120 -69.68292 5.03827 2.39425 -70.26747 963.55488
2935.0000 -74.15654 -70.15635 4.00018 2.37969 -70.41421 941.17027
2940.0000 -74.23171 -69.78359 4.44812 2.40851 -70.12374 948.37730
2945.0000 -74.94289 -70.72388 4.21901 2.40424 -70.16681 931.46271
2950.0000 -75.12930 -70.81886 4.31044 2.28425 -71.37621 846.78437
2955.0000 -74.06646 -70.15520 3.91125 2.37606 -70.45080 958.63068
2960.0000 -73.55113 -69.84984 3.70129 2.45100 -69.69550 981.94099
2965.0000 -73.56041 -69.89078 3.66962 2.44163 -69.78994 930.85165
2970.0000 -74.14112 -70.30168 3.83944 2.41574 -70.05086 951.26762
2975.0000 -74.28487 -70.01753 4.26735 2.40120 -70.19743 995.02206
2980.0000 -73.97200 -69.98471 3.98729 2.41670 -70.04114 936.93729
2985.0000 -74.83763 -70.60899 4.22864 2.41447 -70.06371 979.35482
2990.0000 -75.60799 -71.34777 4.26022 2.35191 -70.69425 926.49032
2995.0000 -75.49462 -72.24032 3.25430 2.28253 -71.39357 875.31920
3000.0000 -75.58079 -72.24050 3.34029 2.21309 -72.09340 821.71237
FREEZING PROCESS: loop number 13 T-loop= 907.00000000000000
main_MD> interactions number 13 at Temperature= 907.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.31113 -1.79597 1.83157
force_rgl> df(natom) 1.88687 -0.33431 0.23069
3005.0000 -75.54840 -72.00368 3.54472 2.22709 -71.95230 791.84795
3010.0000 -75.06462 -71.63551 3.42911 2.20935 -72.13113 768.92808
3015.0000 -74.07726 -70.38157 3.69569 2.28539 -71.36469 836.09122
3020.0000 -73.62983 -69.85287 3.77696 2.42752 -69.93216 967.58289
3025.0000 -74.83890 -71.66239 3.17651 2.35573 -70.65570 910.30554
3030.0000 -75.61525 -72.02901 3.58624 2.19285 -72.29745 753.30915
3035.0000 -74.41392 -70.53114 3.88278 2.31100 -71.10654 901.39668
3040.0000 -74.75626 -71.34932 3.40693 2.31738 -71.04228 881.91567
3045.0000 -74.19302 -71.57707 2.61596 2.32740 -70.94126 874.00796
3050.0000 -75.17528 -71.89336 3.28192 2.27454 -71.47407 827.86955
3055.0000 -74.82026 -71.04243 3.77783 2.26080 -71.61259 815.05564
3060.0000 -75.10152 -70.99181 4.10971 2.35133 -70.70011 894.65200
3065.0000 -75.00805 -71.80592 3.20213 2.25299 -71.69125 832.32045
3070.0000 -74.85105 -71.49219 3.35886 2.25230 -71.69828 794.49178
3075.0000 -74.79978 -71.57875 3.22103 2.27889 -71.43019 836.12954
3080.0000 -74.28558 -70.80895 3.47663 2.28606 -71.35795 857.10744
3085.0000 -74.48661 -70.54329 3.94332 2.31330 -71.08336 897.30566
3090.0000 -75.77484 -71.45575 4.31909 2.33594 -70.85520 898.77226
3095.0000 -75.55395 -71.58126 3.97269 2.27684 -71.45092 851.96285
3100.0000 -74.41998 -70.35110 4.06888 2.36034 -70.60928 937.25840
3105.0000 -74.88432 -71.02662 3.85770 2.39908 -70.21879 925.91594
3110.0000 -74.46719 -71.03930 3.42789 2.32471 -70.96837 875.24132
3115.0000 -73.50473 -69.68016 3.82457 2.44799 -69.72582 952.29345
3120.0000 -74.47982 -70.12259 4.35723 2.33494 -70.86529 877.93737
3125.0000 -73.90113 -70.25534 3.64579 2.38555 -70.35517 955.14009
3130.0000 -72.58098 -69.37981 3.20118 2.44930 -69.71256 948.21385
3135.0000 -73.72908 -70.64712 3.08195 2.41357 -70.07269 939.02631
3140.0000 -74.16899 -71.20165 2.96735 2.24610 -71.76068 778.95453
3145.0000 -73.49965 -69.93572 3.56393 2.37993 -70.41183 856.59086
3150.0000 -73.90796 -69.80351 4.10445 2.37770 -70.43428 927.86989
3155.0000 -73.91907 -69.55916 4.35991 2.45692 -69.63582 1022.42449
3160.0000 -73.97600 -70.01108 3.96492 2.43548 -69.85191 978.79738
3165.0000 -74.92345 -71.47236 3.45109 2.35445 -70.66863 902.89475
3170.0000 -74.68674 -70.26523 4.42152 2.34808 -70.73279 979.12889
3175.0000 -74.13782 -70.21390 3.92392 2.38734 -70.33716 1023.78639
3180.0000 -74.91343 -71.27979 3.63364 2.30962 -71.12051 871.76344
3185.0000 -75.72964 -71.08289 4.64674 2.25279 -71.69325 820.38717
3190.0000 -73.26201 -68.88893 4.37308 2.44536 -69.75229 1015.88836
3195.0000 -73.29061 -68.40999 4.88062 2.53837 -68.81484 1059.13846
3200.0000 -73.74241 -69.23979 4.50262 2.48091 -69.39399 995.85274
3205.0000 -74.09559 -71.18490 2.91068 2.48203 -69.38272 1029.53132
3210.0000 -75.50960 -71.45862 4.05098 2.34657 -70.74804 892.58966
3215.0000 -74.28822 -71.96289 2.32532 2.28635 -71.35501 874.21159
3220.0000 -73.39252 -70.70757 2.68496 2.29591 -71.25869 871.34163
3225.0000 -73.56034 -69.38272 4.17762 2.38747 -70.33585 930.38088
3230.0000 -73.49997 -69.10209 4.39788 2.45835 -69.62138 1043.34322
3235.0000 -73.46257 -69.18422 4.27835 2.47722 -69.43119 969.28927
3240.0000 -74.64836 -69.89006 4.75831 2.44489 -69.75710 964.81805
3245.0000 -73.37499 -69.67089 3.70409 2.43955 -69.81084 954.47356
3250.0000 -73.48639 -70.39423 3.09216 2.45655 -69.63948 987.74390
FREEZING PROCESS: loop number 14 T-loop= 882.00000000000000
main_MD> interactions number 14 at Temperature= 882.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18852 -0.61519 2.69107
force_rgl> df(natom) -1.57300 1.86203 -0.36628
3255.0000 -73.91198 -69.82717 4.08481 2.39061 -70.30419 936.73398
3260.0000 -73.09139 -69.63603 3.45535 2.47264 -69.47732 972.60081
3265.0000 -74.09955 -70.15911 3.94044 2.42257 -69.98201 1005.48117
3270.0000 -74.89460 -71.20520 3.68940 2.36286 -70.58386 951.84872
3275.0000 -73.59431 -70.07166 3.52265 2.35649 -70.64807 902.36078
3280.0000 -75.47296 -71.94327 3.52969 2.31169 -71.09958 882.34329
3285.0000 -75.20770 -72.45349 2.75421 2.20689 -72.15594 782.09660
3290.0000 -74.30575 -70.20167 4.10408 2.29506 -71.26722 862.66761
3295.0000 -74.58513 -71.30662 3.27851 2.36712 -70.54094 922.21880
3300.0000 -74.79122 -70.76780 4.02342 2.33908 -70.82351 886.28858
3305.0000 -74.90317 -71.92753 2.97564 2.32954 -70.91967 872.05601
3310.0000 -75.46903 -71.66238 3.80665 2.23278 -71.89503 841.65897
3315.0000 -75.14999 -72.62551 2.52447 2.19584 -72.26736 775.69476
3320.0000 -74.49078 -71.23538 3.25539 2.29023 -71.31589 806.33084
3325.0000 -74.17104 -70.71036 3.46068 2.33804 -70.83400 891.85142
3330.0000 -75.39512 -70.92896 4.46617 2.35878 -70.62502 872.87641
3335.0000 -74.32312 -70.62062 3.70251 2.34945 -70.71900 867.09831
3340.0000 -74.17236 -70.44076 3.73159 2.36850 -70.52699 956.73121
3345.0000 -74.48735 -70.49535 3.99200 2.42650 -69.94244 999.53382
3350.0000 -74.17725 -69.65832 4.51892 2.37554 -70.45608 924.01583
3355.0000 -74.65759 -71.30458 3.35301 2.38270 -70.38389 953.18580
3360.0000 -76.01250 -71.90796 4.10455 2.29703 -71.24741 930.51262
3365.0000 -74.47879 -70.48511 3.99368 2.34415 -70.77242 891.07908
3370.0000 -75.56732 -71.83356 3.73376 2.30716 -71.14524 843.14247
3375.0000 -74.74932 -71.82885 2.92047 2.20523 -72.17265 796.14832
3380.0000 -74.45109 -70.57050 3.88059 2.28701 -71.34838 782.02980
3385.0000 -74.80362 -71.61143 3.19218 2.31239 -71.09258 833.12972
3390.0000 -75.74682 -72.52426 3.22256 2.20801 -72.14462 785.45406
3395.0000 -75.92115 -72.39935 3.52181 2.23409 -71.88177 805.47690
3400.0000 -75.68491 -72.41337 3.27154 2.21176 -72.10687 795.73492
3405.0000 -74.09526 -70.30329 3.79198 2.25602 -71.66071 861.65833
3410.0000 -72.86957 -69.67306 3.19651 2.37630 -70.44839 905.76291
3415.0000 -74.56921 -70.69525 3.87396 2.37827 -70.42859 808.41832
3420.0000 -75.21541 -71.43222 3.78319 2.39429 -70.26712 921.97306
3425.0000 -74.47605 -70.97662 3.49944 2.29058 -71.31244 896.53189
3430.0000 -75.50867 -72.03167 3.47700 2.24757 -71.74586 799.33080
3435.0000 -74.71296 -71.35490 3.35807 2.21359 -72.08845 822.79848
3440.0000 -75.61569 -71.59665 4.01905 2.25930 -71.62764 848.42252
3445.0000 -75.70201 -72.25155 3.45047 2.23296 -71.89314 830.59201
3450.0000 -75.47888 -71.14696 4.33192 2.23513 -71.87125 829.11700
3455.0000 -74.33029 -70.73317 3.59712 2.33480 -70.86673 919.44135
3460.0000 -75.63876 -71.31571 4.32305 2.34632 -70.75062 937.82125
3465.0000 -74.46669 -71.36769 3.09901 2.30371 -71.18004 872.65636
3470.0000 -74.93572 -71.20770 3.72802 2.31322 -71.08424 871.53616
3475.0000 -75.43046 -71.86874 3.56173 2.22056 -72.01812 783.81567
3480.0000 -75.36245 -72.07616 3.28629 2.18196 -72.40721 781.39262
3485.0000 -73.95434 -70.41513 3.53921 2.31636 -71.05260 844.96635
3490.0000 -75.09227 -72.21952 2.87275 2.25964 -71.62422 789.39692
3495.0000 -75.50011 -71.93389 3.56622 2.20961 -72.12852 756.96455
3500.0000 -75.39839 -72.20771 3.19068 2.24905 -71.73098 800.30120
FREEZING PROCESS: loop number 15 T-loop= 857.00000000000000
main_MD> interactions number 15 at Temperature= 857.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.64205 -6.49536 2.40848
force_rgl> df(natom) 4.89208 -0.26275 1.14437
3505.0000 -75.39582 -71.79538 3.60044 2.25250 -71.69622 866.49039
3510.0000 -75.08840 -71.12622 3.96219 2.26657 -71.55442 842.21558
3515.0000 -73.47812 -70.41708 3.06104 2.37561 -70.45536 921.57819
3520.0000 -75.02783 -70.70043 4.32739 2.31093 -71.10730 873.70015
3525.0000 -75.61657 -71.22107 4.39551 2.33588 -70.85584 907.83355
3530.0000 -73.95636 -70.66966 3.28671 2.31207 -71.09582 902.66677
3535.0000 -74.66764 -70.83329 3.83435 2.30962 -71.12053 874.23757
3540.0000 -73.78912 -71.06950 2.71963 2.35472 -70.66589 932.13472
3545.0000 -74.99746 -70.88691 4.11054 2.35949 -70.61786 928.79608
3550.0000 -73.89462 -70.27375 3.62087 2.31122 -71.10438 833.41720
3555.0000 -74.27824 -70.04160 4.23664 2.43051 -69.90204 942.19182
3560.0000 -74.24089 -70.91874 3.32215 2.33353 -70.87945 874.22675
3565.0000 -74.55252 -70.97458 3.57794 2.30257 -71.19155 828.58429
3570.0000 -74.23518 -70.42387 3.81131 2.35607 -70.65233 875.84293
3575.0000 -74.87926 -71.34176 3.53750 2.31511 -71.06519 896.40029
3580.0000 -75.91413 -73.38981 2.52432 2.20626 -72.16234 794.19288
3585.0000 -74.49258 -71.62263 2.86995 2.18524 -72.37416 773.04220
3590.0000 -75.14097 -70.90548 4.23549 2.30428 -71.17434 868.18886
3595.0000 -73.82458 -70.42076 3.40382 2.38421 -70.36866 965.02297
3600.0000 -74.80024 -70.85831 3.94193 2.36356 -70.57680 905.45853
3605.0000 -75.01590 -71.68318 3.33272 2.30938 -71.12290 868.98364
3610.0000 -75.25346 -72.23385 3.01961 2.23986 -71.82365 815.37173
3615.0000 -74.85384 -70.83238 4.02146 2.29419 -71.27605 833.30824
3620.0000 -74.36102 -70.96883 3.39219 2.34935 -70.72005 915.43512
3625.0000 -74.75972 -71.65942 3.10030 2.22867 -71.93644 781.86655
3630.0000 -74.92161 -71.12136 3.80025 2.25870 -71.63377 886.93234
3635.0000 -73.94938 -70.88868 3.06070 2.30618 -71.15519 885.43227
3640.0000 -73.95174 -69.97503 3.97671 2.40839 -70.12494 895.11061
3645.0000 -73.42557 -69.47421 3.95136 2.43487 -69.85802 933.09544
3650.0000 -72.53027 -68.13799 4.39228 2.48516 -69.35113 1009.05291
3655.0000 -72.56927 -68.89290 3.67637 2.54543 -68.74367 1073.00752
3660.0000 -74.44634 -70.21693 4.22941 2.49912 -69.21040 1053.90528
3665.0000 -74.98651 -71.41050 3.57601 2.32933 -70.92183 914.39544
3670.0000 -75.75361 -72.55818 3.19543 2.20789 -72.14588 794.91423
3675.0000 -74.56769 -71.01300 3.55468 2.22314 -71.99220 815.86126
3680.0000 -74.54561 -71.39277 3.15284 2.34026 -70.81167 930.00981
3685.0000 -73.72829 -70.74008 2.98821 2.30886 -71.12818 873.27664
3690.0000 -74.07568 -69.71479 4.36089 2.35514 -70.66170 952.12741
3695.0000 -75.11679 -71.16967 3.94712 2.37061 -70.50571 944.07714
3700.0000 -75.87009 -72.58044 3.28965 2.22576 -71.96574 777.50490
3705.0000 -74.52214 -70.86419 3.65796 2.23507 -71.87188 807.10159
3710.0000 -75.12423 -72.13884 2.98539 2.30873 -71.12943 885.52751
3715.0000 -74.93510 -71.26909 3.66601 2.23399 -71.88280 779.61325
3720.0000 -75.59933 -71.31326 4.28607 2.29016 -71.31664 816.61048
