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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_31/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_31.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 = 31 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 31 3100
main_MD> Size of nv and nvoiz: 31 3100
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 = 31
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.7594715638850135E-002 -0.15692738511420259 -0.14627581754675661 initial drift of cluster / NP1 for coalescence
init> 0.33975734570274285 0.36317180558980972 0.33428521756291341 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7377816122361957E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11837 -2.90655 -2.21763
force_rgl> df(natom) -2.71501 -0.21240 -1.83259
preparo> THERMALIZATION PROCESS AT 1216.1844972385707
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -61.030663312579009 8.5994354382823150 -69.630098750861322 6.8126083187969560E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
FREEZING PROCESS: loop number 1 T-loop= 1187.0000000000000
main_MD> interactions number 1 at Temperature= 1187.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01116 1.22129 -0.24981
force_rgl> df(natom) -2.57638 -0.27251 -1.37220
5.0000 -68.98429 -65.01868 3.96560 2.94192 -62.41834 1427.18751
10.0000 -70.37984 -66.71069 3.66915 2.60465 -65.74660 1170.41682
15.0000 -70.19467 -65.87644 4.31823 2.53871 -66.39729 1065.61499
20.0000 -69.16154 -65.32783 3.83371 2.65541 -65.24569 1170.25115
25.0000 -71.98783 -66.52731 5.46052 2.53739 -66.41035 1067.31770
30.0000 -68.99427 -65.07590 3.91837 2.60962 -65.69755 1127.09522
35.0000 -69.80854 -64.26726 5.54128 2.82008 -63.62069 1249.06316
40.0000 -69.88143 -65.53110 4.35033 2.68264 -64.97700 1199.27045
45.0000 -70.14834 -66.05373 4.09461 2.55234 -66.26284 1031.44620
50.0000 -69.83896 -63.43949 6.39946 2.68995 -64.90480 1168.11462
55.0000 -69.42711 -65.61213 3.81498 2.83106 -63.51237 1309.03098
60.0000 -70.33536 -65.68377 4.65160 2.59125 -65.87884 1129.31177
65.0000 -71.81468 -67.89481 3.91986 2.51125 -66.66828 1079.20174
70.0000 -71.62300 -68.19105 3.43196 2.44786 -67.29384 1023.20103
75.0000 -69.59776 -65.63642 3.96134 2.40485 -67.71825 993.00516
80.0000 -70.16939 -65.45750 4.71189 2.59456 -65.84617 1040.60206
85.0000 -69.00337 -63.60968 5.39369 2.73914 -64.41941 1259.42408
90.0000 -70.59800 -65.72625 4.87175 2.73246 -64.48531 1213.01159
95.0000 -70.44766 -66.61796 3.82970 2.54465 -66.33871 1067.71883
100.0000 -70.19133 -66.06282 4.12850 2.61622 -65.63243 1184.89408
105.0000 -71.35023 -65.73112 5.61911 2.51880 -66.59379 1080.35711
110.0000 -69.31272 -64.63109 4.68162 2.64110 -65.38691 1263.53760
115.0000 -69.06600 -64.02455 5.04145 2.77332 -64.08212 1322.11996
120.0000 -70.20047 -65.07611 5.12436 2.70512 -64.75512 1231.14256
125.0000 -69.27842 -64.41451 4.86391 2.65582 -65.24168 1163.98649
130.0000 -69.37496 -64.38250 4.99246 2.75391 -64.27367 1247.54266
135.0000 -69.59518 -65.67386 3.92132 2.67098 -65.09201 1115.78507
140.0000 -70.16777 -65.83244 4.33533 2.64499 -65.34853 1160.58126
145.0000 -72.00819 -67.02153 4.98666 2.51626 -66.61883 1004.38085
150.0000 -70.99331 -65.91527 5.07803 2.53699 -66.41432 1106.47611
155.0000 -70.68319 -66.59562 4.08757 2.56376 -66.15012 1091.83309
160.0000 -70.19838 -65.55811 4.64027 2.54702 -66.31535 1037.01443
165.0000 -69.39483 -65.53714 3.85769 2.61492 -65.64522 1121.79007
170.0000 -69.16464 -65.36054 3.80410 2.68758 -64.92821 1151.68991
175.0000 -69.85016 -66.39963 3.45052 2.59784 -65.81378 1112.62070
180.0000 -70.98755 -65.48184 5.50571 2.57424 -66.04671 1112.23977
185.0000 -69.76681 -64.95570 4.81111 2.57467 -66.04243 1102.72470
190.0000 -68.93672 -63.05164 5.88509 2.78212 -63.99525 1229.64586
195.0000 -69.85470 -64.87904 4.97566 2.76353 -64.17873 1285.39246
200.0000 -69.41600 -64.02343 5.39257 2.68420 -64.96158 1148.63918
205.0000 -71.03060 -65.12351 5.90709 2.69549 -64.85014 1238.09730
210.0000 -68.80162 -64.60125 4.20037 2.65933 -65.20705 1225.63935
215.0000 -71.76110 -66.58602 5.17508 2.58551 -65.93545 1129.74387
220.0000 -70.65595 -65.91099 4.74496 2.56060 -66.18135 1115.07859
225.0000 -69.32418 -65.18838 4.13581 2.65853 -65.21492 1208.57950
230.0000 -70.27266 -65.09974 5.17292 2.55102 -66.27586 1087.34490
235.0000 -70.15444 -65.39623 4.75822 2.75731 -64.24009 1308.01325
240.0000 -69.50335 -64.07294 5.43041 2.69192 -64.88540 1162.16693
245.0000 -69.54888 -65.64565 3.90323 2.63563 -65.44089 1172.06760
250.0000 -70.18129 -64.83223 5.34906 2.67043 -65.09751 1175.63313
FREEZING PROCESS: loop number 2 T-loop= 1162.0000000000000
main_MD> interactions number 2 at Temperature= 1162.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23316 -3.44841 4.82471
force_rgl> df(natom) 1.27986 -0.34491 0.52286
255.0000 -70.24521 -64.73633 5.50889 2.70837 -64.72309 1259.28524
260.0000 -69.26831 -65.68026 3.58805 2.72233 -64.58531 1222.95872
265.0000 -69.53020 -64.78942 4.74078 2.62156 -65.57972 1136.92314
270.0000 -68.96668 -64.59207 4.37462 2.72698 -64.53938 1244.42425
275.0000 -70.50030 -66.06134 4.43896 2.66194 -65.18122 1223.64948
280.0000 -70.42620 -66.53869 3.88752 2.55640 -66.22277 1112.79929
285.0000 -70.23303 -65.36211 4.87092 2.56417 -66.14604 1116.98243
290.0000 -70.23934 -65.63965 4.59969 2.66507 -65.15040 1260.71938
295.0000 -68.16591 -63.49751 4.66840 2.72479 -64.56108 1301.96676
300.0000 -69.83834 -65.79705 4.04129 2.72062 -64.60217 1214.66938
305.0000 -70.83112 -64.75723 6.07389 2.74466 -64.36499 1284.24686
310.0000 -70.95308 -67.46983 3.48326 2.56454 -66.14245 1092.53549
315.0000 -70.59713 -67.14967 3.44746 2.51074 -66.67333 1039.63214
320.0000 -71.19157 -67.06005 4.13152 2.49380 -66.84055 1030.53259
325.0000 -69.84857 -64.66195 5.18663 2.60304 -65.76245 1180.45141
330.0000 -69.12769 -65.03120 4.09649 2.70292 -64.77686 1212.05814
335.0000 -71.28659 -67.66985 3.61674 2.48317 -66.94541 1041.32353
340.0000 -69.88790 -65.99928 3.88861 2.49407 -66.83783 1023.54003
345.0000 -69.93757 -65.39819 4.53938 2.60758 -65.71765 1112.91638
350.0000 -69.60090 -64.82302 4.77788 2.73912 -64.41966 1276.71016
355.0000 -69.31740 -64.49642 4.82098 2.68674 -64.93649 1223.44852
360.0000 -70.31245 -65.38746 4.92499 2.72279 -64.58078 1215.86455
365.0000 -70.25888 -65.39681 4.86207 2.68543 -64.94946 1206.17696
370.0000 -70.48406 -65.41915 5.06490 2.62971 -65.49927 1148.12136
375.0000 -70.74483 -66.71779 4.02704 2.53880 -66.39645 1070.24636
380.0000 -69.79444 -65.94584 3.84860 2.53372 -66.44653 1125.98103
385.0000 -70.97031 -66.64133 4.32898 2.59710 -65.82112 1101.58576
390.0000 -72.30972 -67.51184 4.79788 2.41198 -67.64790 974.00327
395.0000 -71.32013 -67.11219 4.20794 2.47438 -67.03210 1038.09125
400.0000 -71.06624 -67.98332 3.08292 2.45027 -67.27008 1044.85345
405.0000 -69.39396 -64.80659 4.58737 2.52104 -66.57170 1071.76374
410.0000 -69.61528 -64.20371 5.41157 2.62588 -65.53713 1127.59677
415.0000 -68.73019 -64.48923 4.24096 2.77798 -64.03611 1312.26025
420.0000 -68.86316 -62.79466 6.06849 2.86079 -63.21897 1337.21981
425.0000 -68.97253 -64.14720 4.82532 2.86774 -63.15033 1355.62676
430.0000 -68.97664 -65.33384 3.64280 2.69196 -64.88498 1250.79463
435.0000 -71.29873 -67.06290 4.23583 2.56838 -66.10457 1113.64546
440.0000 -70.91369 -66.00162 4.91207 2.48317 -66.94544 1025.94878
445.0000 -69.36205 -64.85510 4.50695 2.64173 -65.38072 1157.45112
450.0000 -69.08068 -64.50597 4.57471 2.70787 -64.72803 1209.06790
455.0000 -70.19641 -64.15380 6.04261 2.71971 -64.61119 1208.70928
460.0000 -69.69048 -65.60300 4.08748 2.66659 -65.13540 1163.91563
465.0000 -69.78780 -63.90358 5.88422 2.70965 -64.71044 1256.37505
470.0000 -68.63870 -63.58859 5.05011 2.78042 -64.01202 1250.47417
475.0000 -69.89550 -64.40421 5.49129 2.69713 -64.83395 1242.89254
480.0000 -70.12773 -65.57667 4.55106 2.75171 -64.29534 1280.33739
485.0000 -71.52570 -65.39123 6.13446 2.55825 -66.20448 1104.41429
490.0000 -69.72871 -63.89775 5.83096 2.61864 -65.60856 1150.27263
495.0000 -70.05983 -64.63315 5.42668 2.84491 -63.37570 1364.92673
500.0000 -70.79065 -64.23927 6.55138 2.70759 -64.73072 1217.88361
FREEZING PROCESS: loop number 3 T-loop= 1137.0000000000000
main_MD> interactions number 3 at Temperature= 1137.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07661 0.98800 -1.79842
force_rgl> df(natom) 3.02375 -0.33060 0.98236
505.0000 -68.62594 -63.99647 4.62947 2.73746 -64.43602 1295.19883
510.0000 -70.40121 -65.45182 4.94939 2.62905 -65.50577 1187.77823
515.0000 -69.93900 -65.51872 4.42028 2.57886 -66.00106 1149.06264
520.0000 -69.66288 -64.70169 4.96118 2.69841 -64.82139 1234.89072
525.0000 -69.96113 -65.59693 4.36419 2.67560 -65.04643 1223.18073
530.0000 -69.83036 -64.27703 5.55333 2.66865 -65.11504 1217.03166
535.0000 -71.62413 -68.37459 3.24953 2.57266 -66.06225 1073.33029
540.0000 -71.01494 -65.94594 5.06900 2.50676 -66.71263 1025.93457
545.0000 -69.84436 -65.72284 4.12152 2.64820 -65.31684 1163.59700
550.0000 -69.89749 -64.89609 5.00140 2.71215 -64.68572 1257.99526
555.0000 -70.68724 -67.19950 3.48774 2.60831 -65.71049 1151.96832
560.0000 -70.61779 -67.62752 2.99027 2.44268 -67.34495 1032.62310
565.0000 -70.13750 -66.15028 3.98721 2.65211 -65.27826 1222.15037
570.0000 -70.96239 -66.18715 4.77524 2.54449 -66.34029 1139.34912
575.0000 -70.73035 -66.43542 4.29493 2.58349 -65.95544 1133.39636
580.0000 -69.13887 -64.56766 4.57121 2.56347 -66.15295 1152.04415
585.0000 -69.77785 -66.06963 3.70822 2.80053 -63.81357 1330.56063
590.0000 -72.04593 -68.22033 3.82560 2.48360 -66.94113 1011.60530
595.0000 -71.18557 -65.80255 5.38301 2.45924 -67.18159 1005.10529
600.0000 -68.85713 -63.82269 5.03443 2.78505 -63.96639 1282.95607
605.0000 -70.63927 -67.86174 2.77752 2.55592 -66.22745 1089.73316
610.0000 -70.46288 -66.30154 4.16134 2.46411 -67.13352 1024.74690
615.0000 -69.05979 -64.86619 4.19360 2.63896 -65.40798 1149.29090
620.0000 -70.08045 -65.59838 4.48207 2.62890 -65.50726 1140.65114
625.0000 -71.40390 -67.13180 4.27210 2.56844 -66.10392 1167.33105
630.0000 -70.94607 -65.54952 5.39655 2.56553 -66.13269 1115.03185
635.0000 -69.93575 -64.84496 5.09079 2.73298 -64.48024 1298.27504
640.0000 -68.69563 -64.44129 4.25434 2.78894 -63.92796 1353.42651
645.0000 -71.70385 -66.14975 5.55410 2.65995 -65.20092 1219.92912
650.0000 -70.51095 -65.37140 5.13955 2.58698 -65.92096 1172.43777
655.0000 -69.87659 -65.47766 4.39892 2.62908 -65.50548 1165.59392
660.0000 -71.45999 -67.24915 4.21084 2.51958 -66.58610 1113.00075
665.0000 -71.79780 -66.90092 4.89688 2.51520 -66.62930 1061.13079
670.0000 -70.84842 -66.49579 4.35263 2.54677 -66.31774 1089.95361
675.0000 -70.68143 -65.55238 5.12905 2.58540 -65.93659 1181.14689
680.0000 -71.75377 -67.85752 3.89625 2.47726 -67.00368 1063.24489
685.0000 -69.76502 -65.18341 4.58162 2.52565 -66.52624 1055.26723
690.0000 -69.57167 -65.19756 4.37411 2.76658 -64.14861 1281.19453
695.0000 -69.93977 -64.72096 5.21881 2.66894 -65.11216 1215.31723
700.0000 -70.90423 -66.20968 4.69455 2.63769 -65.42058 1200.20612
705.0000 -69.79322 -65.55589 4.23733 2.55744 -66.21249 1077.06918
710.0000 -71.68420 -67.89589 3.78832 2.48908 -66.88710 1045.40374
715.0000 -70.89832 -67.06229 3.83604 2.43012 -67.46887 939.39488
720.0000 -69.21339 -64.56575 4.64764 2.60413 -65.75172 1163.69506
725.0000 -70.05515 -65.66312 4.39203 2.65179 -65.28140 1175.19135
730.0000 -70.79595 -65.37676 5.41919 2.60181 -65.77468 1088.92952
735.0000 -70.71043 -66.27720 4.43323 2.55518 -66.23479 1123.70227
740.0000 -69.98716 -65.58178 4.40539 2.62772 -65.51891 1165.03993
745.0000 -71.81545 -66.91558 4.89988 2.54091 -66.37560 1100.55942
750.0000 -71.70760 -66.66096 5.04664 2.44313 -67.34048 990.10915
FREEZING PROCESS: loop number 4 T-loop= 1112.0000000000000
main_MD> interactions number 4 at Temperature= 1112.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61532 -0.15706 1.09173
force_rgl> df(natom) -2.80905 0.51465 -0.03167
755.0000 -70.03010 -64.70222 5.32788 2.58837 -65.90722 1159.74951
760.0000 -69.91247 -65.57497 4.33749 2.72024 -64.60591 1246.83313
765.0000 -70.43178 -65.70566 4.72613 2.59211 -65.87031 1087.78407
770.0000 -70.84284 -67.10845 3.73439 2.59426 -65.84913 1119.53709
775.0000 -70.68034 -66.67948 4.00086 2.45117 -67.26118 1023.31869
780.0000 -69.97352 -65.19438 4.77914 2.55880 -66.19904 1103.38669
785.0000 -70.37341 -66.04642 4.32700 2.64367 -65.36150 1188.74892
790.0000 -70.33598 -66.20164 4.13435 2.57905 -65.99923 1112.89162
795.0000 -70.72039 -66.91453 3.80585 2.48663 -66.91124 941.40624
800.0000 -72.56966 -68.93792 3.63174 2.48575 -66.91998 1049.59365
805.0000 -70.82858 -67.54655 3.28203 2.33268 -68.43050 932.35902
810.0000 -70.11847 -65.76241 4.35606 2.52975 -66.48577 1051.74237
815.0000 -68.67509 -63.92836 4.74673 2.69480 -64.85699 1203.38138
820.0000 -68.17565 -63.77924 4.39641 2.77618 -64.05393 1254.43909
825.0000 -69.94968 -64.42869 5.52099 2.72056 -64.60277 1300.53883
830.0000 -70.87056 -67.24918 3.62138 2.55357 -66.25066 1050.40577
835.0000 -70.80651 -66.01391 4.79260 2.49225 -66.85578 1010.55688
840.0000 -71.13322 -66.29035 4.84287 2.56264 -66.16118 1083.82398
845.0000 -68.61296 -64.57644 4.03652 2.64703 -65.32837 1260.58982
850.0000 -69.62686 -64.09435 5.53251 2.79986 -63.82018 1260.59929
855.0000 -68.50756 -63.68312 4.82444 2.75943 -64.21921 1261.68776