3725.0000 -74.70016 -71.15861 3.54155 2.29360 -71.28193 844.52065
3730.0000 -75.97614 -71.46539 4.51075 2.28570 -71.36156 834.34799
3735.0000 -74.89047 -72.06824 2.82223 2.26136 -71.60691 840.49828
3740.0000 -73.65454 -70.77826 2.87627 2.25025 -71.71895 799.01491
3745.0000 -74.19641 -69.91442 4.28199 2.37442 -70.46733 947.50735
3750.0000 -74.95050 -70.85675 4.09375 2.28671 -71.35137 871.93258
FREEZING PROCESS: loop number 16 T-loop= 832.00000000000000
main_MD> interactions number 16 at Temperature= 832.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.47898 -0.41977 -4.00132
force_rgl> df(natom) 0.80282 0.04364 -0.29635
3755.0000 -74.98346 -71.94020 3.04326 2.27803 -71.43891 824.67163
3760.0000 -75.26882 -71.56362 3.70520 2.22470 -71.97640 791.16381
3765.0000 -74.93460 -72.41715 2.51746 2.27638 -71.45552 847.30043
3770.0000 -75.19810 -71.21023 3.98787 2.20073 -72.21801 757.46689
3775.0000 -75.00569 -72.04063 2.96506 2.30684 -71.14848 844.70966
3780.0000 -76.39316 -72.50847 3.88469 2.20027 -72.22272 763.06404
3785.0000 -75.45557 -71.91956 3.53601 2.25192 -71.70206 854.84254
3790.0000 -76.27468 -73.12939 3.14529 2.16959 -72.53191 717.23851
3795.0000 -75.45450 -72.68046 2.77404 2.13111 -72.91975 706.30770
3800.0000 -75.35613 -72.17259 3.18354 2.21196 -72.10486 777.04151
3805.0000 -75.05192 -72.01477 3.03715 2.22093 -72.01445 787.30907
3810.0000 -76.01983 -71.22000 4.79983 2.22845 -71.93862 854.17851
3815.0000 -74.62255 -71.87169 2.75087 2.28850 -71.33335 866.49533
3820.0000 -75.19272 -71.20793 3.98479 2.30083 -71.20914 863.21391
3825.0000 -75.00774 -70.69795 4.30978 2.34202 -70.79387 904.09552
3830.0000 -74.27476 -70.06775 4.20702 2.37653 -70.44608 911.18697
3835.0000 -74.79710 -70.87409 3.92301 2.38425 -70.36822 906.23330
3840.0000 -75.40467 -71.20139 4.20328 2.35339 -70.67928 942.09096
3845.0000 -75.72526 -72.52160 3.20366 2.20784 -72.14634 804.75420
3850.0000 -74.54936 -71.25276 3.29660 2.23441 -71.87855 769.96230
3855.0000 -75.49963 -71.42795 4.07169 2.24849 -71.73662 814.60464
3860.0000 -75.90900 -72.26741 3.64160 2.25162 -71.70507 871.38148
3865.0000 -76.54303 -72.80530 3.73773 2.12527 -72.97861 714.07990
3870.0000 -75.85776 -72.05756 3.80020 2.24881 -71.73338 851.74344
3875.0000 -75.39280 -71.57486 3.81794 2.23323 -71.89042 840.14296
3880.0000 -75.01531 -72.48765 2.52765 2.31970 -71.01889 895.19076
3885.0000 -74.76322 -71.59628 3.16694 2.24710 -71.75069 839.01422
3890.0000 -75.54391 -72.54079 3.00312 2.22573 -71.96604 787.85782
3895.0000 -74.87066 -71.53966 3.33100 2.22383 -71.98517 787.61374
3900.0000 -75.09636 -71.93586 3.16049 2.23985 -71.82372 806.61953
3905.0000 -75.95147 -72.08165 3.86982 2.22094 -72.01434 828.66059
3910.0000 -75.34300 -71.89161 3.45139 2.23988 -71.82343 814.97496
3915.0000 -74.26739 -69.69531 4.57208 2.34637 -70.75003 926.78322
3920.0000 -73.02902 -69.28260 3.74643 2.48297 -69.37326 1033.21258
3925.0000 -74.81227 -70.95847 3.85380 2.40531 -70.15599 940.66137
3930.0000 -74.47465 -70.95321 3.52144 2.34375 -70.77647 948.36251
3935.0000 -74.24508 -71.06105 3.18403 2.34546 -70.75920 913.50031
3940.0000 -74.49442 -70.16007 4.33435 2.35664 -70.64654 893.18110
3945.0000 -74.11720 -70.51185 3.60535 2.38862 -70.32418 922.54541
3950.0000 -75.37098 -71.95195 3.41903 2.30392 -71.17792 856.96549
3955.0000 -75.96427 -72.89895 3.06532 2.18334 -72.39330 769.80065
3960.0000 -75.57465 -71.99147 3.58318 2.16269 -72.60150 746.47105
3965.0000 -74.14938 -70.96940 3.17998 2.28663 -71.35222 835.87988
3970.0000 -74.95395 -70.98301 3.97094 2.27423 -71.47723 818.29796
3975.0000 -75.27449 -71.92584 3.34865 2.25037 -71.71773 835.51376
3980.0000 -75.45942 -70.95497 4.50445 2.27745 -71.44477 881.42333
3985.0000 -75.22384 -71.01375 4.21009 2.33176 -70.89729 909.72808
3990.0000 -74.59158 -70.56998 4.02160 2.35413 -70.67188 883.34794
3995.0000 -74.08454 -71.14475 2.93978 2.29928 -71.22473 875.43053
4000.0000 -75.96819 -72.58471 3.38348 2.23890 -71.83335 861.74700
FREEZING PROCESS: loop number 17 T-loop= 807.00000000000000
main_MD> interactions number 17 at Temperature= 807.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73973 -1.66567 -1.85520
force_rgl> df(natom) 1.62719 1.21535 -0.34727
4005.0000 -74.63920 -71.19533 3.44386 2.23104 -71.91248 825.32092
4010.0000 -75.97823 -71.97624 4.00199 2.22720 -71.95122 825.38840
4015.0000 -75.48536 -71.63135 3.85401 2.21348 -72.08956 822.74896
4020.0000 -74.76836 -71.85475 2.91361 2.25018 -71.71957 826.74522
4025.0000 -74.40226 -71.39394 3.00832 2.30321 -71.18506 849.02453
4030.0000 -73.88488 -70.36694 3.51794 2.36761 -70.53596 881.90309
4035.0000 -74.41947 -70.59992 3.81954 2.35933 -70.61945 877.88227
4040.0000 -74.69538 -70.95217 3.74322 2.35336 -70.67962 837.52035
4045.0000 -74.41443 -70.74965 3.66478 2.31706 -71.04554 880.75346
4050.0000 -73.29220 -69.98402 3.30819 2.34844 -70.72918 870.88459
4055.0000 -74.83468 -71.80666 3.02802 2.32353 -70.98028 855.09444
4060.0000 -75.45053 -72.53072 2.91981 2.26984 -71.52143 813.08452
4065.0000 -76.18252 -72.81937 3.36315 2.12745 -72.95663 728.87841
4070.0000 -76.20371 -73.19980 3.00391 2.17483 -72.47913 783.29412
4075.0000 -74.90403 -72.49872 2.40532 2.13493 -72.88122 708.11642
4080.0000 -74.83444 -71.43344 3.40100 2.22511 -71.97233 768.52145
4085.0000 -74.59448 -70.67550 3.91899 2.31409 -71.07540 852.33574
4090.0000 -74.65699 -70.40447 4.25252 2.38213 -70.38968 898.49008
4095.0000 -74.45615 -71.06751 3.38864 2.38427 -70.36810 975.77706
4100.0000 -75.58320 -71.25209 4.33112 2.28171 -71.40184 790.58429
4105.0000 -75.50246 -72.77781 2.72465 2.22527 -71.97070 784.03195
4110.0000 -76.34978 -73.62869 2.72109 2.09637 -73.26994 712.19239
4115.0000 -75.47806 -71.95646 3.52159 2.16280 -72.60034 729.75893
4120.0000 -75.85925 -72.36653 3.49271 2.18361 -72.39062 778.86761
4125.0000 -75.24487 -71.23877 4.00610 2.20578 -72.16711 756.95733
4130.0000 -75.03789 -71.87786 3.16004 2.28024 -71.41663 810.48494
4135.0000 -75.82331 -72.87307 2.95024 2.22687 -71.95454 787.56094
4140.0000 -75.46547 -72.72379 2.74168 2.10241 -73.20901 667.20947
4145.0000 -74.79915 -71.11965 3.67950 2.20903 -72.13433 779.97239
4150.0000 -75.44980 -72.68567 2.76413 2.21297 -72.09463 769.92201
4155.0000 -75.46698 -72.51837 2.94861 2.17567 -72.47057 762.30479
4160.0000 -74.39413 -69.75642 4.63771 2.26598 -71.56034 842.15037
4165.0000 -74.79495 -71.15570 3.63924 2.37120 -70.49984 856.78831
4170.0000 -75.71666 -72.36333 3.35333 2.21088 -72.11577 756.04562
4175.0000 -75.24420 -71.78727 3.45694 2.22060 -72.01773 797.97424
4180.0000 -76.21958 -72.73467 3.48492 2.17906 -72.43645 770.15867
4185.0000 -75.46976 -72.24260 3.22716 2.16954 -72.53236 755.94579
4190.0000 -76.31797 -72.66803 3.64994 2.15670 -72.66183 753.94808
4195.0000 -75.58068 -71.81358 3.76710 2.18984 -72.32779 758.99398
4200.0000 -75.03050 -71.69115 3.33935 2.24111 -71.81098 839.71253
4205.0000 -74.85613 -71.76820 3.08793 2.19361 -72.28982 756.07003
4210.0000 -75.04767 -71.77348 3.27419 2.21733 -72.05075 800.01196
4215.0000 -74.85205 -71.41731 3.43474 2.25271 -71.69415 824.84186
4220.0000 -74.28855 -70.11808 4.17047 2.31213 -71.09514 849.78663
4225.0000 -73.80559 -70.68235 3.12324 2.39121 -70.29810 959.04218
4230.0000 -75.05376 -71.82525 3.22851 2.24218 -71.80025 833.01649
4235.0000 -75.39962 -71.54076 3.85887 2.21850 -72.03893 828.47183
4240.0000 -74.63416 -70.65281 3.98135 2.26617 -71.55842 861.18108
4245.0000 -74.69696 -71.17627 3.52069 2.31150 -71.10159 894.86010
4250.0000 -76.26335 -72.98047 3.28288 2.22054 -72.01838 786.36291
FREEZING PROCESS: loop number 18 T-loop= 782.00000000000000
main_MD> interactions number 18 at Temperature= 782.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.43560 -4.27205 -2.62094
force_rgl> df(natom) -6.00643 -0.77448 1.81753
4255.0000 -75.26186 -71.97909 3.28277 2.17449 -72.48247 766.92647
4260.0000 -76.61738 -73.12538 3.49200 2.18305 -72.39626 746.56074
4265.0000 -75.50557 -71.89085 3.61472 2.16794 -72.54857 762.57454
4270.0000 -75.25026 -72.30607 2.94418 2.22083 -72.01545 814.91717
4275.0000 -74.39391 -72.03244 2.36148 2.22375 -71.98598 789.99513
4280.0000 -75.78945 -72.09638 3.69306 2.21852 -72.03877 752.41901
4285.0000 -75.58581 -73.23264 2.35317 2.17247 -72.50283 728.39191
4290.0000 -75.19948 -71.88724 3.31224 2.17710 -72.45621 722.50437
4295.0000 -75.05312 -71.97967 3.07344 2.24362 -71.78575 785.81875
4300.0000 -75.18461 -71.60673 3.57788 2.23444 -71.87824 800.26504
4305.0000 -75.53691 -73.11138 2.42553 2.15709 -72.65793 747.46709
4310.0000 -76.72362 -73.53311 3.19051 2.11806 -73.05125 715.89655
4315.0000 -75.29115 -72.32957 2.96158 2.13335 -72.89716 713.47796
4320.0000 -75.71145 -71.53160 4.17985 2.15448 -72.68415 727.19988
4325.0000 -75.31335 -72.26008 3.05327 2.19258 -72.30016 792.89672
4330.0000 -75.67414 -71.65699 4.01715 2.22435 -71.97997 786.47560
4335.0000 -74.09339 -70.26980 3.82359 2.31080 -71.10861 849.54170
4340.0000 -74.10054 -70.81733 3.28321 2.35100 -70.70336 905.79927
4345.0000 -75.09048 -71.00193 4.08855 2.34263 -70.78775 896.00252
4350.0000 -76.31499 -72.59700 3.71799 2.20604 -72.16447 785.66257
4355.0000 -75.68816 -72.41733 3.27083 2.07930 -73.44196 699.58398
4360.0000 -75.92680 -72.38069 3.54611 2.24787 -71.74286 822.99515
4365.0000 -76.13636 -72.79014 3.34622 2.14275 -72.80241 786.72817
4370.0000 -75.80666 -72.50669 3.29998 2.15289 -72.70024 746.59702
4375.0000 -76.11318 -72.46883 3.64435 2.19620 -72.26364 791.08633
4380.0000 -75.95009 -72.30608 3.64401 2.17251 -72.50244 769.21547
4385.0000 -75.46332 -72.48829 2.97503 2.19504 -72.27541 800.82473
4390.0000 -76.47514 -72.29102 4.18412 2.19223 -72.30368 792.45626
4395.0000 -75.94514 -71.49440 4.45074 2.28496 -71.36900 897.95755
4400.0000 -74.89254 -71.42296 3.46957 2.29573 -71.26053 829.93677
4405.0000 -75.76174 -71.79576 3.96598 2.26696 -71.55044 812.22524
4410.0000 -75.71035 -72.25137 3.45898 2.21674 -72.05665 813.32777
4415.0000 -76.12634 -73.20811 2.91824 2.17658 -72.46142 732.07633
4420.0000 -75.03817 -71.67098 3.36719 2.18105 -72.41639 768.48671
4425.0000 -74.50432 -70.97447 3.52986 2.30333 -71.18390 874.94832
4430.0000 -75.42538 -71.31674 4.10864 2.28113 -71.40769 832.33598
4435.0000 -75.34179 -71.25967 4.08211 2.29500 -71.26786 872.94957
4440.0000 -75.48260 -71.91952 3.56307 2.25516 -71.66940 804.61948
4445.0000 -74.72755 -71.08311 3.64444 2.26292 -71.59117 826.81890
4450.0000 -75.69452 -72.12025 3.57427 2.26024 -71.61822 882.40186
4455.0000 -75.77513 -72.75075 3.02438 2.17134 -72.51431 735.73870
4460.0000 -75.28093 -72.94006 2.34087 2.15184 -72.71083 742.71683
4465.0000 -76.83856 -73.25690 3.58166 2.14624 -72.76726 755.04768
4470.0000 -73.95807 -71.02804 2.93002 2.20899 -72.13474 783.34515
4475.0000 -75.46986 -71.59043 3.87944 2.28001 -71.41898 820.85356
4480.0000 -75.56978 -72.26532 3.30446 2.25457 -71.67539 843.95394
4485.0000 -75.58972 -72.01553 3.57418 2.22498 -71.97363 809.59701
4490.0000 -75.83688 -72.60611 3.23076 2.22770 -71.94615 796.83131
4495.0000 -75.30983 -72.17885 3.13098 2.21955 -72.02829 783.23425
4500.0000 -75.81720 -73.12140 2.69579 2.12150 -73.01665 695.39113
FREEZING PROCESS: loop number 19 T-loop= 757.00000000000000
main_MD> interactions number 19 at Temperature= 757.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55469 0.79047 0.62822