860.0000 -69.46786 -64.78219 4.68567 2.75264 -64.28620 1269.77924
865.0000 -69.92331 -65.35384 4.56946 2.67261 -65.07598 1197.70989
870.0000 -70.99472 -66.04168 4.95304 2.60513 -65.74189 1110.88045
875.0000 -69.02271 -65.49747 3.52524 2.57381 -66.05095 1142.54457
880.0000 -70.88107 -66.36132 4.51975 2.66918 -65.10979 1200.29185
885.0000 -70.82242 -66.17356 4.64886 2.52441 -66.53839 1057.00097
890.0000 -69.17813 -64.72982 4.44831 2.64123 -65.38561 1136.97130
895.0000 -70.44743 -64.84115 5.60628 2.73131 -64.49673 1242.08926
900.0000 -70.12613 -65.60183 4.52430 2.68426 -64.96095 1220.69449
905.0000 -70.19880 -65.18825 5.01054 2.62162 -65.57914 1183.57917
910.0000 -69.74739 -66.01106 3.73634 2.54449 -66.34029 1037.29059
915.0000 -70.64320 -66.00780 4.63540 2.58521 -65.93840 1139.93789
920.0000 -69.18530 -63.98680 5.19850 2.66997 -65.10197 1165.34376
925.0000 -70.33273 -65.63671 4.69602 2.71369 -64.67058 1244.75017
930.0000 -69.08733 -65.19195 3.89538 2.58120 -65.97806 1148.08922
935.0000 -69.87036 -65.67968 4.19069 2.63797 -65.41780 1170.15051
940.0000 -69.14513 -65.32267 3.82246 2.67056 -65.09618 1209.91747
945.0000 -71.53341 -66.09091 5.44250 2.58388 -65.95159 1086.11514
950.0000 -70.37087 -67.09134 3.27952 2.53588 -66.42529 1120.10154
955.0000 -70.62088 -65.96771 4.65317 2.58742 -65.91668 1106.43215
960.0000 -71.74910 -67.37460 4.37450 2.47302 -67.04554 1026.50842
965.0000 -72.63066 -67.87736 4.75331 2.45596 -67.21393 1028.54333
970.0000 -71.77110 -67.76042 4.01068 2.40023 -67.76383 969.96564
975.0000 -71.56807 -67.16500 4.40308 2.45758 -67.19797 1010.82458
980.0000 -71.34993 -67.15107 4.19886 2.44018 -67.36960 998.48665
985.0000 -71.11417 -66.64131 4.47286 2.53841 -66.40027 1137.91731
990.0000 -70.89631 -65.55277 5.34353 2.57820 -66.00760 1121.55038
995.0000 -70.89855 -66.31807 4.58049 2.59905 -65.80186 1161.51483
1000.0000 -69.39647 -65.76626 3.63020 2.57848 -66.00490 1103.62546
FREEZING PROCESS: loop number 5 T-loop= 1087.0000000000000
main_MD> interactions number 5 at Temperature= 1087.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93759 -0.23867 -0.18058
force_rgl> df(natom) 2.79698 -5.57139 -4.03081
1005.0000 -71.58132 -67.09686 4.48446 2.54164 -66.36845 1026.25481
1010.0000 -70.45077 -65.48418 4.96659 2.48850 -66.89276 1083.88150
1015.0000 -70.09408 -64.61639 5.47768 2.71823 -64.62581 1301.37305
1020.0000 -70.26102 -65.58862 4.67240 2.61050 -65.68886 1179.79753
1025.0000 -70.94603 -66.15561 4.79042 2.65924 -65.20786 1204.17422
1030.0000 -71.07545 -66.93426 4.14119 2.49287 -66.84968 1026.66628
1035.0000 -71.09975 -68.29906 2.80069 2.41652 -67.60311 987.61046
1040.0000 -71.65830 -67.89268 3.76562 2.38037 -67.95988 941.36311
1045.0000 -71.37615 -67.79249 3.58366 2.44159 -67.35576 961.90713
1050.0000 -69.49532 -65.23049 4.26483 2.49611 -66.81772 1046.05111
1055.0000 -69.84152 -66.10902 3.73250 2.62911 -65.50519 1155.29189
1060.0000 -70.25056 -65.80346 4.44711 2.55638 -66.22297 1081.58128
1065.0000 -70.08354 -66.57082 3.51272 2.49734 -66.80561 1018.34587
1070.0000 -70.59485 -66.74619 3.84866 2.50926 -66.68790 1030.61953
1075.0000 -70.57341 -66.17170 4.40171 2.57846 -66.00509 1071.48716
1080.0000 -70.74631 -65.68197 5.06433 2.56137 -66.17374 1065.16579
1085.0000 -70.06146 -65.51514 4.54632 2.54554 -66.32990 1062.58799
1090.0000 -69.39334 -65.42381 3.96953 2.59085 -65.88276 1139.92951
1095.0000 -72.31066 -67.36248 4.94818 2.54096 -66.37510 1080.45264
1100.0000 -70.64497 -66.90637 3.73860 2.54787 -66.30694 1124.80264
1105.0000 -69.99727 -65.31864 4.67863 2.64625 -65.33611 1151.68044
1110.0000 -70.31954 -65.88525 4.43429 2.55871 -66.19998 1081.51429
1115.0000 -69.88544 -64.90458 4.98085 2.65013 -65.29782 1149.33396
1120.0000 -69.49685 -64.70132 4.79553 2.74633 -64.34851 1295.22227
1125.0000 -69.20191 -63.71522 5.48669 2.72649 -64.54428 1236.63607
1130.0000 -71.02026 -65.66052 5.35974 2.71584 -64.64935 1197.45485
1135.0000 -69.81200 -65.44074 4.37125 2.65763 -65.22378 1151.21239
1140.0000 -70.78016 -67.29543 3.48472 2.49821 -66.79703 1025.55079
1145.0000 -71.47622 -67.44954 4.02668 2.39849 -67.78103 975.16821
1150.0000 -71.72601 -68.10539 3.62063 2.37481 -68.01472 979.73842
1155.0000 -71.33749 -66.72754 4.60994 2.39484 -67.81709 982.22159
1160.0000 -70.38695 -65.38784 4.99911 2.57771 -66.01241 1130.56660
1165.0000 -69.07725 -63.71781 5.35944 2.74871 -64.32496 1249.57929
1170.0000 -70.05439 -64.01328 6.04111 2.83257 -63.49741 1411.96581
1175.0000 -69.71342 -64.90748 4.80593 2.71144 -64.69278 1253.96788
1180.0000 -70.63314 -65.44440 5.18875 2.62238 -65.57164 1117.10670
1185.0000 -71.25930 -66.24319 5.01611 2.57820 -66.00762 1089.93395
1190.0000 -71.39712 -67.14039 4.25673 2.51375 -66.64359 1040.88683
1195.0000 -71.78073 -66.26160 5.51913 2.44439 -67.32807 1014.99355
1200.0000 -69.67636 -66.32099 3.35537 2.56395 -66.14824 1127.45504
1205.0000 -70.89611 -67.62583 3.27028 2.49213 -66.85697 1007.79498
1210.0000 -71.41341 -67.35056 4.06285 2.47605 -67.01571 1040.96992
1215.0000 -71.20447 -66.75963 4.44484 2.50887 -66.69178 1109.36457
1220.0000 -71.16090 -66.89175 4.26914 2.48901 -66.88781 1067.81427
1225.0000 -71.92441 -67.26542 4.65899 2.52047 -66.57733 1108.51779
1230.0000 -69.26370 -63.92722 5.33648 2.56441 -66.14373 1088.45558
1235.0000 -69.63315 -64.83007 4.80309 2.70904 -64.71644 1213.48443
1240.0000 -69.30553 -64.29396 5.01157 2.71719 -64.63602 1179.09380
1245.0000 -71.61740 -66.02903 5.58837 2.65206 -65.27878 1220.29139
1250.0000 -69.96985 -66.07621 3.89364 2.59720 -65.82008 1173.86629
FREEZING PROCESS: loop number 6 T-loop= 1062.0000000000000
main_MD> interactions number 6 at Temperature= 1062.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94761 0.16239 0.94004
force_rgl> df(natom) -0.48007 -1.70362 2.44267
1255.0000 -70.37492 -66.87518 3.49974 2.55149 -66.27123 1087.48033
1260.0000 -70.09162 -66.02757 4.06405 2.57245 -66.06439 1102.94847
1265.0000 -71.22170 -67.25498 3.96672 2.47394 -67.03644 995.51036
1270.0000 -71.64335 -68.02843 3.61492 2.32872 -68.46960 916.88374
1275.0000 -72.12576 -68.64351 3.48226 2.34853 -68.27403 949.00016
1280.0000 -72.34435 -67.04135 5.30301 2.35360 -68.22402 929.46405
1285.0000 -71.36258 -66.94581 4.41678 2.43485 -67.42220 1038.88175
1290.0000 -70.89646 -66.14642 4.75004 2.55308 -66.25547 1114.36876
1295.0000 -70.09301 -65.62970 4.46331 2.60509 -65.74224 1119.45535
1300.0000 -68.63466 -65.38584 3.24882 2.69205 -64.88413 1194.36089
1305.0000 -70.85622 -66.29201 4.56420 2.61802 -65.61464 1141.40810
1310.0000 -71.37282 -67.11978 4.25305 2.42861 -67.48379 1039.36273
1315.0000 -70.94968 -67.60179 3.34788 2.46348 -67.13971 1016.56497
1320.0000 -70.49932 -66.86715 3.63217 2.44501 -67.32198 1041.05018
1325.0000 -70.27588 -65.69797 4.57791 2.60253 -65.76756 1140.51629
1330.0000 -70.69872 -65.54546 5.15326 2.62399 -65.55571 1142.05991
1335.0000 -70.33560 -65.19892 5.13668 2.66588 -65.14233 1200.00913
1340.0000 -70.62957 -65.96529 4.66427 2.62830 -65.51324 1187.47326
1345.0000 -71.02545 -68.30603 2.71942 2.52867 -66.49643 1116.27372
1350.0000 -70.83614 -67.33478 3.50136 2.38175 -67.94624 896.29475
1355.0000 -70.09482 -66.00776 4.08706 2.52005 -66.58144 1050.69041
1360.0000 -70.37726 -65.91572 4.46155 2.62759 -65.52026 1147.88287
1365.0000 -71.91386 -66.93590 4.97796 2.53111 -66.47229 1084.96009
1370.0000 -70.54354 -66.45583 4.08771 2.55289 -66.25740 1090.42992
1375.0000 -70.22118 -66.59300 3.62818 2.46009 -67.17312 987.50530
1380.0000 -71.09235 -67.31585 3.77650 2.49659 -66.81297 979.17947
1385.0000 -72.01549 -67.89469 4.12080 2.38636 -67.90077 915.50403
1390.0000 -71.48866 -67.13211 4.35655 2.40043 -67.76192 970.39986
1395.0000 -71.59870 -67.61058 3.98812 2.41000 -67.66747 947.28288
1400.0000 -70.48764 -65.74070 4.74693 2.48621 -66.91536 1042.38847
1405.0000 -69.96434 -65.92436 4.03998 2.52363 -66.54608 1107.85836
1410.0000 -71.73017 -66.05969 5.67048 2.62040 -65.59121 1193.90362
1415.0000 -70.80075 -66.06304 4.73771 2.61880 -65.60701 1155.79560
1420.0000 -71.43044 -68.62617 2.80427 2.46997 -67.07571 1044.74512
1425.0000 -71.15894 -66.36661 4.79232 2.40545 -67.71237 970.96449
1430.0000 -70.20378 -66.08513 4.11865 2.57848 -66.00487 1054.32275
1435.0000 -71.91687 -67.20146 4.71541 2.53125 -66.47097 1047.58413
1440.0000 -70.92438 -65.29702 5.62735 2.58755 -65.91535 1119.93311
1445.0000 -68.91566 -65.35701 3.55866 2.64106 -65.38735 1167.71060
1450.0000 -71.80687 -66.53284 5.27403 2.53716 -66.41260 1054.81009
1455.0000 -71.17607 -66.98387 4.19220 2.51437 -66.63752 1039.01279
1460.0000 -71.10609 -66.78722 4.31887 2.52610 -66.52176 1107.88634
1465.0000 -71.54319 -66.56381 4.97938 2.55906 -66.19648 1071.04961
1470.0000 -70.53504 -66.81316 3.72189 2.47781 -66.99828 1030.53796
1475.0000 -71.32783 -67.60627 3.72156 2.52004 -66.58158 1046.76683
1480.0000 -70.39500 -67.35888 3.03613 2.41909 -67.57777 980.84460
1485.0000 -71.73119 -67.40782 4.32337 2.45968 -67.17725 1013.08812
1490.0000 -71.07838 -66.93707 4.14131 2.40683 -67.69876 974.39844
1495.0000 -70.28799 -65.98899 4.29900 2.52515 -66.53111 1076.51633
1500.0000 -71.14782 -66.26769 4.88013 2.61524 -65.64208 1118.47047
FREEZING PROCESS: loop number 7 T-loop= 1037.0000000000000
main_MD> interactions number 7 at Temperature= 1037.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54124 -3.37714 3.96022
force_rgl> df(natom) -1.35644 -1.91696 0.01607
1505.0000 -71.91564 -67.97439 3.94126 2.44880 -67.28457 1023.66762
1510.0000 -70.47578 -66.16638 4.30940 2.45159 -67.25705 970.08820
1515.0000 -69.01660 -64.66223 4.35437 2.66024 -65.19801 1159.20613
1520.0000 -71.56887 -65.63566 5.93321 2.70894 -64.71745 1258.10931
1525.0000 -69.83900 -65.72853 4.11046 2.60119 -65.78079 1134.73102
1530.0000 -71.09675 -67.67876 3.41799 2.50325 -66.74727 1101.00170
1535.0000 -70.60100 -66.65037 3.95063 2.47481 -67.02794 1030.58141
1540.0000 -70.46299 -66.64922 3.81377 2.51730 -66.60862 1030.67100
1545.0000 -70.23800 -65.95431 4.28369 2.52239 -66.55837 1026.28131
1550.0000 -71.10570 -66.94869 4.15701 2.54138 -66.37097 1057.75587
1555.0000 -71.12749 -66.74388 4.38361 2.45138 -67.25908 957.25657
1560.0000 -70.48148 -66.41527 4.06620 2.45653 -67.20829 1015.41455
1565.0000 -70.69445 -66.18849 4.50596 2.52609 -66.52183 1135.24343
1570.0000 -70.99634 -67.02022 3.97612 2.56893 -66.09912 1062.58718
1575.0000 -70.78134 -66.78903 3.99231 2.56684 -66.11977 1080.99778
1580.0000 -72.05796 -67.58832 4.46964 2.42555 -67.51404 941.93749
1585.0000 -72.06145 -67.58701 4.47444 2.46672 -67.10778 1014.56244
1590.0000 -71.67773 -67.63945 4.03828 2.39719 -67.79392 928.40605
1595.0000 -72.31729 -68.39009 3.92719 2.38619 -67.90243 947.51739
1600.0000 -72.01131 -67.41363 4.59767 2.40726 -67.69452 973.00756
1605.0000 -70.71016 -66.19671 4.51346 2.54222 -66.36266 1110.40906
1610.0000 -70.06524 -66.50989 3.55535 2.57327 -66.05624 1103.12600
1615.0000 -70.87105 -67.96213 2.90892 2.44295 -67.34232 997.16585
1620.0000 -72.15531 -68.39652 3.75879 2.33026 -68.45436 881.81985
1625.0000 -72.03320 -67.76781 4.26539 2.43223 -67.44811 1002.44527
1630.0000 -71.44118 -67.43886 4.00232 2.40132 -67.75308 974.81819
1635.0000 -72.26950 -68.43598 3.83351 2.33868 -68.37127 922.72181
1640.0000 -70.82738 -66.85348 3.97390 2.42926 -67.47740 1023.72273
1645.0000 -70.55180 -66.51723 4.03457 2.51966 -66.58534 1029.15517
1650.0000 -70.07150 -66.65501 3.41649 2.50312 -66.74850 1042.41309
1655.0000 -71.42194 -67.04476 4.37719 2.45592 -67.21432 1013.46632
1660.0000 -71.18847 -66.85791 4.33055 2.55492 -66.23736 1119.24117
1665.0000 -70.91008 -67.38792 3.52217 2.44778 -67.29465 1029.71090
1670.0000 -71.03045 -66.97042 4.06003 2.51468 -66.63443 1057.43420
1675.0000 -70.17937 -66.05071 4.12866 2.59264 -65.86517 1129.94855
1680.0000 -70.76109 -66.63860 4.12249 2.52472 -66.53536 1056.36259
1685.0000 -70.14720 -65.08477 5.06243 2.58773 -65.91358 1111.58268
1690.0000 -69.62375 -64.12654 5.49721 2.73696 -64.44094 1254.71854
1695.0000 -69.77837 -66.05144 3.72693 2.63671 -65.43018 1191.68014
1700.0000 -69.40441 -65.40090 4.00351 2.63998 -65.39796 1156.17593
1705.0000 -71.92564 -66.84069 5.08494 2.55900 -66.19708 1109.58232
1710.0000 -70.99846 -66.26245 4.73601 2.53581 -66.42593 1064.38361
1715.0000 -71.05773 -67.16477 3.89296 2.50016 -66.77779 1057.91450
1720.0000 -71.28226 -67.49375 3.78851 2.47658 -67.01046 1066.20193
1725.0000 -70.90784 -66.81755 4.09029 2.45357 -67.23746 995.03597
1730.0000 -71.62677 -67.32148 4.30529 2.51403 -66.64091 1056.23472
1735.0000 -70.86925 -68.13216 2.73709 2.43565 -67.41437 939.90214
1740.0000 -69.11416 -65.41696 3.69719 2.47399 -67.03602 978.61136
1745.0000 -70.73824 -66.05296 4.68529 2.59061 -65.88519 1131.67259
1750.0000 -71.35541 -67.36528 3.99013 2.47521 -67.02391 1013.93829
FREEZING PROCESS: loop number 8 T-loop= 1012.0000000000000
main_MD> interactions number 8 at Temperature= 1012.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86395 2.54572 -1.86717
force_rgl> df(natom) 0.90655 -2.04388 -1.65012
1755.0000 -71.35789 -67.26637 4.09152 2.44502 -67.32190 1007.62436
1760.0000 -71.59714 -67.39250 4.20464 2.45351 -67.23805 994.06874
1765.0000 -71.58321 -67.95333 3.62988 2.44235 -67.34822 996.05861
1770.0000 -70.67904 -66.20533 4.47371 2.39056 -67.85928 902.50550
1775.0000 -71.28785 -67.70567 3.58218 2.40584 -67.70847 956.67997
1780.0000 -71.43447 -67.41773 4.01674 2.49790 -66.80002 1090.56176