force_rgl> df(natom) -0.52914 0.31494 -2.33856
4505.0000 -75.15620 -72.11023 3.04597 2.17735 -72.45368 750.77554
4510.0000 -75.81617 -72.84962 2.96655 2.21632 -72.06091 792.18112
4515.0000 -75.93883 -72.04122 3.89761 2.14079 -72.82218 734.54020
4520.0000 -75.81374 -72.42718 3.38656 2.19296 -72.29631 754.43045
4525.0000 -77.12573 -73.98349 3.14224 2.09000 -73.33408 693.02923
4530.0000 -76.16442 -73.86295 2.30148 2.03965 -73.84159 676.31335
4535.0000 -76.73486 -73.95634 2.77852 2.02446 -73.99471 643.62271
4540.0000 -76.13406 -72.97560 3.15846 2.07324 -73.50302 675.23694
4545.0000 -76.13717 -73.76886 2.36831 2.15643 -72.66455 739.71277
4550.0000 -75.66158 -73.01868 2.64290 2.10301 -73.20301 726.53393
4555.0000 -75.86382 -72.86345 3.00037 2.12892 -72.94187 721.03229
4560.0000 -75.53630 -72.20609 3.33021 2.16787 -72.54926 767.12225
4565.0000 -74.37545 -71.02705 3.34840 2.21686 -72.05545 784.12235
4570.0000 -74.83917 -71.53544 3.30373 2.25310 -71.69020 828.94781
4575.0000 -75.16562 -71.90067 3.26495 2.24109 -71.81119 802.29772
4580.0000 -75.66343 -72.10994 3.55349 2.18780 -72.34838 723.57744
4585.0000 -74.98214 -71.58846 3.39367 2.25022 -71.71920 823.61941
4590.0000 -76.06062 -72.58961 3.47102 2.20212 -72.20405 816.87354
4595.0000 -76.02093 -72.68621 3.33472 2.14931 -72.73634 697.00769
4600.0000 -75.71454 -72.48115 3.23339 2.19768 -72.24878 806.03470
4605.0000 -76.08684 -72.63555 3.45129 2.14747 -72.75482 694.59484
4610.0000 -75.18002 -72.49374 2.68627 2.24830 -71.73855 798.46529
4615.0000 -74.88917 -72.08144 2.80773 2.18506 -72.37597 742.29316
4620.0000 -75.63974 -72.27720 3.36254 2.23570 -71.86560 790.26716
4625.0000 -76.31539 -72.62939 3.68600 2.16470 -72.58118 773.50771
4630.0000 -75.57797 -72.20859 3.36938 2.18828 -72.34350 781.44909
4635.0000 -74.39746 -71.23265 3.16481 2.21359 -72.08837 771.64854
4640.0000 -74.98346 -72.31147 2.67199 2.18408 -72.38582 747.77953
4645.0000 -75.52390 -72.57419 2.94971 2.16177 -72.61072 713.03191
4650.0000 -75.53003 -73.16612 2.36391 2.16937 -72.53409 721.72220
4655.0000 -74.40509 -71.81067 2.59442 2.18661 -72.36036 752.74868
4660.0000 -74.83736 -71.80478 3.03257 2.19272 -72.29876 746.80700
4665.0000 -75.35146 -71.53207 3.81938 2.25073 -71.71411 828.18963
4670.0000 -75.18079 -71.01052 4.17027 2.32094 -71.00639 830.89562
4675.0000 -75.83810 -72.53607 3.30203 2.30334 -71.18377 842.76558
4680.0000 -75.71518 -72.59879 3.11639 2.18658 -72.36062 785.43598
4685.0000 -76.12793 -73.47907 2.64886 2.14111 -72.81896 756.71094
4690.0000 -76.08326 -73.86325 2.22001 2.06275 -73.60882 634.58824
4695.0000 -75.52076 -73.11216 2.40860 2.05431 -73.69387 636.82145
4700.0000 -75.65512 -73.03602 2.61910 2.11210 -73.11138 710.51330
4705.0000 -75.69061 -72.29556 3.39505 2.20303 -72.19489 792.55958
4710.0000 -75.68675 -71.76801 3.91874 2.23832 -71.83918 825.07221
4715.0000 -75.94411 -72.32378 3.62033 2.19282 -72.29779 803.01604
4720.0000 -75.29235 -72.20436 3.08799 2.23405 -71.88217 812.45901
4725.0000 -75.88574 -72.16169 3.72405 2.19823 -72.24320 767.32967
4730.0000 -76.01866 -73.01963 2.99903 2.10709 -73.16191 662.83875
4735.0000 -75.15331 -70.72831 4.42500 2.24658 -71.75592 785.30848
4740.0000 -75.25782 -72.00994 3.24788 2.25275 -71.69366 810.57950
4745.0000 -74.84108 -71.52486 3.31622 2.29051 -71.31307 825.73420
4750.0000 -74.97504 -72.44657 2.52846 2.23417 -71.88099 789.09269
FREEZING PROCESS: loop number 20 T-loop= 732.00000000000000
main_MD> interactions number 20 at Temperature= 732.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56294 0.80675 0.11451
force_rgl> df(natom) 0.32935 -0.95343 0.73453
4755.0000 -76.08588 -72.71520 3.37068 2.19599 -72.26585 783.66029
4760.0000 -75.73654 -72.97887 2.75767 2.13591 -72.87140 667.86858
4765.0000 -75.72469 -72.53736 3.18733 2.14320 -72.79792 747.40136
4770.0000 -75.13280 -72.03123 3.10158 2.21009 -72.12371 761.12495
4775.0000 -75.97512 -72.61169 3.36343 2.17479 -72.47947 746.66536
4780.0000 -74.97408 -71.60432 3.36976 2.15705 -72.65834 776.26456
4785.0000 -75.91581 -72.56556 3.35026 2.21306 -72.09374 749.94467
4790.0000 -76.07819 -72.70907 3.36912 2.14759 -72.75367 757.98702
4795.0000 -75.28802 -72.73964 2.54838 2.16719 -72.55605 741.03546
4800.0000 -75.11399 -72.57144 2.54255 2.16823 -72.54562 691.74710
4805.0000 -76.10138 -72.73081 3.37058 2.21484 -72.07582 746.48662
4810.0000 -75.42659 -72.79181 2.63478 2.12391 -72.99230 740.91443
4815.0000 -74.91901 -72.02819 2.89082 2.14684 -72.76125 735.44034
4820.0000 -74.39730 -71.29265 3.10465 2.27658 -71.45349 874.40817
4825.0000 -76.24921 -72.66366 3.58555 2.21272 -72.09718 785.63967
4830.0000 -77.30809 -75.08736 2.22073 2.00975 -74.14299 622.89323
4835.0000 -76.30272 -73.35284 2.94988 2.03609 -73.87752 617.15375
4840.0000 -75.30087 -72.39748 2.90339 2.16065 -72.62202 720.58796
4845.0000 -74.71483 -71.58390 3.13093 2.16571 -72.57101 740.68663
4850.0000 -74.60042 -70.52391 4.07651 2.22784 -71.94478 759.95423
4855.0000 -74.73867 -71.78007 2.95859 2.35153 -70.69802 866.97916
4860.0000 -74.64219 -70.94774 3.69445 2.31523 -71.06390 912.23623
4865.0000 -75.14559 -72.15342 2.99217 2.23815 -71.84088 796.90235
4870.0000 -75.80663 -72.09653 3.71010 2.18748 -72.35161 773.53491
4875.0000 -75.41485 -72.90417 2.51068 2.19354 -72.29055 753.73965
4880.0000 -75.71571 -72.57746 3.13825 2.11930 -73.03882 672.25439
4885.0000 -75.12019 -72.20768 2.91251 2.20640 -72.16092 761.26091
4890.0000 -75.67598 -73.02960 2.64638 2.19778 -72.24775 762.07007
4895.0000 -76.56304 -73.26068 3.30236 2.13899 -72.84038 757.12051
4900.0000 -76.76198 -73.90840 2.85358 2.05447 -73.69222 639.87039
4905.0000 -76.35926 -71.98988 4.36939 2.05207 -73.71641 671.72739
4910.0000 -74.83714 -71.57838 3.25876 2.22265 -71.99707 808.70633
4915.0000 -75.50380 -71.98149 3.52230 2.21935 -72.03033 850.34212
4920.0000 -75.39990 -72.90685 2.49304 2.17607 -72.46654 788.69269
4925.0000 -75.03158 -72.87265 2.15893 2.16682 -72.55983 707.73933
4930.0000 -75.89949 -72.74311 3.15638 2.11002 -73.13233 674.88860
4935.0000 -75.43049 -72.64547 2.78503 2.15641 -72.66472 733.14223
4940.0000 -76.11944 -72.88671 3.23273 2.12282 -73.00335 680.40250
4945.0000 -75.43829 -72.51238 2.92591 2.15637 -72.66513 736.02487
4950.0000 -75.63517 -72.74667 2.88850 2.18034 -72.42353 783.13959
4955.0000 -75.85864 -72.55743 3.30121 2.13861 -72.84414 718.21007
4960.0000 -75.89171 -72.26687 3.62484 2.17921 -72.43497 754.73635
4965.0000 -76.16774 -73.12955 3.03819 2.12333 -72.99816 704.62927
4970.0000 -76.09249 -73.05621 3.03628 2.11568 -73.07524 700.17197
4975.0000 -76.07801 -73.08286 2.99515 2.12449 -72.98653 682.28191
4980.0000 -75.83675 -73.22242 2.61433 2.11178 -73.11463 708.70091
4985.0000 -76.40183 -74.13121 2.27062 2.07965 -73.43846 672.68167
4990.0000 -76.13833 -73.43674 2.70159 1.97236 -74.51981 585.30187
4995.0000 -75.42824 -72.14424 3.28400 2.16782 -72.54974 710.18762
5000.0000 -75.91761 -72.76731 3.15030 2.16040 -72.62448 741.14927
FREEZING PROCESS: loop number 21 T-loop= 707.00000000000000
main_MD> interactions number 21 at Temperature= 707.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20474 1.03850 -0.64512
force_rgl> df(natom) -1.06188 -1.27249 -8.39174
5005.0000 -76.00020 -73.51879 2.48140 2.09363 -73.29753 666.98312
5010.0000 -76.82542 -73.63197 3.19346 2.05609 -73.67590 670.96781
5015.0000 -76.50189 -73.47898 3.02291 2.04304 -73.80742 665.92745
5020.0000 -76.20580 -73.03321 3.17258 2.07257 -73.50976 679.50312
5025.0000 -75.77912 -72.47207 3.30706 2.12162 -73.01546 688.51661
5030.0000 -75.85607 -72.82715 3.02893 2.13048 -72.92608 734.57058
5035.0000 -76.22819 -72.99858 3.22961 2.09804 -73.25307 700.81639
5040.0000 -76.00175 -73.22694 2.77481 2.13026 -72.92837 698.54327
5045.0000 -76.18357 -73.33147 2.85210 2.11962 -73.03559 640.66391
5050.0000 -75.72045 -72.86898 2.85147 2.10209 -73.21225 725.92168
5055.0000 -75.28737 -72.22828 3.05909 2.19564 -72.26931 776.26065
5060.0000 -76.61736 -73.23040 3.38696 2.17427 -72.48469 715.83425
5065.0000 -76.25370 -73.59301 2.66069 2.09897 -73.24368 663.27783
5070.0000 -75.85397 -72.95537 2.89859 2.07243 -73.51119 637.29594
5075.0000 -75.82330 -72.42136 3.40194 2.15749 -72.65387 759.81872
5080.0000 -75.79410 -72.03926 3.75484 2.19372 -72.28865 824.24337
5085.0000 -75.28329 -72.31986 2.96343 2.22801 -71.94304 796.99911
5090.0000 -75.67825 -72.99850 2.67975 2.11636 -73.06838 718.05482
5095.0000 -76.59564 -73.41893 3.17671 2.12727 -72.95846 742.76686
5100.0000 -75.64081 -72.87874 2.76207 2.10758 -73.15694 711.70771
5105.0000 -76.01427 -73.08446 2.92981 2.10937 -73.13890 702.43005
5110.0000 -76.07172 -73.42410 2.64762 2.09859 -73.24757 684.94480
5115.0000 -76.22832 -73.24219 2.98613 2.13130 -72.91781 697.22063
5120.0000 -75.75667 -72.70008 3.05660 2.14504 -72.77934 725.27330
5125.0000 -74.51940 -71.67095 2.84845 2.17805 -72.44662 731.40791
5130.0000 -75.67409 -72.79143 2.88265 2.20212 -72.20401 743.43509
5135.0000 -75.92964 -72.71103 3.21861 2.15113 -72.71802 736.32060
5140.0000 -75.33033 -72.14629 3.18404 2.18885 -72.33781 751.67987
5145.0000 -76.24733 -73.27344 2.97389 2.14709 -72.75872 720.23490
5150.0000 -76.14613 -73.38949 2.75664 2.07355 -73.49994 654.09536
5155.0000 -76.33393 -73.64424 2.68969 2.03990 -73.83914 625.86265
5160.0000 -76.91131 -73.82521 3.08610 2.06064 -73.63005 643.62211
5165.0000 -76.71073 -74.94782 1.76290 1.97562 -74.48700 597.17339
5170.0000 -76.22117 -73.19877 3.02241 2.00240 -74.21711 622.93680
5175.0000 -75.54997 -73.29979 2.25018 2.10551 -73.17777 696.42262
5180.0000 -75.05755 -72.06077 2.99678 2.15140 -72.71522 706.85598
5185.0000 -75.60443 -72.57762 3.02681 2.18835 -72.34283 758.73347
5190.0000 -75.58302 -73.30540 2.27761 2.15693 -72.65946 721.41329
5195.0000 -76.44429 -73.24734 3.19695 2.10127 -73.22051 688.42748
5200.0000 -76.32268 -73.09517 3.22751 2.09718 -73.26173 705.48087
5205.0000 -76.68753 -74.10385 2.58368 2.06447 -73.59144 643.93260
5210.0000 -76.73273 -74.54564 2.18708 1.99932 -74.24815 619.47715
5215.0000 -76.44558 -73.89549 2.55009 1.99438 -74.29796 588.78441
5220.0000 -76.62752 -74.57457 2.05295 1.98138 -74.42891 557.17850
5225.0000 -76.24814 -73.53950 2.70865 2.00861 -74.15452 616.60962
5230.0000 -76.16890 -72.96276 3.20614 2.15159 -72.71332 730.05577
5235.0000 -76.65862 -73.43135 3.22727 2.11938 -73.03795 676.18931
5240.0000 -76.60682 -73.63694 2.96988 2.10947 -73.13787 690.16532
5245.0000 -76.86451 -74.72399 2.14052 2.06548 -73.58123 653.84983
5250.0000 -76.40735 -73.64303 2.76433 1.97388 -74.50456 592.21564
FREEZING PROCESS: loop number 22 T-loop= 682.00000000000000
main_MD> interactions number 22 at Temperature= 682.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60821 -1.27090 3.17199
force_rgl> df(natom) 0.38119 0.43728 -3.74937
5255.0000 -75.48665 -73.05752 2.42913 2.11422 -73.09001 712.51303
5260.0000 -75.35275 -73.26700 2.08575 2.14136 -72.81644 713.48771
5265.0000 -75.62069 -72.32202 3.29867 2.17237 -72.50390 766.11819
5270.0000 -74.90734 -72.81320 2.09414 2.20514 -72.17359 778.65674
5275.0000 -75.86645 -72.85256 3.01389 2.16472 -72.58100 728.51484
5280.0000 -76.45820 -73.39187 3.06634 2.10418 -73.19120 684.53839
5285.0000 -75.61425 -71.49007 4.12418 2.16094 -72.61914 755.25334
5290.0000 -75.31753 -72.81628 2.50125 2.16863 -72.54156 755.24844