1785.0000 -71.13840 -67.36729 3.77111 2.46368 -67.13770 1016.21241
1790.0000 -70.99177 -66.18172 4.81005 2.50196 -66.75999 1041.92581
1795.0000 -70.81782 -66.57239 4.24544 2.53923 -66.39219 1164.58000
1800.0000 -69.50498 -64.89411 4.61087 2.59583 -65.83361 1114.56441
1805.0000 -70.76372 -67.18878 3.57494 2.54569 -66.32845 1058.19459
1810.0000 -70.51136 -65.97033 4.54102 2.52461 -66.53646 1017.12236
1815.0000 -70.00518 -65.91719 4.08799 2.57733 -66.01623 1096.74570
1820.0000 -70.13939 -66.70789 3.43151 2.51459 -66.63532 1053.24358
1825.0000 -71.61232 -66.79016 4.82215 2.45138 -67.25915 987.07540
1830.0000 -71.12073 -66.94722 4.17351 2.44518 -67.32025 1016.63613
1835.0000 -70.22290 -64.67199 5.55092 2.58042 -65.98572 1132.91632
1840.0000 -70.35430 -65.93899 4.41531 2.71828 -64.62529 1230.96337
1845.0000 -71.00057 -65.58965 5.41092 2.57599 -66.02942 1144.60785
1850.0000 -70.32496 -66.24867 4.07630 2.49311 -66.84735 1042.89770
1855.0000 -71.56737 -67.14562 4.42174 2.51917 -66.59018 1071.10469
1860.0000 -72.20921 -68.36401 3.84519 2.37675 -67.99563 935.49366
1865.0000 -70.94707 -66.65135 4.29572 2.41069 -67.66067 979.21877
1870.0000 -72.27930 -68.32019 3.95911 2.46880 -67.08717 1050.30134
1875.0000 -71.36245 -67.24845 4.11400 2.45733 -67.20037 1000.56989
1880.0000 -72.02948 -68.21969 3.80979 2.39458 -67.81966 945.42651
1885.0000 -71.02207 -66.46730 4.55476 2.41139 -67.65377 963.34267
1890.0000 -70.67796 -66.05152 4.62644 2.52333 -66.54910 1083.04923
1895.0000 -71.90830 -67.57888 4.32942 2.45769 -67.19686 988.78616
1900.0000 -71.81371 -67.78497 4.02874 2.33362 -68.42122 880.53083
1905.0000 -70.66149 -66.95821 3.70327 2.48016 -66.97515 1073.44918
1910.0000 -70.99965 -67.51650 3.48314 2.46741 -67.10096 998.69825
1915.0000 -71.49295 -68.34689 3.14606 2.40263 -67.74016 974.53579
1920.0000 -71.31936 -67.50698 3.81237 2.39566 -67.80895 971.30890
1925.0000 -70.38980 -65.31685 5.07295 2.49673 -66.81158 1065.41817
1930.0000 -71.08967 -67.23582 3.85385 2.57324 -66.05656 1114.02888
1935.0000 -70.41565 -66.47131 3.94433 2.47708 -67.00554 1017.98523
1940.0000 -70.30842 -66.63773 3.67069 2.55878 -66.19924 1094.30466
1945.0000 -71.74870 -68.47708 3.27162 2.47174 -67.05821 986.60404
1950.0000 -70.47244 -67.52674 2.94571 2.38145 -67.94922 877.43564
1955.0000 -72.77413 -68.31149 4.46264 2.40899 -67.67739 976.56168
1960.0000 -71.40263 -67.85036 3.55227 2.34257 -68.33287 932.30549
1965.0000 -71.32658 -67.63931 3.68727 2.41838 -67.58479 914.88800
1970.0000 -71.69863 -67.47181 4.22682 2.43661 -67.40490 1017.40500
1975.0000 -71.76819 -68.06502 3.70317 2.42706 -67.49912 988.25092
1980.0000 -71.68315 -67.56547 4.11768 2.42332 -67.53599 968.14120
1985.0000 -71.84833 -66.95075 4.89758 2.40761 -67.69107 1007.88716
1990.0000 -71.64424 -67.83137 3.81287 2.49931 -66.78617 1068.41314
1995.0000 -71.56374 -67.61308 3.95067 2.46198 -67.15453 1008.54321
2000.0000 -70.31086 -66.61205 3.69880 2.53192 -66.46435 1061.93329
FREEZING PROCESS: loop number 9 T-loop= 987.00000000000000
main_MD> interactions number 9 at Temperature= 987.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97480 1.21863 -1.51583
force_rgl> df(natom) -1.11031 -2.70148 3.66549
2005.0000 -70.29764 -65.92658 4.37105 2.59376 -65.85402 1126.88876
2010.0000 -70.33990 -65.92506 4.41484 2.58772 -65.91371 1056.94074
2015.0000 -70.21254 -66.02374 4.18880 2.56520 -66.13595 1122.84140
2020.0000 -71.45879 -67.67210 3.78669 2.50689 -66.71136 1049.97104
2025.0000 -70.49673 -66.77408 3.72264 2.44725 -67.29990 996.02280
2030.0000 -71.04805 -66.72427 4.32378 2.48231 -66.95384 987.80144
2035.0000 -70.96437 -67.47357 3.49081 2.45378 -67.23539 970.44590
2040.0000 -71.20907 -67.43876 3.77032 2.46748 -67.10026 1061.18988
2045.0000 -71.66336 -66.62670 5.03666 2.44944 -67.27830 1012.44642
2050.0000 -71.44784 -67.37925 4.06859 2.48351 -66.94200 1102.50319
2055.0000 -70.82576 -66.69146 4.13430 2.42952 -67.47485 977.02077
2060.0000 -69.90460 -66.01690 3.88771 2.45694 -67.20422 979.68634
2065.0000 -70.38969 -65.51603 4.87366 2.56814 -66.10692 1097.36940
2070.0000 -69.99810 -66.89331 3.10479 2.53670 -66.41720 1159.79407
2075.0000 -71.04740 -67.36121 3.68619 2.46665 -67.10845 1022.73768
2080.0000 -72.20732 -68.42327 3.78405 2.41072 -67.66037 956.72607
2085.0000 -71.97657 -67.63178 4.34480 2.34389 -68.31983 972.74085
2090.0000 -71.34275 -67.31268 4.03007 2.44541 -67.31799 1017.42857
2095.0000 -70.17073 -67.05053 3.12020 2.47047 -67.07069 1036.82445
2100.0000 -71.37519 -66.95797 4.41722 2.51171 -66.66379 1026.67567
2105.0000 -71.35120 -68.02540 3.32581 2.44109 -67.36068 968.25809
2110.0000 -72.88922 -68.67768 4.21155 2.29425 -68.80973 888.50611
2115.0000 -72.07620 -68.48619 3.59001 2.32070 -68.54866 901.74734
2120.0000 -72.40896 -68.29433 4.11463 2.30628 -68.69105 897.27344
2125.0000 -71.24727 -67.06038 4.18689 2.44633 -67.30898 1027.34715
2130.0000 -71.26531 -66.57666 4.68866 2.49481 -66.83050 1068.58788
2135.0000 -70.50475 -66.47466 4.03009 2.48753 -66.90242 1044.37633
2140.0000 -71.66074 -67.87200 3.78874 2.47810 -66.99539 1048.05730
2145.0000 -72.25150 -68.52132 3.73018 2.34280 -68.33065 896.19214
2150.0000 -71.91995 -68.17057 3.74939 2.32565 -68.49984 930.56796
2155.0000 -71.87693 -68.52452 3.35241 2.42571 -67.51246 1024.61437
2160.0000 -71.75180 -68.43794 3.31386 2.30569 -68.69680 893.57132
2165.0000 -72.10177 -68.86888 3.23289 2.35846 -68.17603 904.23996
2170.0000 -71.40126 -67.95366 3.44761 2.42304 -67.53874 1005.53700
2175.0000 -70.72700 -66.38706 4.33993 2.42408 -67.52851 1004.39767
2180.0000 -71.01592 -66.51073 4.50519 2.57433 -66.04580 1102.65921
2185.0000 -69.98921 -65.88966 4.09955 2.55114 -66.27463 1092.59416
2190.0000 -71.43444 -67.11950 4.31494 2.47465 -67.02944 993.91279
2195.0000 -69.64858 -66.63751 3.01107 2.51173 -66.66352 1019.48411
2200.0000 -71.78308 -67.11351 4.66957 2.50071 -66.77230 1057.78593
2205.0000 -71.47549 -66.30414 5.17135 2.49689 -66.81005 1011.27428
2210.0000 -70.44868 -66.37152 4.07715 2.53463 -66.43755 1052.41833
2215.0000 -72.50452 -68.62525 3.87927 2.42681 -67.50159 1004.40625
2220.0000 -72.50972 -69.12190 3.38782 2.30723 -68.68163 888.63517
2225.0000 -70.72256 -67.52103 3.20153 2.36959 -68.06627 899.21806
2230.0000 -70.95308 -67.82368 3.12941 2.38466 -67.91748 962.60769
2235.0000 -72.29345 -68.01643 4.27703 2.35859 -68.17483 915.16024
2240.0000 -71.11877 -67.11379 4.00498 2.39348 -67.83047 1048.43102
2245.0000 -71.72251 -67.51963 4.20288 2.44278 -67.34399 998.35399
2250.0000 -72.31058 -68.64291 3.66767 2.38656 -67.89882 979.43687
FREEZING PROCESS: loop number 10 T-loop= 962.00000000000000
main_MD> interactions number 10 at Temperature= 962.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52774 3.90739 -0.40892