5295.0000 -75.98018 -73.24265 2.73753 2.18409 -72.38578 780.05467
5300.0000 -76.19760 -73.46155 2.73606 2.10265 -73.20662 692.00374
5305.0000 -76.13255 -73.07805 3.05451 2.07857 -73.44930 672.93904
5310.0000 -75.50669 -72.56100 2.94568 2.13334 -72.89729 749.64072
5315.0000 -75.58192 -72.57105 3.01087 2.14190 -72.81102 737.35802
5320.0000 -75.99324 -73.22276 2.77048 2.11232 -73.10917 701.70001
5325.0000 -75.02994 -72.24993 2.78000 2.11667 -73.06533 726.51008
5330.0000 -76.38200 -73.91556 2.46643 2.11475 -73.08466 702.18276
5335.0000 -76.15609 -73.47842 2.67766 2.03592 -73.87924 654.81917
5340.0000 -75.96634 -73.66692 2.29941 2.07521 -73.48315 677.54868
5345.0000 -76.16340 -73.75037 2.41303 2.03048 -73.93402 608.22782
5350.0000 -76.36303 -73.62070 2.74234 2.05227 -73.71439 664.27931
5355.0000 -76.34889 -73.65995 2.68894 2.07658 -73.46942 657.83747
5360.0000 -76.23386 -73.47628 2.75757 2.08328 -73.40185 663.65889
5365.0000 -75.91576 -71.98017 3.93559 2.14523 -72.77746 719.64319
5370.0000 -75.59562 -72.65399 2.94162 2.10675 -73.16527 709.11344
5375.0000 -75.81831 -72.24383 3.57448 2.15872 -72.64144 763.17941
5380.0000 -75.29639 -72.34837 2.94802 2.22218 -72.00179 838.07165
5385.0000 -75.96515 -73.32935 2.63580 2.11015 -73.13101 706.68849
5390.0000 -75.76134 -73.34640 2.41494 2.06512 -73.58489 655.87844
5395.0000 -76.16452 -73.18770 2.97681 2.06166 -73.61980 670.32296
5400.0000 -76.01280 -72.94220 3.07060 2.10376 -73.19542 704.97591
5405.0000 -75.77331 -72.27528 3.49803 2.11347 -73.09759 707.16641
5410.0000 -76.05252 -73.19603 2.85649 2.15671 -72.66168 774.06377
5415.0000 -76.16725 -73.53303 2.63422 2.07295 -73.50597 666.10710
5420.0000 -76.09908 -73.19291 2.90617 2.08922 -73.34202 686.80059
5425.0000 -76.56440 -72.71434 3.85006 2.12063 -73.02540 708.61056
5430.0000 -75.56522 -72.42945 3.13577 2.17417 -72.48577 818.76030
5435.0000 -76.86927 -74.05610 2.81317 2.14358 -72.79405 734.22292
5440.0000 -76.16736 -73.67236 2.49500 2.05147 -73.72246 615.89355
5445.0000 -76.00681 -73.22362 2.78320 2.07123 -73.52332 679.69228
5450.0000 -76.43464 -73.24492 3.18972 2.08582 -73.37626 685.00428
5455.0000 -76.43465 -72.81217 3.62248 2.13127 -72.91814 753.59417
5460.0000 -75.84534 -73.41921 2.42613 2.11237 -73.10859 731.91840
5465.0000 -76.87538 -74.34994 2.52544 2.00780 -74.16267 622.08144
5470.0000 -76.32532 -73.78203 2.54329 2.01716 -74.06832 616.98240
5475.0000 -76.05044 -73.00084 3.04960 2.10161 -73.21714 691.92449
5480.0000 -76.07764 -73.60818 2.46946 2.09852 -73.24827 681.34106
5485.0000 -76.93760 -74.28953 2.64807 2.04196 -73.81833 639.43596
5490.0000 -75.58601 -73.37678 2.20923 2.04757 -73.76179 652.71101
5495.0000 -75.10303 -72.45845 2.64458 2.05757 -73.66100 682.34481
5500.0000 -75.85611 -72.13006 3.72605 2.19600 -72.26569 756.31864
FREEZING PROCESS: loop number 23 T-loop= 657.00000000000000
main_MD> interactions number 23 at Temperature= 657.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33571 3.56896 -0.92368
force_rgl> df(natom) 1.12752 -0.99282 0.88884
5505.0000 -75.42366 -72.14345 3.28020 2.15617 -72.66718 737.06651
5510.0000 -75.73048 -73.45922 2.27126 2.15933 -72.63532 729.01450
5515.0000 -76.45567 -73.51672 2.93895 2.05567 -73.68010 652.14594
5520.0000 -76.98323 -74.00856 2.97467 2.04727 -73.76478 643.60043
5525.0000 -76.30076 -73.59209 2.70866 2.05978 -73.63867 669.76080
5530.0000 -76.15801 -73.26974 2.88827 2.05947 -73.64182 676.46703
5535.0000 -76.52356 -73.82536 2.69820 2.06031 -73.63334 649.38125
5540.0000 -76.56852 -74.23480 2.33373 2.06043 -73.63212 656.01893
5545.0000 -77.32336 -74.50196 2.82140 1.98150 -74.42774 602.27708
5550.0000 -76.44825 -74.01579 2.43246 1.97056 -74.53801 572.42764
5555.0000 -74.94767 -72.35080 2.59686 2.08440 -73.39056 648.35727
5560.0000 -76.55012 -73.46112 3.08900 2.14566 -72.77311 743.06031
5565.0000 -76.68230 -73.35202 3.33028 2.10768 -73.15587 699.06371
5570.0000 -76.45331 -73.26500 3.18831 2.04623 -73.77531 641.63679
5575.0000 -75.88817 -73.48729 2.40089 2.12395 -72.99194 720.05060
5580.0000 -76.11644 -72.94514 3.17129 2.06041 -73.63240 647.48950
5585.0000 -76.29632 -72.89324 3.40308 2.16073 -72.62122 722.05498
5590.0000 -76.51207 -73.45699 3.05508 2.10795 -73.15323 680.20817
5595.0000 -76.36904 -73.99416 2.37488 2.06454 -73.59071 661.57089
5600.0000 -76.19851 -73.51774 2.68078 2.02434 -73.99590 624.75881
5605.0000 -76.63795 -74.57117 2.06678 2.06334 -73.60285 686.48265
5610.0000 -76.64895 -74.11441 2.53454 1.99784 -74.26306 600.88733
5615.0000 -75.75800 -73.44230 2.31570 2.08493 -73.38520 690.72428
5620.0000 -76.47451 -73.59542 2.87909 2.01889 -74.05087 614.67809
5625.0000 -77.00150 -73.87996 3.12154 2.03915 -73.84661 639.94056
5630.0000 -76.70854 -73.38112 3.32742 2.06849 -73.55092 653.37320
5635.0000 -76.14834 -73.32554 2.82280 2.12684 -72.96284 716.36010
5640.0000 -76.46224 -73.60431 2.85792 2.06612 -73.57485 658.95381
5645.0000 -76.69192 -74.29954 2.39238 2.04603 -73.77730 675.74295
5650.0000 -75.90797 -73.03522 2.87275 2.06170 -73.61934 674.80410
5655.0000 -77.46912 -74.81971 2.64941 2.00343 -74.20672 640.49199
5660.0000 -76.93754 -74.83525 2.10229 1.94970 -74.74825 575.68050
5665.0000 -75.62627 -72.11311 3.51316 2.05487 -73.68819 633.68314
5670.0000 -75.61686 -72.92902 2.68784 2.12658 -72.96546 745.59138
5675.0000 -75.83915 -73.26839 2.57075 2.12954 -72.93561 691.31387
5680.0000 -76.74432 -73.10670 3.63763 2.08500 -73.38450 683.69713
5685.0000 -76.58136 -73.49200 3.08936 2.07180 -73.51752 665.03642
5690.0000 -75.96536 -73.16974 2.79562 2.11282 -73.10413 684.96263
5695.0000 -75.45871 -72.24359 3.21512 2.15914 -72.63726 756.06308
5700.0000 -76.12239 -73.20062 2.92177 2.14399 -72.78994 702.74727
5705.0000 -75.56206 -72.68679 2.87527 2.16176 -72.61087 709.36861
5710.0000 -75.20307 -71.83891 3.36416 2.15341 -72.69499 746.60174
5715.0000 -76.32204 -73.84061 2.48143 2.14070 -72.82310 758.18880
5720.0000 -76.51216 -73.44989 3.06227 2.08055 -73.42937 684.85991
5725.0000 -76.42134 -74.35522 2.06612 1.99885 -74.25283 592.92444
5730.0000 -76.55419 -74.43232 2.12186 1.98863 -74.35585 618.56924
5735.0000 -77.10507 -75.08365 2.02141 1.95685 -74.67622 559.85027
5740.0000 -76.80330 -74.39509 2.40821 1.96707 -74.57316 581.26289
5745.0000 -76.94387 -73.95537 2.98850 2.01487 -74.09140 611.38374
5750.0000 -76.97618 -73.99975 2.97644 2.02074 -74.03222 614.46377
FREEZING PROCESS: loop number 24 T-loop= 632.00000000000000
main_MD> interactions number 24 at Temperature= 632.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14747 1.38482 0.38769
force_rgl> df(natom) -0.14078 -0.40465 -0.50584
5755.0000 -76.76108 -74.60883 2.15224 2.00951 -74.14543 626.86197
5760.0000 -76.67595 -73.74806 2.92788 1.97857 -74.45725 576.17631
5765.0000 -75.94699 -72.65029 3.29670 2.11206 -73.11175 646.17683
5770.0000 -76.78441 -73.66237 3.12204 2.13462 -72.88441 749.49479
5775.0000 -76.93616 -74.83267 2.10349 1.97040 -74.53960 575.22562
5780.0000 -76.95635 -74.50318 2.45317 1.97167 -74.52684 581.48323
5785.0000 -76.76498 -74.03841 2.72657 1.98572 -74.38517 584.96967
5790.0000 -76.46540 -74.13671 2.32869 2.02475 -73.99182 630.26749
5795.0000 -76.54518 -73.92274 2.62245 2.04586 -73.77901 616.05229
5800.0000 -76.24008 -73.76393 2.47615 2.06093 -73.62716 655.61872
5805.0000 -75.89952 -73.12842 2.77110 2.04554 -73.78228 606.36348
5810.0000 -76.27172 -73.15244 3.11928 2.12033 -73.02842 669.43271
5815.0000 -77.10421 -74.48902 2.61520 2.05467 -73.69021 658.15559
5820.0000 -76.45357 -73.75736 2.69620 2.01265 -74.11376 639.32982
5825.0000 -76.48817 -73.84905 2.63912 2.04993 -73.73796 638.83020
5830.0000 -76.72415 -73.92051 2.80364 2.05822 -73.65441 659.33560
5835.0000 -76.16677 -73.76999 2.39678 2.06040 -73.63244 632.98728
5840.0000 -75.98213 -73.44509 2.53704 2.01132 -74.12716 601.02722
5845.0000 -75.58932 -73.11554 2.47378 2.11928 -73.03895 681.63729
5850.0000 -76.68455 -74.00192 2.68263 2.10023 -73.23098 701.26600
5855.0000 -76.72850 -74.02465 2.70386 2.03515 -73.88695 622.29505
5860.0000 -77.50629 -74.74126 2.76502 2.00878 -74.15281 632.41904
5865.0000 -76.41509 -74.68135 1.73374 1.96971 -74.54661 587.77083
5870.0000 -77.12487 -74.31852 2.80634 1.95963 -74.64822 594.41094
5875.0000 -76.20527 -73.79022 2.41505 1.99126 -74.32934 594.03771
5880.0000 -76.74208 -73.85261 2.88947 2.03006 -73.93824 631.20866
5885.0000 -76.86781 -74.43464 2.43317 2.00168 -74.22434 602.60769
5890.0000 -76.96339 -74.88584 2.07755 1.99405 -74.30121 580.95173
5895.0000 -76.82535 -73.83607 2.98928 2.01359 -74.10429 600.84038
5900.0000 -76.79347 -74.28449 2.50897 2.00685 -74.17224 608.22897
5905.0000 -76.30280 -73.71752 2.58528 2.04820 -73.75547 632.15246
5910.0000 -75.40037 -73.20459 2.19578 2.12098 -73.02189 735.15041
5915.0000 -75.67617 -72.78141 2.89476 2.12630 -72.96822 736.07100
5920.0000 -76.32393 -73.26379 3.06014 2.21179 -72.10652 818.06846
5925.0000 -75.44652 -72.84859 2.59793 2.07787 -73.45642 695.91794
5930.0000 -76.04461 -73.25182 2.79279 2.09250 -73.30893 654.51815
5935.0000 -76.45911 -74.04641 2.41269 2.10631 -73.16968 700.42170
5940.0000 -76.71730 -73.57922 3.13808 2.02387 -74.00071 600.46218
5945.0000 -76.43438 -74.14388 2.29050 2.05029 -73.73436 650.70766
5950.0000 -76.69122 -74.45550 2.23573 1.99436 -74.29809 588.73596
5955.0000 -77.19689 -74.68386 2.51303 1.97135 -74.53008 591.22276
5960.0000 -77.27451 -75.00850 2.26601 1.95746 -74.67003 594.14297
5965.0000 -76.92760 -74.48657 2.44103 1.96814 -74.56237 559.37485
5970.0000 -76.86429 -74.36519 2.49910 2.00195 -74.22164 612.19524
5975.0000 -76.36113 -73.63992 2.72122 2.02435 -73.99588 641.19974
5980.0000 -76.43912 -74.32834 2.11078 2.02344 -74.00497 582.44319
5985.0000 -75.78291 -73.13691 2.64600 2.03454 -73.89308 603.30013
5990.0000 -77.33412 -74.12734 3.20678 2.10548 -73.17814 706.48057
5995.0000 -77.06814 -74.56902 2.49912 1.98977 -74.34441 585.43364
6000.0000 -76.83101 -74.24319 2.58783 1.98695 -74.37283 596.06235
FREEZING PROCESS: loop number 25 T-loop= 607.00000000000000
main_MD> interactions number 25 at Temperature= 607.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64284 -0.97974 -0.35208
force_rgl> df(natom) -0.43823 1.76273 -1.19997
6005.0000 -76.78722 -74.69857 2.08864 2.01401 -74.10006 637.46727
6010.0000 -76.43583 -74.05525 2.38058 1.95823 -74.66223 572.77725
6015.0000 -76.67568 -74.29707 2.37860 1.97362 -74.50716 595.98377
6020.0000 -76.88113 -73.98439 2.89674 2.03194 -73.91936 600.47722
6025.0000 -76.67571 -74.26951 2.40619 2.01060 -74.13446 604.52860
6030.0000 -77.54669 -74.69499 2.85169 1.95172 -74.72786 545.37723
6035.0000 -76.91653 -74.72133 2.19520 1.94731 -74.77236 557.32610
6040.0000 -77.53618 -74.49326 3.04292 1.98426 -74.39987 595.48851
6045.0000 -77.17556 -75.13472 2.04084 1.91487 -75.09930 521.65821
6050.0000 -77.21752 -74.41933 2.79820 1.96783 -74.56551 579.80247
6055.0000 -76.76302 -74.02828 2.73474 2.00039 -74.23730 624.11447
6060.0000 -76.07575 -73.62717 2.44858 2.07369 -73.49850 648.15389
6065.0000 -76.77325 -74.34497 2.42827 2.02805 -73.95849 601.58936
6070.0000 -77.33385 -74.74274 2.59111 1.98444 -74.39810 596.61086
6075.0000 -76.24175 -73.92158 2.32018 1.95228 -74.72227 582.73217
6080.0000 -76.35966 -74.56540 1.79425 1.99720 -74.26953 573.20846
6085.0000 -76.18234 -73.82795 2.35439 1.98329 -74.40967 582.31813
6090.0000 -77.05808 -74.46185 2.59622 2.01340 -74.10621 629.36540
6095.0000 -76.67796 -74.12967 2.54829 1.97504 -74.49286 571.98371
6100.0000 -77.23863 -74.17261 3.06601 2.03355 -73.90310 614.36534
6105.0000 -77.15793 -74.29089 2.86703 2.00517 -74.18911 595.27640
6110.0000 -76.98760 -74.61680 2.37080 1.99292 -74.31259 595.75116
6115.0000 -76.09280 -73.64960 2.44319 1.98211 -74.42158 564.55149
6120.0000 -76.27820 -73.84593 2.43227 2.05816 -73.65508 647.70384
6125.0000 -77.11846 -74.32205 2.79641 2.02653 -73.97381 602.52669
6130.0000 -77.34238 -74.99565 2.34673 1.95864 -74.65816 560.77447
6135.0000 -77.34167 -74.91341 2.42826 1.89917 -75.25756 533.22405
6140.0000 -75.86083 -73.53934 2.32149 1.99353 -74.30646 603.14384
6145.0000 -76.84185 -73.77574 3.06611 2.05937 -73.64285 689.53292
6150.0000 -76.84479 -74.35759 2.48720 1.99922 -74.24908 609.15813
6155.0000 -76.70177 -74.07280 2.62897 1.98763 -74.36599 607.85083
6160.0000 -76.82559 -74.44661 2.37898 1.99268 -74.31504 609.84363
6165.0000 -76.72932 -74.40580 2.32352 2.01699 -74.07004 623.91963
6170.0000 -76.22919 -73.73638 2.49282 2.00011 -74.24020 628.92515
6175.0000 -76.65030 -73.46565 3.18466 2.07629 -73.47232 652.02760
6180.0000 -76.24503 -73.57070 2.67432 2.08400 -73.39463 692.42382
6185.0000 -76.80328 -74.62437 2.17890 2.04128 -73.82519 615.99693
6190.0000 -76.49059 -74.37991 2.11068 2.03031 -73.93580 612.18149
6195.0000 -76.02185 -73.20775 2.81410 2.02937 -73.94518 621.86079
6200.0000 -76.36115 -73.97730 2.38385 2.04906 -73.74677 640.89744
6205.0000 -76.74419 -74.12397 2.62022 2.01364 -74.10382 622.59622
6210.0000 -76.16888 -73.42875 2.74013 2.02066 -74.03305 624.02019
6215.0000 -77.04842 -74.04793 3.00049 2.03573 -73.88117 611.01992
6220.0000 -76.71032 -73.83078 2.87955 2.02054 -74.03425 617.24590
6225.0000 -76.61909 -73.52096 3.09813 2.07408 -73.49460 682.70533
6230.0000 -76.54526 -74.19566 2.34961 1.98397 -74.40285 601.33886
6235.0000 -76.21880 -73.97403 2.24477 1.98534 -74.38905 585.79368
6240.0000 -76.17549 -73.96271 2.21279 2.05658 -73.67096 630.09696
6245.0000 -76.43028 -73.74962 2.68066 2.08143 -73.42052 696.12004
6250.0000 -77.59474 -75.73237 1.86237 1.92886 -74.95834 549.00486
FREEZING PROCESS: loop number 26 T-loop= 582.00000000000000
main_MD> interactions number 26 at Temperature= 582.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01209 1.00768 -1.62642
force_rgl> df(natom) 0.12490 -0.80462 -0.16318
6255.0000 -76.84003 -74.54132 2.29871 1.92960 -74.95084 549.15817
6260.0000 -77.12222 -74.85225 2.26998 2.00829 -74.15767 614.84650
6265.0000 -76.64537 -73.88512 2.76025 2.01852 -74.05461 599.48511
6270.0000 -77.51181 -75.11906 2.39275 1.95783 -74.66630 578.85209
6275.0000 -77.09506 -74.90081 2.19425 1.93168 -74.92988 520.73016
6280.0000 -76.89432 -74.62548 2.26884 1.94329 -74.81291 539.22141
6285.0000 -77.51853 -75.59461 1.92392 1.90103 -75.23886 506.55996
6290.0000 -76.74662 -74.91836 1.82826 1.93225 -74.92411 525.90164
6295.0000 -76.88830 -74.40206 2.48624 1.97562 -74.48700 569.29601
6300.0000 -76.50914 -73.92466 2.58449 2.01802 -74.05963 627.36677
6305.0000 -76.42852 -73.87090 2.55762 2.02495 -73.98980 582.43439
6310.0000 -76.22163 -72.67866 3.54297 2.12662 -72.96506 734.27952
6315.0000 -77.12713 -74.33163 2.79551 2.07775 -73.45758 669.90514
6320.0000 -76.61956 -73.57466 3.04490 2.01514 -74.08863 600.36029
6325.0000 -76.50232 -74.30319 2.19913 2.02409 -73.99847 600.68424
6330.0000 -77.24805 -73.97209 3.27596 1.99269 -74.31492 595.40616
6335.0000 -76.84294 -74.07655 2.76640 2.02691 -73.97002 641.43293
6340.0000 -75.37849 -73.08165 2.29685 2.07271 -73.50841 669.77632
6345.0000 -76.68240 -73.90600 2.77641 2.09615 -73.27210 650.14336
6350.0000 -76.19442 -74.34174 1.85268 2.01984 -74.04125 622.99066
6355.0000 -77.06101 -73.81239 3.24862 2.02236 -74.01586 629.58136
6360.0000 -76.95277 -74.89463 2.05815 1.96879 -74.55584 597.91122
6365.0000 -77.57683 -74.49350 3.08333 1.96781 -74.56575 557.02717
6370.0000 -77.13159 -74.95312 2.17847 1.94950 -74.75022 537.77953
6375.0000 -76.33473 -74.10356 2.23117 1.97937 -74.44918 563.12958
6380.0000 -76.65703 -73.90555 2.75149 2.02643 -73.97483 609.57921
6385.0000 -76.76870 -74.26794 2.50076 2.00139 -74.22720 614.43794
6390.0000 -76.46138 -73.46302 2.99836 2.09817 -73.25180 700.01705
6395.0000 -76.69651 -73.90088 2.79563 2.06350 -73.60121 675.48119
6400.0000 -76.58749 -73.81460 2.77289 2.03946 -73.84354 661.95421
6405.0000 -76.51909 -73.79029 2.72880 2.06124 -73.62398 672.81563
6410.0000 -77.12406 -74.59065 2.53341 2.00522 -74.18866 604.09655
6415.0000 -77.32090 -74.93759 2.38330 1.94090 -74.83693 531.70452
6420.0000 -77.73201 -75.01307 2.71894 1.93106 -74.93616 555.44599
6425.0000 -77.36425 -75.06990 2.29435 1.92097 -75.03784 544.73596
6430.0000 -77.12508 -74.47630 2.64878 1.97854 -74.45760 556.75438
6435.0000 -77.39873 -74.97497 2.42376 1.89742 -75.27516 492.56625
6440.0000 -76.84985 -75.04650 1.80334 1.91868 -75.06094 522.99200
6445.0000 -77.28542 -75.32659 1.95883 1.88842 -75.36589 494.45830
6450.0000 -77.20346 -74.81961 2.38385 1.91813 -75.06647 515.95938
6455.0000 -77.09403 -74.33481 2.75922 1.94187 -74.82719 547.91815
6460.0000 -76.49247 -74.28308 2.20939 1.96218 -74.62251 570.67488
6465.0000 -76.66484 -74.09203 2.57280 2.03287 -73.90993 631.06899
6470.0000 -75.42076 -73.03700 2.38376 2.05783 -73.65839 674.53741
6475.0000 -76.61981 -74.64153 1.97828 2.00697 -74.17105 627.88158
6480.0000 -77.07044 -75.15613 1.91431 1.94729 -74.77257 571.37724
6485.0000 -76.73390 -74.42782 2.30608 1.93036 -74.94320 527.07472
6490.0000 -77.31641 -75.05699 2.25942 1.98809 -74.36126 565.44047
6495.0000 -77.73883 -74.71716 3.02167 1.91448 -75.10324 527.77072
6500.0000 -76.85733 -74.97610 1.88123 1.91563 -75.09169 540.10910
FREEZING PROCESS: loop number 27 T-loop= 557.00000000000000
main_MD> interactions number 27 at Temperature= 557.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39592 1.27791 2.22182
force_rgl> df(natom) -0.01854 0.07629 1.25082
6505.0000 -76.98250 -74.80895 2.17355 1.93813 -74.86491 521.44550
6510.0000 -77.78985 -74.71386 3.07599 1.89881 -75.26122 505.89137
6515.0000 -77.31426 -75.36262 1.95164 1.91562 -75.09175 525.89443
6520.0000 -77.05738 -74.51439 2.54300 1.94564 -74.78918 549.84163
6525.0000 -76.94596 -74.95847 1.98749 1.96123 -74.63208 569.15016
6530.0000 -77.09940 -74.90950 2.18989 1.93408 -74.90566 520.04605
6535.0000 -77.04852 -74.56204 2.48647 1.94553 -74.79028 534.78035
6540.0000 -77.10811 -74.54002 2.56809 1.93943 -74.85181 543.21664
6545.0000 -77.40582 -75.01110 2.39472 1.93337 -74.91287 543.27609
6550.0000 -77.54144 -75.76345 1.77799 1.89027 -75.34723 500.94887
6555.0000 -77.33696 -74.90229 2.43467 1.92816 -74.96535 546.66175
6560.0000 -77.26011 -74.52358 2.73653 1.92041 -75.04352 536.72939
6565.0000 -77.66493 -75.09756 2.56737 1.92671 -74.97998 552.34448
6570.0000 -77.17391 -74.79700 2.37691 1.96428 -74.60131 578.95863
6575.0000 -76.18238 -73.41639 2.76599 2.05043 -73.73295 652.70270
6580.0000 -76.72129 -74.39582 2.32547 2.02406 -73.99876 622.19842
6585.0000 -77.06128 -74.53555 2.52573 1.97385 -74.50482 587.31292
6590.0000 -76.41512 -74.79656 1.61855 1.93244 -74.92227 518.70047
6595.0000 -76.77312 -74.57837 2.19475 1.92874 -74.95956 524.19763
6600.0000 -77.15316 -75.58573 1.56743 1.90874 -75.16108 508.52649
6605.0000 -77.20822 -74.83828 2.36994 1.89001 -75.34985 486.69490
6610.0000 -76.83794 -74.70937 2.12857 1.96912 -74.55255 567.04242
6615.0000 -77.30567 -74.85613 2.44954 1.95094 -74.73579 571.74610
6620.0000 -76.56746 -74.19040 2.37706 1.97639 -74.47925 594.44190
6625.0000 -77.45407 -75.14642 2.30764 1.98389 -74.40369 584.27738
6630.0000 -76.92311 -74.27551 2.64761 1.91416 -75.10644 517.38874
6635.0000 -76.73799 -74.80260 1.93539 2.01674 -74.07250 600.33049
6640.0000 -77.15222 -74.67911 2.47311 1.98596 -74.38277 581.70639
6645.0000 -77.06295 -74.39052 2.67243 2.00246 -74.21645 600.12009
6650.0000 -76.34233 -74.51312 1.82922 1.97931 -74.44976 579.86400
6655.0000 -76.79462 -73.77604 3.01858 1.97841 -74.45884 585.65270
6660.0000 -76.61659 -74.67249 1.94410 1.99254 -74.31642 627.84666
6665.0000 -77.06952 -74.91493 2.15459 1.94929 -74.75240 583.65226
6670.0000 -77.07755 -74.80860 2.26895 1.95459 -74.69893 573.60939
6675.0000 -76.28274 -73.82611 2.45663 1.97577 -74.48552 596.38212
6680.0000 -76.83459 -73.95332 2.88127 2.08481 -73.38644 682.20636
6685.0000 -77.06239 -75.07203 1.99036 2.00337 -74.20734 634.80698
6690.0000 -77.14029 -75.25782 1.88247 1.89574 -75.29214 500.79010
6695.0000 -77.34368 -74.08454 3.25914 1.94495 -74.79617 560.75244
6700.0000 -77.07303 -74.69254 2.38050 1.98004 -74.44240 589.13167
6705.0000 -77.29728 -74.69713 2.60015 1.96261 -74.61813 585.57475
6710.0000 -77.26461 -74.76397 2.50063 1.94950 -74.75031 548.04818
6715.0000 -76.43993 -74.13360 2.30633 1.97498 -74.49343 542.38023
6720.0000 -76.05586 -73.59761 2.45825 2.05712 -73.66549 630.17707
6725.0000 -75.79918 -73.28533 2.51385 2.09259 -73.30799 695.29448
6730.0000 -76.23614 -74.40504 1.83111 2.03236 -73.91505 597.26687
6735.0000 -76.73109 -74.57060 2.16049 1.95905 -74.65402 546.24788
6740.0000 -76.59319 -74.49983 2.09336 1.97260 -74.51745 564.27499
6745.0000 -77.04306 -74.91979 2.12327 1.96577 -74.58632 568.00639
6750.0000 -77.22767 -74.44475 2.78292 1.93545 -74.89188 537.77541
FREEZING PROCESS: loop number 28 T-loop= 532.00000000000000
main_MD> interactions number 28 at Temperature= 532.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49000 -1.58696 0.80407
force_rgl> df(natom) 1.85382 -0.39374 0.97023
6755.0000 -77.57114 -75.74402 1.82712 1.94528 -74.79283 550.81694
6760.0000 -78.23634 -76.13217 2.10417 1.84335 -75.82022 465.72004
6765.0000 -76.86262 -74.97051 1.89211 1.83992 -75.85480 438.20008
6770.0000 -77.13370 -74.93394 2.19976 1.94885 -74.75678 551.81797
6775.0000 -77.26946 -74.70170 2.56776 1.93321 -74.91451 517.61682
6780.0000 -77.49596 -75.36395 2.13200 1.91538 -75.09419 536.08876
6785.0000 -76.91299 -74.68225 2.23075 1.93975 -74.84854 579.17669
6790.0000 -77.19653 -74.73981 2.45672 1.98468 -74.39568 609.04875
6795.0000 -77.34899 -74.77795 2.57104 1.98866 -74.35561 614.12513
6800.0000 -77.54014 -75.13663 2.40351 1.92444 -75.00291 535.42814
6805.0000 -77.09534 -74.32039 2.77495 1.95169 -74.72815 575.79960
6810.0000 -77.24499 -74.84836 2.39663 1.98047 -74.43809 573.25995
6815.0000 -77.24743 -75.07439 2.17304 1.95346 -74.71031 567.95633
6820.0000 -77.19349 -74.19266 3.00083 1.94069 -74.83908 551.17337
6825.0000 -77.37153 -74.38755 2.98397 2.01643 -74.07569 610.90543
6830.0000 -76.79179 -74.23193 2.55986 1.96135 -74.63085 573.68482
6835.0000 -77.00644 -75.04430 1.96213 1.94728 -74.77269 526.28588
6840.0000 -77.17386 -74.78883 2.38503 1.95362 -74.70872 542.36736
6845.0000 -77.77421 -76.29966 1.47455 1.87537 -75.49746 494.97353
6850.0000 -77.98071 -76.41561 1.56509 1.80492 -76.20752 442.30863
6855.0000 -78.14809 -76.02850 2.11959 1.82687 -75.98628 451.85631
6860.0000 -76.96866 -74.69116 2.27750 1.96021 -74.64228 566.67234
6865.0000 -77.39463 -75.38911 2.00553 1.95457 -74.69917 554.61425
6870.0000 -77.29260 -75.15988 2.13272 1.90798 -75.16878 527.17611
6875.0000 -77.66868 -75.62306 2.04561 1.87256 -75.52575 479.74366
6880.0000 -77.03876 -74.64583 2.39293 1.91668 -75.08108 524.14483