force_rgl> df(natom) -0.23450 3.18763 -1.46507
2255.0000 -70.82580 -67.24391 3.58189 2.42343 -67.53498 998.23535
2260.0000 -72.96207 -69.05230 3.90977 2.31121 -68.64233 946.85178
2265.0000 -71.71786 -68.92737 2.79049 2.28341 -68.91668 843.28357
2270.0000 -71.09746 -67.46021 3.63724 2.39327 -67.83255 908.27799
2275.0000 -71.47214 -67.37472 4.09742 2.44575 -67.31464 988.30948
2280.0000 -70.62835 -67.22776 3.40059 2.50561 -66.72397 1041.34623
2285.0000 -70.71571 -67.12157 3.59414 2.41320 -67.63584 983.28204
2290.0000 -71.56826 -68.53348 3.03478 2.38437 -67.92039 964.64874
2295.0000 -71.57507 -68.41121 3.16387 2.31576 -68.59750 852.57820
2300.0000 -71.07043 -67.60758 3.46285 2.33831 -68.37489 929.28849
2305.0000 -72.22220 -67.84074 4.38146 2.37538 -68.00914 956.05656
2310.0000 -70.10655 -66.76715 3.33941 2.46890 -67.08625 1054.96015
2315.0000 -71.25394 -66.86605 4.38789 2.50131 -66.76635 1058.53429
2320.0000 -72.11914 -68.55741 3.56172 2.39497 -67.81582 944.57086
2325.0000 -72.89819 -69.47383 3.42436 2.23715 -69.37324 806.69176
2330.0000 -71.89236 -68.50579 3.38657 2.29518 -68.80057 825.38266
2335.0000 -71.55889 -68.13070 3.42819 2.34288 -68.32979 924.94181
2340.0000 -71.92162 -67.81668 4.10494 2.34460 -68.31288 945.55789
2345.0000 -71.49659 -67.47082 4.02577 2.42247 -67.54437 983.00415
2350.0000 -71.83021 -68.35042 3.47979 2.37324 -68.03025 947.96812
2355.0000 -71.32564 -68.19260 3.13304 2.40372 -67.72943 929.38315
2360.0000 -70.90879 -67.02978 3.87900 2.39286 -67.83657 901.28629
2365.0000 -71.60636 -67.40078 4.20558 2.40952 -67.67216 981.11288
2370.0000 -70.98792 -67.01311 3.97480 2.43264 -67.44408 939.71606
2375.0000 -72.29126 -68.32487 3.96639 2.45374 -67.23584 1007.67178
2380.0000 -71.78316 -68.47599 3.30718 2.32709 -68.48563 901.76859
2385.0000 -72.21676 -68.62843 3.58834 2.32331 -68.52294 897.72505
2390.0000 -71.49200 -68.05562 3.43637 2.34574 -68.30157 868.06334
2395.0000 -71.57353 -67.44503 4.12850 2.42862 -67.48376 975.83456
2400.0000 -71.76237 -67.51328 4.24910 2.40937 -67.67371 949.63458
2405.0000 -71.64539 -67.28184 4.36354 2.50775 -66.70285 1050.89801
2410.0000 -70.82614 -67.20787 3.61827 2.43679 -67.40306 984.62233
2415.0000 -72.15101 -68.85392 3.29710 2.36671 -68.09464 908.90849
2420.0000 -72.02492 -68.50157 3.52335 2.35759 -68.18461 885.29672
2425.0000 -71.35009 -68.31772 3.03237 2.36461 -68.11536 953.27825
2430.0000 -71.57357 -66.82646 4.74711 2.42022 -67.56658 971.32326
2435.0000 -70.60031 -67.12047 3.47985 2.45500 -67.22341 948.39582
2440.0000 -70.54738 -66.91067 3.63671 2.53292 -66.45447 1009.22842
2445.0000 -70.74866 -67.07658 3.67209 2.48406 -66.93657 1024.88131
2450.0000 -70.85169 -67.60648 3.24522 2.51131 -66.66767 1007.89755
2455.0000 -71.99365 -67.65502 4.33864 2.36684 -68.09334 926.53308
2460.0000 -71.27995 -66.87578 4.40417 2.46259 -67.14849 1022.43013
2465.0000 -71.54536 -67.94567 3.59970 2.43119 -67.45838 985.12628
2470.0000 -71.78149 -68.03122 3.75028 2.32418 -68.51441 862.78557
2475.0000 -72.46315 -68.47439 3.98876 2.34337 -68.32496 942.94338
2480.0000 -71.61248 -68.42305 3.18943 2.30936 -68.66063 860.37690
2485.0000 -71.51733 -68.58298 2.93435 2.30950 -68.65920 856.86684
2490.0000 -73.34350 -70.41673 2.92677 2.23901 -69.35484 819.06111
2495.0000 -73.60119 -70.18709 3.41409 2.11998 -70.52950 734.40525
2500.0000 -72.66751 -69.48543 3.18208 2.17752 -69.96159 789.64593
FREEZING PROCESS: loop number 11 T-loop= 937.00000000000000
main_MD> interactions number 11 at Temperature= 937.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08887 0.96680 -2.79329
force_rgl> df(natom) -1.47604 2.72263 1.36108
2505.0000 -72.91641 -69.92899 2.98742 2.21666 -69.57539 801.52547
2510.0000 -72.30967 -68.49285 3.81681 2.25707 -69.17663 782.29125
2515.0000 -72.45166 -69.33487 3.11679 2.26767 -69.07203 872.39438
2520.0000 -71.99642 -68.66797 3.32844 2.32526 -68.50368 906.09354
2525.0000 -71.67486 -68.38016 3.29470 2.33697 -68.38815 926.70834
2530.0000 -72.25589 -67.43776 4.81813 2.40465 -67.72028 945.03548
2535.0000 -72.57878 -68.96178 3.61700 2.32700 -68.48651 871.05727
2540.0000 -73.10500 -70.26588 2.83911 2.25022 -69.24418 774.72744
2545.0000 -72.65261 -68.64041 4.01220 2.17446 -69.99181 752.12992
2550.0000 -73.32311 -69.76037 3.56274 2.28085 -68.94198 837.70862
2555.0000 -72.76174 -69.84821 2.91353 2.18380 -69.89967 809.57137
2560.0000 -71.93557 -69.09810 2.83747 2.22500 -69.49314 843.42328
2565.0000 -72.15864 -69.55158 2.60706 2.19310 -69.80793 797.47139
2570.0000 -72.58305 -68.42751 4.15554 2.28793 -68.87211 878.77449
2575.0000 -72.49574 -69.19318 3.30256 2.28502 -68.90077 861.03712
2580.0000 -72.68037 -69.43028 3.25009 2.28259 -68.92478 831.14223
2585.0000 -71.03258 -66.43100 4.60158 2.32805 -68.47619 896.03186
2590.0000 -71.09005 -67.54635 3.54370 2.48379 -66.93927 994.51131
2595.0000 -71.39338 -67.00991 4.38347 2.44788 -67.29368 982.97333
2600.0000 -72.90269 -69.30394 3.59875 2.40364 -67.73021 1002.02186
2605.0000 -71.34106 -67.39776 3.94330 2.35584 -68.20197 920.13667
2610.0000 -70.19394 -65.40173 4.79222 2.59524 -65.83945 1103.68786
2615.0000 -71.39038 -67.28635 4.10403 2.49073 -66.87079 1043.91845
2620.0000 -71.97598 -68.07695 3.89903 2.45192 -67.25375 1021.98728
2625.0000 -71.22691 -66.98566 4.24125 2.44636 -67.30868 979.09859
2630.0000 -71.71885 -67.93017 3.78867 2.36475 -68.11401 951.56668
2635.0000 -71.95274 -67.99426 3.95848 2.31843 -68.57110 893.58101
2640.0000 -71.49115 -68.08819 3.40296 2.44862 -67.28631 998.27745
2645.0000 -70.56558 -67.36182 3.20376 2.41294 -67.63845 949.08120
2650.0000 -71.99744 -68.17955 3.81789 2.41683 -67.60005 988.62410
2655.0000 -72.86515 -69.55228 3.31287 2.24277 -69.31772 810.95333
2660.0000 -72.00016 -68.94049 3.05966 2.24810 -69.26511 815.03642
2665.0000 -71.27279 -67.66544 3.60735 2.44329 -67.33894 946.24512
2670.0000 -72.44127 -68.84554 3.59573 2.29108 -68.84095 878.72548
2675.0000 -73.32529 -69.08216 4.24313 2.28615 -68.88960 855.25956
2680.0000 -72.43359 -69.24297 3.19062 2.29886 -68.76422 892.77652
2685.0000 -71.13837 -67.21248 3.92589 2.37853 -67.97799 944.57994
2690.0000 -72.25753 -68.13434 4.12319 2.41349 -67.63299 972.02953
2695.0000 -71.14613 -67.10894 4.03719 2.39458 -67.81965 943.98710
2700.0000 -70.63510 -66.85270 3.78240 2.46844 -67.09078 1006.48704
2705.0000 -70.92169 -65.69348 5.22822 2.55167 -66.26943 1048.82256
2710.0000 -70.33208 -65.35274 4.97935 2.56547 -66.13320 1057.55980
2715.0000 -71.86829 -66.95897 4.90931 2.51329 -66.64813 1087.75824
2720.0000 -73.16682 -69.24664 3.92018 2.35751 -68.18548 921.06880
2725.0000 -72.75459 -68.88175 3.87285 2.29259 -68.82612 855.44318
2730.0000 -72.64070 -69.64223 2.99848 2.25530 -69.19405 833.30115