6885.0000 -77.42598 -74.91875 2.50724 1.95518 -74.69301 577.89293
6890.0000 -77.49307 -75.64236 1.85070 1.87707 -75.48034 495.31649
6895.0000 -76.73837 -74.83156 1.90681 1.92525 -74.99472 552.13821
6900.0000 -77.10902 -74.75475 2.35426 1.94679 -74.77754 532.10583
6905.0000 -76.90740 -74.06362 2.84377 2.00020 -74.23925 607.84802
6910.0000 -76.90728 -74.44246 2.46481 2.00460 -74.19489 607.30405
6915.0000 -76.70260 -74.97981 1.72279 1.95726 -74.67207 517.88532
6920.0000 -77.31700 -74.97845 2.33855 1.91457 -75.10238 492.50289
6925.0000 -77.87033 -75.30887 2.56145 1.93066 -74.94020 537.62893
6930.0000 -77.39640 -75.20365 2.19275 1.93395 -74.90703 525.96290
6935.0000 -77.46071 -75.46725 1.99346 1.91025 -75.14590 531.41205
6940.0000 -77.06393 -74.63369 2.43024 1.90209 -75.22816 538.29131
6945.0000 -76.59821 -74.87304 1.72517 1.95099 -74.73522 552.43826
6950.0000 -76.62661 -74.64253 1.98408 1.96332 -74.61097 551.56530
6955.0000 -77.32198 -75.00551 2.31647 1.95427 -74.70222 573.64247
6960.0000 -77.14778 -75.26164 1.88615 1.90940 -75.15441 517.05077
6965.0000 -77.56752 -75.57836 1.98916 1.89484 -75.30124 481.27421
6970.0000 -77.83908 -75.95174 1.88733 1.85734 -75.67914 457.48995
6975.0000 -77.95266 -76.02026 1.93241 1.83425 -75.91189 447.44782
6980.0000 -77.38310 -75.90226 1.48084 1.82687 -75.98634 435.93330
6985.0000 -76.82677 -75.18016 1.64661 1.88862 -75.36395 496.04858
6990.0000 -77.00453 -75.30961 1.69492 1.90588 -75.18997 518.51363
6995.0000 -76.83656 -74.65926 2.17730 1.92460 -75.00127 544.94910
7000.0000 -76.90140 -74.84623 2.05517 1.91914 -75.05624 491.72930
FREEZING PROCESS: loop number 29 T-loop= 507.00000000000000
main_MD> interactions number 29 at Temperature= 507.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81357 -0.66173 2.02281
force_rgl> df(natom) 0.21914 2.65738 -1.20581
7005.0000 -76.38096 -74.50662 1.87435 1.92232 -75.02422 528.60752
7010.0000 -77.42302 -75.25863 2.16439 1.93979 -74.84818 514.07786
7015.0000 -77.38140 -75.19017 2.19123 1.87583 -75.49282 461.83385
7020.0000 -77.80950 -75.44475 2.36474 1.88563 -75.39408 510.78480
7025.0000 -77.15222 -74.49164 2.66059 1.93278 -74.91879 569.94269
7030.0000 -77.21013 -75.21110 1.99903 1.93726 -74.87366 561.63105
7035.0000 -77.33054 -75.06748 2.26307 1.92215 -75.02594 550.97578
7040.0000 -77.48043 -75.56204 1.91839 1.89398 -75.30989 511.94394
7045.0000 -77.26103 -75.21433 2.04671 1.91108 -75.13755 530.89954
7050.0000 -77.30454 -75.18193 2.12260 1.91600 -75.08793 536.77403
7055.0000 -77.74103 -75.88109 1.85995 1.88022 -75.44859 458.77327
7060.0000 -77.54966 -75.25397 2.29568 1.85139 -75.73918 466.24501
7065.0000 -77.09772 -75.21239 1.88533 1.88521 -75.39825 493.84944
7070.0000 -77.79876 -75.85047 1.94829 1.89764 -75.27302 504.39838
7075.0000 -77.22342 -74.75190 2.47152 1.91268 -75.12141 526.11166
7080.0000 -77.45238 -75.43117 2.02122 1.90445 -75.20430 525.67726
7085.0000 -76.90798 -75.06672 1.84125 1.88536 -75.39674 502.84695
7090.0000 -77.30148 -74.72835 2.57314 1.88249 -75.42569 487.66065
7095.0000 -76.67543 -74.43629 2.23914 1.93881 -74.85802 510.22652
7100.0000 -77.05283 -74.55966 2.49317 1.94567 -74.78883 500.18615
7105.0000 -76.77131 -74.30979 2.46152 1.97737 -74.46932 590.57925
7110.0000 -77.14315 -75.15646 1.98669 1.94557 -74.78987 546.54997
7115.0000 -77.56815 -75.61382 1.95433 1.91086 -75.13971 522.55485
7120.0000 -77.71431 -75.62913 2.08518 1.87542 -75.49691 495.82320
7125.0000 -77.16733 -75.31169 1.85563 1.88964 -75.35367 510.17348
7130.0000 -77.15031 -74.93878 2.21153 1.90611 -75.18763 487.40936
7135.0000 -77.25138 -75.39915 1.85223 1.88961 -75.35393 456.67825
7140.0000 -77.25040 -75.23615 2.01425 1.86576 -75.59428 451.24758
7145.0000 -77.48531 -75.80393 1.68138 1.87294 -75.52190 492.37616
7150.0000 -77.22600 -75.49540 1.73060 1.84096 -75.84431 445.12553
7155.0000 -76.78451 -74.66395 2.12055 1.96218 -74.62247 551.01449
7160.0000 -77.45857 -75.05152 2.40704 1.92495 -74.99774 543.54727
7165.0000 -77.57284 -75.63216 1.94068 1.88140 -75.43668 513.90099
7170.0000 -77.86080 -76.47507 1.38573 1.83599 -75.89433 439.12571
7175.0000 -78.01744 -76.24193 1.77551 1.80012 -76.25592 407.42202
7180.0000 -77.58471 -75.42347 2.16124 1.83286 -75.92590 447.87171
7185.0000 -77.79192 -75.46486 2.32707 1.87358 -75.51555 490.71043
7190.0000 -76.76724 -74.76545 2.00179 1.88869 -75.36320 502.10322
7195.0000 -77.39457 -75.03700 2.35757 1.91632 -75.08469 547.03746
7200.0000 -77.06774 -74.67042 2.39732 1.92052 -75.04237 545.62446
7205.0000 -77.10066 -74.51638 2.58429 1.96726 -74.57121 571.46389
7210.0000 -77.70629 -75.52713 2.17917 1.91724 -75.07541 537.13962
7215.0000 -77.25233 -74.88983 2.36251 1.87874 -75.46345 485.22372
7220.0000 -76.21485 -74.00382 2.21103 1.98026 -74.44026 573.22489
7225.0000 -76.42628 -74.00337 2.42291 2.01659 -74.07405 578.02374
7230.0000 -76.45332 -73.83945 2.61387 2.02666 -73.97253 575.91220
7235.0000 -77.00285 -74.09601 2.90684 2.03630 -73.87537 600.10869
7240.0000 -77.51215 -75.12692 2.38524 1.96240 -74.62028 565.29715
7245.0000 -77.21062 -75.37573 1.83490 1.90913 -75.15721 536.62190
7250.0000 -77.48993 -75.61252 1.87741 1.88277 -75.42287 506.10369
FREEZING PROCESS: loop number 30 T-loop= 482.00000000000000
main_MD> interactions number 30 at Temperature= 482.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.95883 -2.07641 -0.58954
force_rgl> df(natom) -0.97381 1.72129 -3.34691
7255.0000 -76.85785 -74.74596 2.11190 1.93045 -74.94223 525.40264
7260.0000 -77.77049 -75.87923 1.89126 1.88625 -75.38779 487.75538
7265.0000 -77.64622 -75.59797 2.04825 1.87676 -75.48340 492.93805
7270.0000 -77.74782 -75.38550 2.36231 1.86526 -75.59931 460.53144
7275.0000 -77.27930 -75.16804 2.11126 1.90709 -75.17773 514.64799
7280.0000 -77.25247 -74.68503 2.56744 1.90978 -75.15061 538.54815
7285.0000 -77.37823 -74.85791 2.52033 1.91688 -75.07910 541.55625
7290.0000 -77.36516 -75.28111 2.08406 1.89326 -75.31716 495.74351
7295.0000 -77.32082 -75.65013 1.67069 1.88110 -75.43967 454.80839
7300.0000 -77.79694 -75.95445 1.84249 1.84659 -75.78754 441.89931
7305.0000 -77.61453 -75.15180 2.46273 1.84420 -75.81159 444.90920
7310.0000 -77.72437 -75.18188 2.54249 1.91195 -75.12876 528.64231
7315.0000 -77.09654 -75.18719 1.90935 1.90925 -75.15592 512.08762
7320.0000 -78.37003 -76.51523 1.85480 1.88939 -75.35617 486.10206
7325.0000 -77.67977 -75.93450 1.74527 1.81449 -76.11113 445.54269
7330.0000 -77.69386 -75.60016 2.09370 1.84626 -75.79084 442.83473
7335.0000 -77.54658 -75.58416 1.96242 1.85899 -75.66259 448.79546
7340.0000 -77.68623 -75.60022 2.08601 1.85419 -75.71096 492.12678
7345.0000 -77.45302 -75.57304 1.87998 1.86355 -75.61656 464.53389
7350.0000 -77.31858 -75.57873 1.73985 1.88522 -75.39820 515.91518
7355.0000 -77.30666 -75.56859 1.73807 1.83882 -75.86581 464.02653
7360.0000 -76.94778 -74.49617 2.45161 1.90537 -75.19509 522.85289
7365.0000 -77.38447 -75.23413 2.15033 1.92531 -74.99414 520.91049
7370.0000 -77.03696 -74.53572 2.50124 1.94597 -74.78586 554.77505
7375.0000 -76.71872 -74.15692 2.56180 1.98294 -74.41318 578.36153
7380.0000 -77.39158 -75.09027 2.30131 1.95349 -74.71006 552.91363
7385.0000 -76.79824 -74.37145 2.42679 1.93778 -74.86842 539.58634
7390.0000 -77.55952 -75.56752 1.99199 1.95130 -74.73212 545.26684
7395.0000 -77.79788 -75.75149 2.04639 1.85202 -75.73285 474.12796
7400.0000 -77.36475 -75.72145 1.64330 1.83909 -75.86311 422.36075
7405.0000 -78.00646 -75.94643 2.06003 1.85365 -75.71635 461.48065
7410.0000 -77.61510 -75.45984 2.15526 1.83571 -75.89718 452.05057
7415.0000 -77.12205 -75.20974 1.91231 1.84912 -75.76204 452.77486
7420.0000 -77.49457 -75.30504 2.18953 1.91488 -75.09926 500.23797
7425.0000 -77.27669 -75.11759 2.15909 1.90393 -75.20956 509.33863
7430.0000 -77.55551 -75.28658 2.26894 1.90754 -75.17324 528.33810
7435.0000 -77.17627 -75.49974 1.67653 1.86491 -75.60289 463.02866
7440.0000 -77.26084 -75.36894 1.89190 1.84816 -75.77175 454.84834
7445.0000 -76.87695 -75.57410 1.30286 1.86438 -75.60819 470.46055
7450.0000 -77.53075 -75.23186 2.29889 1.89586 -75.29089 509.84919
7455.0000 -77.46134 -75.41569 2.04565 1.87388 -75.51243 490.05155
7460.0000 -77.12546 -75.33578 1.78969 1.89099 -75.34000 506.90251
7465.0000 -77.47388 -75.45843 2.01545 1.86929 -75.55870 474.08805
7470.0000 -76.44002 -74.43374 2.00628 1.93237 -74.92297 543.86767
7475.0000 -77.04692 -75.00595 2.04098 1.91156 -75.13270 531.97581
7480.0000 -77.90009 -76.25434 1.64575 1.86653 -75.58659 483.30670
7485.0000 -77.94463 -76.10122 1.84341 1.81886 -76.06704 425.28346
7490.0000 -77.71504 -75.98045 1.73460 1.82048 -76.05073 433.09393
7495.0000 -77.98942 -76.21123 1.77819 1.81796 -76.07609 427.37959
7500.0000 -76.43671 -74.72505 1.71166 1.89887 -75.26062 479.99207
FREEZING PROCESS: loop number 31 T-loop= 457.00000000000000
main_MD> interactions number 31 at Temperature= 457.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23491 -0.49478 0.89081
force_rgl> df(natom) 3.94711 -2.23467 1.17007
7505.0000 -77.12612 -75.54124 1.58488 1.87511 -75.50003 467.40529
7510.0000 -77.94635 -75.71853 2.22782 1.87962 -75.45458 480.68544
7515.0000 -77.78871 -76.01596 1.77275 1.84703 -75.78312 475.28045
7520.0000 -77.83021 -75.95405 1.87616 1.84739 -75.77943 430.81052
7525.0000 -77.10925 -75.47339 1.63586 1.88606 -75.38974 461.04876
7530.0000 -77.20596 -75.44654 1.75942 1.90223 -75.22677 490.25574
7535.0000 -77.91320 -76.00281 1.91039 1.87561 -75.49508 482.48795
7540.0000 -77.74430 -75.77966 1.96464 1.82310 -76.02431 416.69634
7545.0000 -77.37342 -75.44948 1.92394 1.83859 -75.86818 446.41657
7550.0000 -77.64012 -75.98514 1.65497 1.82668 -75.98821 425.94302
7555.0000 -77.88714 -75.91637 1.97077 1.83975 -75.85652 448.72330
7560.0000 -78.11092 -75.71478 2.39615 1.82675 -75.98752 417.69385
7565.0000 -78.47539 -76.40728 2.06811 1.84186 -75.83523 449.71456
7570.0000 -78.15075 -76.50726 1.64349 1.77832 -76.47565 383.47460
7575.0000 -77.71550 -76.03314 1.68236 1.81910 -76.06458 413.11334
7580.0000 -77.58010 -75.81880 1.76130 1.84003 -75.85371 432.29327
7585.0000 -77.50782 -75.77438 1.73344 1.84622 -75.79126 445.98196
7590.0000 -77.60779 -75.50672 2.10107 1.86299 -75.62225 464.88876
7595.0000 -77.82018 -75.78012 2.04006 1.86378 -75.61432 463.43377
7600.0000 -77.71739 -75.79274 1.92465 1.86397 -75.61237 458.20161
7605.0000 -78.25067 -76.03098 2.21968 1.82096 -76.04583 418.67342
7610.0000 -77.82702 -75.96735 1.85967 1.84574 -75.79612 456.65540
7615.0000 -78.02754 -75.95452 2.07302 1.82411 -76.01413 447.38410
7620.0000 -78.15681 -76.46603 1.69079 1.79228 -76.33491 403.36849
7625.0000 -78.10826 -76.50448 1.60378 1.79086 -76.34931 395.27484
7630.0000 -77.22926 -75.52993 1.69934 1.81397 -76.11629 431.97801
7635.0000 -77.45295 -75.39943 2.05352 1.86886 -75.56309 467.66521
7640.0000 -77.57899 -74.96635 2.61264 1.93062 -74.94056 553.42544
7645.0000 -77.75636 -76.09090 1.66546 1.90074 -75.24178 515.69095
7650.0000 -77.66301 -76.12545 1.53756 1.80143 -76.24273 406.42040
7655.0000 -77.20462 -75.68427 1.52035 1.86339 -75.61816 453.40923
7660.0000 -77.86276 -75.76257 2.10019 1.84399 -75.81378 457.87956
7665.0000 -77.61483 -76.08817 1.52666 1.82752 -75.97973 450.04951
7670.0000 -78.01760 -76.76025 1.25735 1.80484 -76.20837 413.07731
7675.0000 -77.69114 -75.63437 2.05677 1.81611 -76.09479 428.68837
7680.0000 -77.46648 -75.55964 1.90684 1.85733 -75.67933 472.56598
7685.0000 -77.93448 -76.09038 1.84410 1.88723 -75.37792 515.50022
7690.0000 -77.57411 -75.90223 1.67188 1.81989 -76.05669 432.99837
7695.0000 -77.86329 -75.57285 2.29044 1.85590 -75.69373 464.26440
7700.0000 -77.66895 -75.37668 2.29228 1.88198 -75.43080 502.91127
7705.0000 -77.44435 -75.98585 1.45850 1.86759 -75.57589 485.12946
7710.0000 -77.95341 -76.20604 1.74737 1.81991 -76.05645 432.47970
7715.0000 -77.54121 -75.15139 2.38982 1.85651 -75.68757 474.44452
7720.0000 -77.16370 -75.40189 1.76181 1.91572 -75.09072 506.90103
7725.0000 -77.53027 -75.25465 2.27562 1.91325 -75.11565 530.97489
7730.0000 -77.32677 -75.85052 1.47625 1.90165 -75.23261 515.97225
7735.0000 -77.60572 -75.68573 1.91999 1.85860 -75.66650 465.97623
7740.0000 -77.98512 -76.44961 1.53551 1.87042 -75.54738 492.67681
7745.0000 -77.31963 -75.50999 1.80964 1.84260 -75.82772 466.88824
7750.0000 -77.68376 -75.96199 1.72177 1.84225 -75.83129 454.89493
FREEZING PROCESS: loop number 32 T-loop= 432.00000000000000
main_MD> interactions number 32 at Temperature= 432.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.41167 -3.14695 -0.64468
force_rgl> df(natom) -0.25121 1.11561 -0.84476
7755.0000 -77.97561 -76.55932 1.41629 1.80811 -76.17541 426.18820
7760.0000 -78.16659 -76.36636 1.80023 1.77280 -76.53132 383.13105
7765.0000 -77.76769 -76.08453 1.68316 1.82207 -76.03466 430.06099
7770.0000 -77.63506 -75.80667 1.82839 1.82738 -75.98115 428.04019
7775.0000 -77.82745 -75.77723 2.05021 1.83621 -75.89219 434.40994
7780.0000 -77.79712 -76.32952 1.46761 1.82638 -75.99120 432.98101
7785.0000 -77.74387 -76.14998 1.59388 1.80332 -76.22364 404.56213
7790.0000 -77.49021 -75.92365 1.56657 1.80371 -76.21979 398.86062
7795.0000 -78.22154 -76.62038 1.60115 1.81691 -76.08674 408.90476
7800.0000 -78.07569 -76.38317 1.69251 1.77752 -76.48372 380.64632
7805.0000 -78.33895 -76.58797 1.75098 1.77416 -76.51759 381.96385
7810.0000 -77.99796 -76.52061 1.47734 1.76999 -76.55966 390.99079
7815.0000 -77.76343 -75.81467 1.94877 1.80493 -76.20743 429.97409
7820.0000 -77.70883 -75.62773 2.08110 1.84324 -75.82135 456.24447
7825.0000 -77.22381 -75.23237 1.99144 1.86171 -75.63510 474.87312
7830.0000 -77.82918 -76.07668 1.75249 1.82382 -76.01704 416.46706
7835.0000 -77.71399 -75.62202 2.09197 1.85846 -75.66793 445.77394
7840.0000 -77.76432 -75.10168 2.66264 1.88745 -75.37568 509.00749
7845.0000 -77.29091 -75.83241 1.45850 1.88407 -75.40973 491.30184
7850.0000 -78.39605 -76.32117 2.07488 1.80049 -76.25224 406.62544
7855.0000 -78.20522 -76.15856 2.04666 1.78014 -76.45736 392.10635
7860.0000 -77.76946 -75.83484 1.93462 1.80488 -76.20800 428.14760
7865.0000 -77.85781 -75.58946 2.26835 1.82947 -75.96014 466.60599
7870.0000 -78.50097 -75.95291 2.54806 1.86679 -75.58391 500.04028
7875.0000 -77.95660 -76.02294 1.93366 1.82378 -76.01744 451.12562
7880.0000 -78.20411 -75.98745 2.21666 1.82500 -76.00519 448.63198
7885.0000 -77.49604 -75.85662 1.63942 1.85745 -75.67813 469.24891
7890.0000 -77.97020 -76.24355 1.72665 1.83391 -75.91534 432.70179
7895.0000 -77.74919 -75.73251 2.01668 1.81514 -76.10454 419.08792
7900.0000 -77.51006 -75.43382 2.07623 1.87653 -75.48581 485.86795
7905.0000 -77.72850 -76.14722 1.58129 1.82382 -76.01706 435.63023
7910.0000 -78.22386 -76.49020 1.73366 1.78560 -76.40231 394.78321
7915.0000 -77.72592 -75.78487 1.94104 1.82209 -76.03443 429.91254
7920.0000 -77.93284 -75.75662 2.17622 1.85778 -75.67477 460.95769
7925.0000 -77.63959 -75.89785 1.74174 1.85213 -75.73168 444.00529
7930.0000 -78.27804 -76.39410 1.88395 1.80969 -76.15950 417.91413
7935.0000 -77.95717 -76.37966 1.57750 1.76440 -76.61592 356.18376
7940.0000 -77.81807 -76.28156 1.53652 1.81148 -76.14147 390.22573
7945.0000 -77.39058 -75.86462 1.52595 1.80658 -76.19081 385.65692
7950.0000 -77.69651 -75.85203 1.84448 1.82259 -76.02949 432.21254
7955.0000 -77.57039 -75.54713 2.02326 1.87321 -75.51920 483.26124
7960.0000 -77.93085 -75.69006 2.24079 1.85969 -75.65551 465.34660
7965.0000 -77.61664 -75.64070 1.97594 1.87470 -75.50426 471.70323
7970.0000 -77.66417 -75.84732 1.81685 1.86595 -75.59242 467.45641
7975.0000 -77.62616 -75.91625 1.70991 1.82540 -76.00111 424.76414
7980.0000 -77.66549 -75.63559 2.02990 1.84683 -75.78508 445.75210
7985.0000 -77.48165 -75.98357 1.49808 1.81810 -76.07474 410.56489
7990.0000 -78.29647 -76.56896 1.72751 1.80058 -76.25129 426.83776
7995.0000 -78.15940 -76.69555 1.46385 1.77097 -76.54976 399.26713
8000.0000 -78.32250 -76.88817 1.43433 1.71498 -77.11404 309.33295
FREEZING PROCESS: loop number 33 T-loop= 407.00000000000000
main_MD> interactions number 33 at Temperature= 407.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96805 -0.35386 -0.23349
force_rgl> df(natom) -0.68642 1.85021 0.29232
8005.0000 -77.95230 -76.52854 1.42376 1.78126 -76.44605 393.75360
8010.0000 -78.20256 -76.53005 1.67251 1.77337 -76.52550 381.54270
8015.0000 -78.23954 -76.74499 1.49455 1.75423 -76.71844 365.03460
8020.0000 -78.39890 -76.61093 1.78797 1.75079 -76.75319 367.12407
8025.0000 -78.40188 -76.76648 1.63540 1.76740 -76.58574 393.95075
8030.0000 -78.14682 -76.27160 1.87522 1.75924 -76.66794 371.15485
8035.0000 -77.77208 -75.90649 1.86559 1.83789 -75.87518 465.72285
8040.0000 -77.57923 -75.84250 1.73673 1.82013 -76.05419 422.32049
8045.0000 -77.69847 -75.79711 1.90136 1.83356 -75.91883 443.37610
8050.0000 -78.11941 -76.81199 1.30742 1.80076 -76.24946 398.45195
8055.0000 -77.81926 -76.29018 1.52908 1.77156 -76.54380 392.04992
8060.0000 -78.19093 -76.27428 1.91665 1.79167 -76.34109 418.73782
8065.0000 -77.71411 -76.20206 1.51206 1.80474 -76.20939 409.75590
8070.0000 -78.36429 -76.21891 2.14539 1.80316 -76.22532 401.23328
8075.0000 -77.75627 -76.19628 1.55998 1.81769 -76.07879 433.41506
8080.0000 -78.41051 -76.71704 1.69347 1.81263 -76.12984 428.26553
8085.0000 -78.27118 -76.64781 1.62337 1.76523 -76.60765 402.44132
8090.0000 -77.80447 -76.18466 1.61981 1.79302 -76.32753 419.95923
8095.0000 -78.30946 -76.50723 1.80222 1.81012 -76.15513 413.67963
8100.0000 -78.04507 -76.24939 1.79568 1.80557 -76.20100 395.54269
8105.0000 -77.87713 -76.33190 1.54523 1.79020 -76.35592 376.19640
8110.0000 -78.14740 -76.68043 1.46697 1.79383 -76.31930 384.78015
8115.0000 -78.17378 -76.45158 1.72220 1.78974 -76.36057 381.46232
8120.0000 -78.12715 -76.28922 1.83794 1.79966 -76.26060 392.99369
8125.0000 -77.71160 -76.03271 1.67889 1.81592 -76.09669 416.84701
8130.0000 -78.01261 -76.09511 1.91750 1.81740 -76.08177 423.68420
8135.0000 -77.70255 -75.72356 1.97898 1.82415 -76.01376 443.77540
8140.0000 -77.94874 -75.84992 2.09881 1.83828 -75.87133 454.67417
8145.0000 -77.91291 -76.50652 1.40639 1.79919 -76.26534 411.78355
8150.0000 -77.79121 -76.26600 1.52521 1.76405 -76.61953 355.91368
8155.0000 -77.63484 -76.16764 1.46720 1.79509 -76.30661 377.59962
8160.0000 -77.98795 -76.37423 1.61373 1.79444 -76.31320 389.16223
8165.0000 -77.90541 -76.01898 1.88644 1.80709 -76.18566 416.15183
8170.0000 -77.93250 -76.12771 1.80479 1.82166 -76.03885 436.31127
8175.0000 -77.83630 -76.46635 1.36994 1.80642 -76.19247 402.97671
8180.0000 -77.89142 -76.22878 1.66264 1.80073 -76.24977 405.10231
8185.0000 -77.93035 -76.07855 1.85179 1.80914 -76.16501 416.25289
8190.0000 -78.21294 -76.14695 2.06599 1.81512 -76.10474 443.54729
8195.0000 -77.96013 -76.05413 1.90600 1.81708 -76.08500 436.04692
8200.0000 -78.22984 -76.14459 2.08525 1.81866 -76.06909 442.25114
8205.0000 -77.68075 -75.72853 1.95222 1.81072 -76.14904 426.45299
8210.0000 -77.72862 -75.98640 1.74222 1.82441 -76.01113 440.89432
8215.0000 -78.15222 -76.50985 1.64237 1.78327 -76.42580 378.51780
8220.0000 -77.78399 -76.46221 1.32178 1.78496 -76.40872 391.14479
8225.0000 -77.79250 -76.27402 1.51848 1.80946 -76.16180 425.94346
8230.0000 -78.30860 -76.82459 1.48401 1.78557 -76.40262 390.67561
8235.0000 -78.15592 -76.56570 1.59023 1.76306 -76.62949 371.38909
8240.0000 -78.08808 -76.84324 1.24484 1.75753 -76.68520 361.49703
8245.0000 -78.06440 -76.39273 1.67167 1.78732 -76.38496 389.66772
8250.0000 -78.09598 -76.62813 1.46785 1.78333 -76.42515 372.73999
FREEZING PROCESS: loop number 34 T-loop= 382.00000000000000
main_MD> interactions number 34 at Temperature= 382.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02251 -0.95516 1.62184
force_rgl> df(natom) 0.72079 0.99466 0.49325
8255.0000 -77.90409 -76.34606 1.55803 1.76586 -76.60122 351.70677
8260.0000 -77.71854 -76.44927 1.26927 1.77703 -76.48865 360.63151
8265.0000 -78.19099 -76.70072 1.49026 1.76633 -76.59652 364.99513
8270.0000 -78.50417 -77.26958 1.23459 1.72851 -76.97769 326.50644
8275.0000 -78.29418 -76.83679 1.45740 1.74433 -76.81821 359.82749
8280.0000 -78.50463 -76.86322 1.64140 1.76714 -76.58836 383.62173
8285.0000 -78.04923 -76.25646 1.79277 1.77608 -76.49821 394.26358
8290.0000 -78.23816 -76.34159 1.89657 1.78513 -76.40699 402.23166
8295.0000 -78.38462 -76.60270 1.78192 1.75801 -76.68037 379.72562
8300.0000 -78.32467 -76.67312 1.65156 1.77344 -76.52485 403.85124
8305.0000 -78.07558 -76.75357 1.32201 1.74886 -76.77261 374.71733
8310.0000 -78.49696 -76.92890 1.56805 1.73849 -76.87710 368.00607
8315.0000 -78.18917 -76.62369 1.56548 1.74182 -76.84359 358.38651
8320.0000 -78.51750 -76.96087 1.55663 1.75735 -76.68701 383.55092
8325.0000 -77.85039 -76.41908 1.43131 1.78524 -76.40589 407.32367
8330.0000 -77.31923 -75.63402 1.68521 1.80905 -76.16594 417.60760
8335.0000 -77.87845 -76.19376 1.68469 1.81456 -76.11035 401.08482
8340.0000 -78.52619 -76.91351 1.61268 1.78692 -76.38902 384.13543
8345.0000 -78.36342 -76.60424 1.75918 1.77424 -76.51677 381.02224
8350.0000 -78.20221 -76.60166 1.60055 1.75649 -76.69568 374.72535
8355.0000 -78.01585 -76.43144 1.58441 1.74177 -76.84410 345.42372
8360.0000 -78.48479 -77.14433 1.34046 1.76624 -76.59737 365.15741
8365.0000 -78.60313 -77.14659 1.45654 1.71790 -77.08468 325.26502
8370.0000 -78.36891 -76.59152 1.77738 1.73957 -76.86628 350.98725
8375.0000 -78.42294 -76.76854 1.65440 1.77273 -76.53200 391.64663
8380.0000 -78.03716 -76.59850 1.43866 1.75930 -76.66734 358.04203
8385.0000 -78.28570 -76.54599 1.73970 1.75426 -76.71818 362.86410
8390.0000 -78.37393 -76.56090 1.81303 1.76536 -76.60625 376.83879
8395.0000 -78.16740 -76.56572 1.60167 1.77202 -76.53913 391.67122
8400.0000 -78.27167 -76.10009 2.17158 1.79600 -76.29747 398.70905
8405.0000 -78.26495 -76.39246 1.87249 1.80275 -76.22946 409.60923
8410.0000 -77.97344 -76.62750 1.34594 1.77356 -76.52363 391.65226
8415.0000 -78.17833 -76.83811 1.34022 1.74160 -76.84579 349.55700
8420.0000 -78.10377 -76.54696 1.55681 1.74977 -76.76339 363.88481
8425.0000 -77.96269 -76.15509 1.80760 1.78650 -76.39325 404.87255
8430.0000 -78.16827 -76.52065 1.64762 1.81924 -76.06318 451.89808
8435.0000 -78.20200 -76.42646 1.77554 1.76669 -76.59285 388.84646
8440.0000 -78.24766 -76.25042 1.99724 1.78803 -76.37781 424.13745
8445.0000 -78.52660 -76.75263 1.77397 1.76416 -76.61835 397.72916
8450.0000 -77.96044 -76.74371 1.21674 1.74202 -76.84153 365.19955
8455.0000 -78.28599 -76.42653 1.85946 1.75003 -76.76075 374.58247
8460.0000 -78.42817 -76.67934 1.74883 1.75617 -76.69888 371.69365
8465.0000 -77.99604 -76.58113 1.41491 1.74131 -76.84865 362.95512
8470.0000 -78.04914 -76.53915 1.50999 1.77194 -76.53999 386.01869