2735.0000 -72.37960 -69.08610 3.29350 2.23491 -69.39525 806.60278
2740.0000 -72.26225 -68.56004 3.70221 2.24925 -69.25376 851.54457
2745.0000 -71.46863 -67.65393 3.81470 2.32788 -68.47788 909.70860
2750.0000 -70.87830 -65.95852 4.91977 2.48220 -66.95495 1059.66496
FREEZING PROCESS: loop number 12 T-loop= 912.00000000000000
main_MD> interactions number 12 at Temperature= 912.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 8.83939 -4.67897 7.13302
force_rgl> df(natom) -1.59041 -3.02613 -3.53685
2755.0000 -69.35572 -66.00368 3.35204 2.53477 -66.43622 1054.84135
2760.0000 -71.08361 -67.26697 3.81664 2.49873 -66.79182 1030.90471
2765.0000 -71.64659 -67.93480 3.71178 2.43783 -67.39287 1027.81171
2770.0000 -72.91530 -69.62501 3.29029 2.27617 -68.98809 886.01698
2775.0000 -73.41960 -69.77901 3.64059 2.22100 -69.53260 830.63997
2780.0000 -72.79975 -69.40539 3.39436 2.18852 -69.85310 808.37803
2785.0000 -73.41200 -69.95010 3.46190 2.19605 -69.77875 768.77416
2790.0000 -72.55952 -69.21962 3.33989 2.25592 -69.18797 837.55461
2795.0000 -70.89219 -68.07492 2.81727 2.33466 -68.41090 882.19676
2800.0000 -73.15142 -68.87625 4.27517 2.34140 -68.34445 952.47733
2805.0000 -72.39094 -68.50037 3.89057 2.32032 -68.55249 919.41215
2810.0000 -71.88187 -69.02323 2.85864 2.31597 -68.59539 879.18894
2815.0000 -72.38291 -69.34307 3.03984 2.30501 -68.70349 875.80912
2820.0000 -72.98245 -69.77410 3.20835 2.25988 -69.14888 793.54093
2825.0000 -73.10552 -69.41836 3.68716 2.25896 -69.15797 864.79795
2830.0000 -73.02297 -69.99102 3.03195 2.20025 -69.73737 788.88345
2835.0000 -72.41888 -69.31298 3.10590 2.23424 -69.40190 810.80268
2840.0000 -72.10672 -68.08304 4.02368 2.26812 -69.06757 844.40919
2845.0000 -72.07663 -68.72460 3.35203 2.32910 -68.46576 903.26066
2850.0000 -72.59646 -68.79525 3.80120 2.36093 -68.15167 931.51052
2855.0000 -71.09742 -66.85135 4.24607 2.44568 -67.31539 1041.03630
2860.0000 -71.92716 -67.59969 4.32748 2.44496 -67.32243 999.72002
2865.0000 -71.79214 -68.53300 3.25915 2.33997 -68.35858 887.95386
2870.0000 -72.48546 -68.00566 4.47980 2.36594 -68.10221 917.60145
2875.0000 -72.43355 -68.28236 4.15119 2.38923 -67.87247 960.99941
2880.0000 -71.31824 -67.85719 3.46105 2.36883 -68.07370 967.00727
2885.0000 -70.79083 -67.89181 2.89902 2.41791 -67.58937 981.43282
2890.0000 -71.28540 -66.94617 4.33924 2.45701 -67.20354 975.87873
2895.0000 -71.58333 -67.72277 3.86056 2.41191 -67.64863 1007.21771
2900.0000 -71.92741 -68.89120 3.03621 2.37344 -68.02829 867.28029
2905.0000 -71.68781 -66.94808 4.73973 2.36167 -68.14438 936.24422
2910.0000 -71.48853 -67.85005 3.63848 2.45630 -67.21056 963.61211
2915.0000 -72.38645 -67.89510 4.49135 2.40103 -67.75597 939.94250
2920.0000 -72.15430 -68.49261 3.66169 2.29779 -68.77476 879.33159
2925.0000 -71.87517 -67.72929 4.14587 2.32906 -68.46617 897.26777
2930.0000 -71.39341 -68.20378 3.18963 2.40262 -67.74033 978.39822
2935.0000 -71.38725 -66.57165 4.81560 2.45243 -67.24871 1050.75650
2940.0000 -71.82006 -67.94190 3.87816 2.39126 -67.85237 970.93009
2945.0000 -72.12350 -68.50259 3.62091 2.39711 -67.79470 948.44885
2950.0000 -72.22541 -68.77792 3.44749 2.31029 -68.65146 872.92977
2955.0000 -72.80472 -69.13216 3.67256 2.24374 -69.30820 785.79556
2960.0000 -72.56381 -68.33263 4.23118 2.29599 -68.79251 883.01651
2965.0000 -71.94894 -67.43184 4.51710 2.38369 -67.92707 993.53453
2970.0000 -71.68941 -65.80344 5.88597 2.50056 -66.77381 1068.87449
2975.0000 -71.08565 -67.01810 4.06755 2.52361 -66.54633 1065.44525
2980.0000 -71.89655 -68.70215 3.19439 2.37515 -68.01134 945.87506
2985.0000 -72.45097 -68.93298 3.51798 2.23953 -69.34972 816.28624
2990.0000 -72.63694 -69.47290 3.16404 2.25873 -69.16027 836.44868
2995.0000 -73.04865 -68.87908 4.16957 2.28365 -68.91431 881.29769
3000.0000 -72.56203 -68.70303 3.85900 2.31587 -68.59636 883.02355
FREEZING PROCESS: loop number 13 T-loop= 887.00000000000000
main_MD> interactions number 13 at Temperature= 887.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25610 0.51561 -1.15765
force_rgl> df(natom) 4.71078 4.31362 0.19963
3005.0000 -71.72880 -67.56169 4.16711 2.37001 -68.06206 933.02768
3010.0000 -71.65034 -67.39886 4.25148 2.39483 -67.81712 958.48425
3015.0000 -72.09760 -69.02006 3.07754 2.34064 -68.35188 898.82434
3020.0000 -72.56589 -68.43259 4.13330 2.29586 -68.79386 857.52576
3025.0000 -71.87569 -67.99005 3.88564 2.38466 -67.91757 951.80880
3030.0000 -72.64775 -68.73760 3.91015 2.35000 -68.25957 878.23060
3035.0000 -72.06312 -68.23179 3.83133 2.30577 -68.69606 888.25584
3040.0000 -72.70226 -68.58599 4.11627 2.32532 -68.50311 889.29725
3045.0000 -72.92998 -69.35001 3.57997 2.28819 -68.86953 903.03578
3050.0000 -72.76972 -68.72720 4.04252 2.22483 -69.49474 797.93857
3055.0000 -71.05865 -67.85094 3.20771 2.32336 -68.52241 834.69411
3060.0000 -72.23340 -68.72830 3.50510 2.33589 -68.39883 944.80902
3065.0000 -72.17102 -68.72346 3.44755 2.30785 -68.67550 873.84485
3070.0000 -71.81729 -67.82460 3.99269 2.35712 -68.18932 914.25158
3075.0000 -72.27151 -68.86478 3.40673 2.30526 -68.70108 887.86957
3080.0000 -72.83186 -68.16375 4.66811 2.37172 -68.04524 962.26501
3085.0000 -71.09077 -67.07560 4.01517 2.36982 -68.06396 1009.12589
3090.0000 -72.27897 -68.51339 3.76558 2.38954 -67.86935 944.31305
3095.0000 -71.91255 -68.62673 3.28582 2.35221 -68.23772 921.90509
3100.0000 -72.70253 -69.67974 3.02280 2.27321 -69.01731 843.56426
3105.0000 -72.75279 -68.71011 4.04268 2.22211 -69.52166 829.53821
3110.0000 -72.91024 -69.04701 3.86323 2.23562 -69.38831 791.69587
3115.0000 -73.07391 -69.85279 3.22112 2.23125 -69.43137 804.91843
3120.0000 -72.84775 -68.22101 4.62674 2.28944 -68.85717 891.83957
3125.0000 -71.88783 -68.64086 3.24697 2.32411 -68.51510 959.00860
3130.0000 -72.54268 -69.49340 3.04928 2.22979 -69.44578 830.90834
3135.0000 -72.08874 -68.92854 3.16019 2.26520 -69.09640 857.62847
3140.0000 -73.71117 -70.62713 3.08405 2.18248 -69.91269 756.60091
3145.0000 -72.95786 -69.79500 3.16286 2.14530 -70.27963 753.03434
3150.0000 -73.01365 -68.82796 4.18570 2.22107 -69.53186 815.19771
3155.0000 -72.60074 -69.34305 3.25769 2.25923 -69.15532 845.17095
3160.0000 -70.51874 -67.56101 2.95773 2.30355 -68.71790 863.15852
3165.0000 -73.07181 -68.70025 4.37156 2.39685 -67.79719 976.66067
3170.0000 -72.51695 -69.27232 3.24463 2.27517 -68.99804 875.87557
3175.0000 -72.94248 -69.29751 3.64496 2.30133 -68.73983 886.27354
3180.0000 -73.30293 -69.83376 3.46917 2.21060 -69.63519 807.83765
3185.0000 -73.17605 -69.66666 3.50939 2.17866 -69.95043 789.26416
3190.0000 -72.11293 -68.71588 3.39705 2.23155 -69.42850 844.63586
3195.0000 -73.22274 -70.64808 2.57466 2.20543 -69.68621 812.73472