8475.0000 -77.90280 -76.32472 1.57808 1.77345 -76.52471 378.47643
8480.0000 -77.81003 -76.34204 1.46799 1.78590 -76.39930 376.84660
8485.0000 -77.74295 -75.60958 2.13337 1.81333 -76.12276 414.10340
8490.0000 -77.77203 -75.98425 1.78778 1.83372 -75.91727 429.38998
8495.0000 -78.31811 -76.64071 1.67740 1.82928 -75.96200 407.38313
8500.0000 -77.94450 -76.05532 1.88918 1.77665 -76.49245 386.83134
FREEZING PROCESS: loop number 35 T-loop= 357.00000000000000
main_MD> interactions number 35 at Temperature= 357.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18881 -0.65395 1.07958
force_rgl> df(natom) 1.58861 0.56938 1.06175
8505.0000 -77.90669 -76.49210 1.41459 1.78555 -76.40279 391.82191
8510.0000 -78.18113 -76.76579 1.41535 1.76887 -76.57089 378.04657
8515.0000 -78.24841 -76.93018 1.31823 1.74303 -76.83141 346.15694
8520.0000 -78.53243 -77.00064 1.53180 1.73455 -76.91684 341.82861
8525.0000 -77.78061 -76.06076 1.71985 1.76764 -76.58331 367.15233
8530.0000 -78.52468 -76.86409 1.66058 1.75821 -76.67836 374.03554
8535.0000 -78.44909 -77.04016 1.40892 1.73290 -76.93349 349.00274
8540.0000 -77.97126 -76.49602 1.47525 1.73685 -76.89364 349.50096
8545.0000 -78.26512 -76.74546 1.51966 1.75212 -76.73978 368.83403
8550.0000 -77.91224 -76.38371 1.52853 1.76730 -76.58673 367.17348
8555.0000 -78.29676 -76.79692 1.49984 1.75807 -76.67979 361.04906
8560.0000 -78.09143 -76.31282 1.77861 1.77208 -76.53853 387.92839
8565.0000 -78.01067 -76.21354 1.79713 1.79076 -76.35029 401.66233
8570.0000 -77.87664 -76.46092 1.41572 1.80257 -76.23125 416.41674
8575.0000 -77.84680 -76.21347 1.63333 1.80122 -76.24482 424.55079
8580.0000 -78.09750 -76.80205 1.29545 1.76723 -76.58741 366.76678
8585.0000 -78.23442 -76.87737 1.35705 1.74954 -76.76571 334.57548
8590.0000 -78.25105 -76.81621 1.43484 1.74495 -76.81197 335.62107
8595.0000 -78.39823 -76.93357 1.46466 1.75758 -76.68466 351.50772
8600.0000 -78.16583 -76.78140 1.38443 1.72394 -77.02379 318.28399
8605.0000 -78.53900 -77.01698 1.52201 1.71504 -77.11352 300.53744
8610.0000 -78.14015 -76.21834 1.92181 1.76778 -76.58191 373.19217
8615.0000 -78.30811 -76.89473 1.41338 1.75420 -76.71876 356.35529
8620.0000 -78.19844 -76.66381 1.53464 1.75388 -76.72203 356.42472
8625.0000 -78.47538 -76.96934 1.50604 1.73972 -76.86474 361.80548
8630.0000 -78.10284 -76.55468 1.54816 1.74943 -76.76681 365.55215
8635.0000 -78.33730 -76.73132 1.60597 1.76894 -76.57024 385.76018
8640.0000 -78.52148 -77.41053 1.11095 1.73061 -76.95656 338.61094
8645.0000 -78.48923 -76.88623 1.60300 1.71312 -77.13282 313.73256
8650.0000 -78.13989 -76.58877 1.55112 1.74370 -76.82457 358.64008
8655.0000 -78.44579 -77.26396 1.18182 1.73330 -76.92942 339.31395
8660.0000 -78.53625 -77.41037 1.12588 1.70449 -77.21986 315.78864
8665.0000 -78.47070 -76.95521 1.51549 1.70079 -77.25713 309.19786
8670.0000 -78.51356 -77.06373 1.44983 1.71370 -77.12700 317.71234
8675.0000 -78.45957 -77.34201 1.11757 1.70221 -77.24276 307.19521
8680.0000 -78.53445 -77.34483 1.18961 1.70387 -77.22611 310.24971
8685.0000 -78.41650 -76.77569 1.64081 1.71292 -77.13482 321.24144
8690.0000 -78.03884 -76.63728 1.40155 1.74749 -76.78645 360.97746
8695.0000 -78.42552 -76.83913 1.58639 1.75818 -76.67864 357.33689
8700.0000 -78.32613 -76.79391 1.53222 1.74710 -76.79035 347.06254
8705.0000 -78.42873 -76.83492 1.59381 1.71906 -77.07300 328.56071
8710.0000 -78.50781 -77.08068 1.42713 1.75654 -76.69524 373.45900
8715.0000 -78.32695 -76.98383 1.34312 1.72538 -77.00928 335.82697
8720.0000 -78.19763 -76.87928 1.31835 1.73559 -76.90630 351.63928
8725.0000 -78.35245 -76.85493 1.49752 1.72688 -76.99410 335.08868
8730.0000 -78.09924 -76.71632 1.38292 1.73359 -76.92648 351.48893
8735.0000 -78.18427 -76.74745 1.43682 1.72776 -76.98523 333.05375
8740.0000 -78.41602 -77.20759 1.20843 1.74919 -76.76932 368.74928
8745.0000 -78.45749 -77.16523 1.29225 1.70253 -77.23957 304.70755
8750.0000 -78.41065 -76.94834 1.46231 1.72738 -76.98915 333.69179
FREEZING PROCESS: loop number 36 T-loop= 332.00000000000000
main_MD> interactions number 36 at Temperature= 332.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.35427 -2.02493 -0.09883
force_rgl> df(natom) -0.62165 0.14378 1.85279
8755.0000 -78.32649 -77.09357 1.23292 1.71934 -77.07011 316.92169
8760.0000 -78.52770 -76.96837 1.55933 1.72484 -77.01470 329.85961
8765.0000 -78.41729 -76.96716 1.45014 1.71349 -77.12915 331.74798
8770.0000 -78.69638 -77.03198 1.66440 1.70869 -77.17753 323.07886
8775.0000 -78.29935 -76.91098 1.38837 1.72970 -76.96569 331.35306
8780.0000 -78.37614 -77.12868 1.24747 1.73309 -76.93152 347.29525
8785.0000 -78.21010 -76.90453 1.30557 1.72227 -77.04065 333.23932
8790.0000 -78.31651 -76.70287 1.61364 1.73590 -76.90327 346.65504
8795.0000 -78.69246 -77.39714 1.29532 1.73218 -76.94068 345.06147
8800.0000 -78.17100 -76.96128 1.20972 1.70467 -77.21798 308.11498
8805.0000 -78.57806 -77.49247 1.08560 1.70627 -77.20189 301.17433
8810.0000 -78.48868 -77.16114 1.32754 1.68422 -77.42415 284.59067
8815.0000 -78.51101 -77.23090 1.28011 1.72092 -77.05422 325.78752
8820.0000 -78.55538 -77.29692 1.25846 1.69163 -77.34946 302.41225
8825.0000 -78.52156 -76.89698 1.62458 1.75433 -76.71741 365.23103
8830.0000 -78.79406 -77.63947 1.15459 1.69734 -77.29191 299.56517
8835.0000 -78.41343 -77.55657 0.85686 1.66841 -77.58346 271.65356
8840.0000 -78.67793 -77.47630 1.20163 1.69633 -77.30208 305.76921
8845.0000 -78.78117 -77.74995 1.03122 1.67716 -77.49533 285.67990
8850.0000 -78.77421 -77.44698 1.32724 1.67668 -77.50009 275.44303
8855.0000 -78.35079 -76.80569 1.54510 1.71354 -77.12863 314.66608
8860.0000 -78.47601 -77.21597 1.26004 1.72748 -76.98811 333.67010
8865.0000 -78.32723 -77.22849 1.09874 1.71361 -77.12786 314.98778
8870.0000 -78.43647 -76.98765 1.44883 1.72734 -76.98951 336.27972
8875.0000 -78.24845 -76.93615 1.31230 1.70186 -77.24628 301.74484
8880.0000 -78.12241 -76.28670 1.83571 1.76922 -76.56743 375.82406
8885.0000 -78.01363 -76.50718 1.50645 1.77930 -76.46576 381.80449
8890.0000 -77.80322 -76.27602 1.52720 1.79401 -76.31748 409.76827
8895.0000 -78.04512 -76.30961 1.73551 1.78839 -76.37413 405.91211
8900.0000 -78.45840 -77.05481 1.40359 1.77593 -76.49974 372.71275
8905.0000 -78.37533 -76.91346 1.46187 1.73458 -76.91657 332.08319
8910.0000 -78.44329 -76.90581 1.53748 1.73235 -76.93902 332.00261
8915.0000 -78.59707 -77.21010 1.38697 1.71672 -77.09657 328.55309
8920.0000 -78.36552 -77.36292 1.00260 1.69077 -77.35811 303.71490
8925.0000 -78.23312 -77.01428 1.21884 1.71393 -77.12471 323.25060
8930.0000 -78.29193 -76.97768 1.31425 1.71960 -77.06750 326.02581
8935.0000 -78.42088 -77.06266 1.35822 1.73253 -76.93716 344.96523
8940.0000 -78.29266 -76.83095 1.46172 1.73116 -76.95099 348.09037
8945.0000 -78.25088 -76.73434 1.51654 1.76406 -76.61934 375.35048
8950.0000 -78.52757 -77.03044 1.49713 1.69720 -77.29328 309.17724
8955.0000 -78.08888 -76.69143 1.39745 1.72037 -77.05971 335.17707
8960.0000 -78.59317 -77.03291 1.56026 1.73166 -76.94597 342.78535
8965.0000 -77.99304 -76.41237 1.58067 1.73030 -76.95971 344.85046
8970.0000 -78.53178 -76.98611 1.54567 1.74574 -76.80406 365.78909
8975.0000 -78.42252 -77.14466 1.27786 1.72952 -76.96753 346.11238
8980.0000 -78.66201 -77.46444 1.19756 1.69826 -77.28257 298.18422
8985.0000 -78.90392 -77.13358 1.77034 1.71291 -77.13492 323.83737
8990.0000 -78.25073 -76.60066 1.65007 1.72025 -77.06094 340.31873
8995.0000 -78.13837 -76.67711 1.46126 1.74858 -76.77537 364.99305
9000.0000 -78.65763 -77.28740 1.37023 1.72385 -77.02465 329.54352
FREEZING PROCESS: loop number 37 T-loop= 307.00000000000000
main_MD> interactions number 37 at Temperature= 307.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04657 0.81795 -0.17253
force_rgl> df(natom) 1.74750 2.06990 -0.40225
9005.0000 -78.64482 -77.54900 1.09582 1.69316 -77.33402 293.78765
9010.0000 -78.52315 -77.48588 1.03727 1.67709 -77.49595 274.63290
9015.0000 -78.34701 -77.43862 0.90839 1.68015 -77.46517 272.15279
9020.0000 -78.66041 -77.52479 1.13562 1.69377 -77.32789 277.91036
9025.0000 -78.56961 -77.40841 1.16120 1.69123 -77.35343 286.76659
9030.0000 -78.43761 -77.05044 1.38717 1.70029 -77.26218 302.31149
9035.0000 -78.36468 -77.10565 1.25903 1.70615 -77.20311 311.07108
9040.0000 -78.63703 -77.31091 1.32612 1.70024 -77.26261 310.77832
9045.0000 -78.64720 -77.72104 0.92616 1.68754 -77.39068 293.44168
9050.0000 -79.10554 -77.76136 1.34418 1.65934 -77.67492 261.31154
9055.0000 -78.52565 -77.40651 1.11913 1.68847 -77.38131 301.51822
9060.0000 -78.46803 -77.22591 1.24211 1.68920 -77.37393 286.92650
9065.0000 -78.34121 -77.40388 0.93733 1.69390 -77.32655 291.66120
9070.0000 -78.27327 -77.09917 1.17410 1.70748 -77.18970 299.07124
9075.0000 -78.39480 -77.24010 1.15470 1.71075 -77.15671 297.44137
9080.0000 -78.33056 -77.14868 1.18188 1.69719 -77.29344 285.00146
9085.0000 -78.47085 -77.35717 1.11367 1.70500 -77.21472 296.55465
9090.0000 -78.74452 -77.61800 1.12652 1.67511 -77.51595 261.04887
9095.0000 -78.50379 -77.21024 1.29355 1.69311 -77.33455 294.63447
9100.0000 -77.91931 -76.60476 1.31455 1.71249 -77.13914 309.58925
9105.0000 -78.22527 -77.02831 1.19696 1.74505 -76.81103 348.41774
9110.0000 -78.47106 -77.17254 1.29851 1.71158 -77.14840 317.23503
9115.0000 -78.57447 -77.16537 1.40910 1.70967 -77.16757 316.57195
9120.0000 -78.52542 -77.38422 1.14120 1.73507 -76.91154 354.51640
9125.0000 -78.23025 -76.90343 1.32683 1.73726 -76.88956 350.14875
9130.0000 -78.62457 -77.14204 1.48253 1.70827 -77.18176 314.07403
9135.0000 -78.65870 -77.43215 1.22654 1.67794 -77.48746 279.99821
9140.0000 -78.43279 -76.88192 1.55087 1.70390 -77.22577 305.02919
9145.0000 -78.48151 -77.14672 1.33479 1.72537 -77.00934 343.83163
9150.0000 -78.70950 -77.73542 0.97409 1.68361 -77.43029 298.01844
9155.0000 -78.69422 -77.15800 1.53622 1.67934 -77.47334 292.24724
9160.0000 -78.68370 -77.07064 1.61306 1.70626 -77.20195 317.31118
9165.0000 -78.52463 -76.74448 1.78015 1.75183 -76.74265 368.91501
9170.0000 -78.44384 -77.08408 1.35976 1.74646 -76.79676 369.75437
9175.0000 -78.46867 -77.22543 1.24324 1.72354 -77.02783 335.83400
9180.0000 -78.53570 -77.22895 1.30675 1.71349 -77.12915 323.53769
9185.0000 -78.58389 -76.97948 1.60441 1.71683 -77.09541 318.61452
9190.0000 -78.73636 -77.40382 1.33255 1.70367 -77.22804 317.88431
9195.0000 -78.72396 -77.69455 1.02940 1.67275 -77.53977 280.98382
9200.0000 -78.54839 -77.45145 1.09694 1.66589 -77.60884 277.53763
9205.0000 -78.30393 -76.88053 1.42341 1.71668 -77.09696 332.70470
9210.0000 -78.25125 -76.99151 1.25974 1.72266 -77.03671 323.27185
9215.0000 -78.63748 -77.50161 1.13587 1.69709 -77.29443 298.39698
9220.0000 -78.31450 -77.26855 1.04595 1.69820 -77.28321 300.89149
9225.0000 -78.42403 -77.16786 1.25617 1.71058 -77.15840 311.59016
9230.0000 -78.53999 -77.40760 1.13239 1.71524 -77.11148 310.82988
9235.0000 -78.49135 -77.31015 1.18121 1.69504 -77.31505 289.90604
9240.0000 -78.36839 -76.97638 1.39201 1.72197 -77.04363 330.46938
9245.0000 -78.12514 -76.56202 1.56312 1.74055 -76.85631 344.61359
9250.0000 -78.48152 -77.02638 1.45514 1.73683 -76.89387 340.20074
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 9.7683388 [s].
main_MD> Deallocating global variables
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