3200.0000 -73.07831 -69.93112 3.14719 2.17866 -69.95042 777.01023
3205.0000 -71.90614 -67.81693 4.08921 2.31857 -68.56971 925.57111
3210.0000 -72.33645 -68.42083 3.91561 2.32270 -68.52893 882.21567
3215.0000 -72.08834 -68.11512 3.97322 2.31396 -68.61523 883.93410
3220.0000 -73.16176 -69.72399 3.43777 2.30440 -68.70957 903.11118
3225.0000 -71.89661 -67.98260 3.91401 2.32683 -68.48817 856.63267
3230.0000 -71.85242 -69.04715 2.80527 2.29825 -68.77021 830.29418
3235.0000 -72.05192 -69.48316 2.56876 2.25666 -69.18070 839.56299
3240.0000 -72.86506 -69.39478 3.47028 2.24370 -69.30860 827.74914
3245.0000 -72.58877 -69.05682 3.53195 2.15173 -70.21612 759.72950
3250.0000 -71.51971 -68.59952 2.92020 2.30022 -68.75082 877.48587
FREEZING PROCESS: loop number 14 T-loop= 862.00000000000000
main_MD> interactions number 14 at Temperature= 862.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.91776 7.56498 -2.03744
force_rgl> df(natom) 1.86565 -0.77916 3.27680
3255.0000 -71.98876 -68.29128 3.69749 2.29599 -68.79257 833.41736
3260.0000 -71.14702 -67.98567 3.16135 2.35296 -68.23038 966.82256
3265.0000 -72.48368 -68.79273 3.69095 2.30855 -68.66859 871.01549
3270.0000 -71.84705 -68.23944 3.60761 2.31722 -68.58306 884.84632
3275.0000 -70.96625 -66.97826 3.98798 2.42177 -67.55129 953.59804
3280.0000 -70.36029 -66.49345 3.86684 2.49731 -66.80591 1041.64758
3285.0000 -72.48321 -69.71335 2.76986 2.41991 -67.56966 993.91516
3290.0000 -72.54741 -69.67098 2.87643 2.26633 -69.08523 851.92535
3295.0000 -72.50035 -68.64562 3.85472 2.30007 -68.75225 862.88523
3300.0000 -72.35741 -68.60774 3.74968 2.34461 -68.31279 889.16251
3305.0000 -73.20814 -69.57137 3.63677 2.28433 -68.90763 865.96510
3310.0000 -71.12264 -67.83367 3.28897 2.37722 -67.99090 929.68394
3315.0000 -72.92510 -68.99153 3.93358 2.32230 -68.53288 897.48317
3320.0000 -72.02222 -68.72127 3.30095 2.22841 -69.45948 781.38379
3325.0000 -70.95828 -68.53811 2.42018 2.27044 -69.04466 786.63862
3330.0000 -72.72231 -68.42220 4.30011 2.33946 -68.36354 850.00687
3335.0000 -72.58284 -69.03900 3.54384 2.35198 -68.24005 889.00880
3340.0000 -72.13354 -68.92573 3.20781 2.29655 -68.78704 855.04276
3345.0000 -71.94012 -67.56781 4.37231 2.39418 -67.82361 929.19872
3350.0000 -72.87941 -69.09097 3.78845 2.32736 -68.48301 857.71158
3355.0000 -72.77578 -68.96065 3.81513 2.25517 -69.19539 808.56619
3360.0000 -72.85410 -69.27536 3.57875 2.24075 -69.33769 828.78406
3365.0000 -71.81123 -68.59314 3.21809 2.31740 -68.58128 885.54541
3370.0000 -71.70608 -68.92570 2.78039 2.29430 -68.80922 820.41201
3375.0000 -71.91433 -68.50073 3.41360 2.34010 -68.35728 909.01551
3380.0000 -71.68391 -68.39159 3.29232 2.36037 -68.15724 935.23943
3385.0000 -72.48601 -68.24788 4.23813 2.28117 -68.93879 858.13667
3390.0000 -72.73480 -68.91195 3.82285 2.28281 -68.92256 833.22042
3395.0000 -73.47968 -70.59922 2.88046 2.14771 -70.25577 740.24274
3400.0000 -71.53187 -67.65307 3.87879 2.25109 -69.23564 855.94046
3405.0000 -72.40893 -68.40624 4.00270 2.37661 -67.99696 940.95550
3410.0000 -72.46121 -68.44659 4.01462 2.30849 -68.66922 819.24417
3415.0000 -72.59492 -69.13403 3.46089 2.31073 -68.64705 840.00060
3420.0000 -72.84598 -68.78704 4.05894 2.22411 -69.50189 792.18653
3425.0000 -71.93708 -68.40766 3.52942 2.31504 -68.60458 887.61026
3430.0000 -72.07391 -68.10022 3.97369 2.29242 -68.82775 901.49469
3435.0000 -72.59221 -68.91589 3.67632 2.26498 -69.09857 816.22604
3440.0000 -71.92857 -68.82786 3.10071 2.31436 -68.61126 864.12500
3445.0000 -72.46012 -68.97450 3.48562 2.29177 -68.83421 840.23414
3450.0000 -72.28639 -68.66186 3.62453 2.34400 -68.31878 917.71984
3455.0000 -72.21296 -68.67442 3.53854 2.33253 -68.43197 882.96252
3460.0000 -72.16518 -68.55216 3.61302 2.29998 -68.75317 831.91712
3465.0000 -71.35028 -67.61613 3.73415 2.37296 -68.03295 918.62043
3470.0000 -71.89121 -68.91679 2.97442 2.30661 -68.68778 869.18857
3475.0000 -71.79915 -68.37246 3.42669 2.30598 -68.69399 860.98759
3480.0000 -72.76473 -69.35401 3.41072 2.30574 -68.69632 884.23220
3485.0000 -73.20220 -70.63589 2.56631 2.20826 -69.65824 783.80644
3490.0000 -71.89089 -69.03615 2.85474 2.19877 -69.75192 767.95700
3495.0000 -73.13541 -69.31489 3.82052 2.25078 -69.23865 833.31331
3500.0000 -73.22547 -70.26912 2.95635 2.15760 -70.15819 749.62962
FREEZING PROCESS: loop number 15 T-loop= 837.00000000000000
main_MD> interactions number 15 at Temperature= 837.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16154 0.88878 0.65769
force_rgl> df(natom) 2.06687 -1.62034 0.83976
3505.0000 -72.34408 -69.04532 3.29877 2.24587 -69.28710 799.38542
3510.0000 -72.12437 -67.83030 4.29407 2.31722 -68.58306 866.26772
3515.0000 -72.16649 -68.75763 3.40886 2.35931 -68.16769 931.47522
3520.0000 -72.56162 -68.54739 4.01422 2.38097 -67.95396 933.50347
3525.0000 -71.89786 -67.66158 4.23629 2.36096 -68.15139 922.26979
3530.0000 -71.87368 -68.35427 3.51941 2.37660 -67.99702 925.31542
3535.0000 -73.22483 -69.33126 3.89357 2.29629 -68.78955 889.91104
3540.0000 -71.77228 -69.02494 2.74734 2.28849 -68.86657 859.55072
3545.0000 -72.05288 -69.56707 2.48580 2.26921 -69.05680 826.01827
3550.0000 -72.35144 -69.63649 2.71495 2.22829 -69.46058 776.00253
3555.0000 -72.73833 -68.54363 4.19470 2.22364 -69.50647 796.21685
3560.0000 -72.47191 -69.62648 2.84543 2.28429 -68.90803 848.42095
3565.0000 -73.04904 -69.73134 3.31770 2.20565 -69.68404 781.67980
3570.0000 -72.03036 -68.76982 3.26054 2.28263 -68.92436 883.64374
3575.0000 -72.68926 -68.96485 3.72441 2.34641 -68.29496 907.51304
3580.0000 -71.55459 -68.07783 3.47676 2.32129 -68.54288 859.84147
3585.0000 -72.64477 -68.89737 3.74740 2.32608 -68.49563 860.55765
3590.0000 -72.46231 -69.06471 3.39760 2.25870 -69.16057 862.98698
3595.0000 -72.76297 -69.44058 3.32238 2.25176 -69.22900 836.05384
3600.0000 -71.79635 -69.04302 2.75333 2.26050 -69.14272 823.49645
3605.0000 -73.00090 -70.25817 2.74274 2.23587 -69.38578 784.55059
3610.0000 -72.72611 -70.32726 2.39885 2.15084 -70.22491 724.49018
3615.0000 -73.58406 -70.56855 3.01552 2.17706 -69.96620 779.81087
3620.0000 -73.06286 -70.13623 2.92662 2.16280 -70.10685 720.62213
3625.0000 -72.00955 -68.67300 3.33655 2.24598 -69.28610 791.58589
3630.0000 -71.82095 -67.63986 4.18109 2.34994 -68.26011 951.74532
3635.0000 -72.93434 -69.86891 3.06543 2.34898 -68.26966 904.55326
3640.0000 -72.40754 -69.75037 2.65717 2.23512 -69.39322 829.02699
3645.0000 -72.41781 -69.11726 3.30055 2.24369 -69.30870 808.18757
3650.0000 -72.69009 -69.62755 3.06253 2.23032 -69.44055 806.09808
3655.0000 -72.60045 -69.26422 3.33623 2.21953 -69.54707 830.54559
3660.0000 -72.36503 -68.80332 3.56171 2.27128 -69.03639 842.07984
3665.0000 -73.02306 -69.24658 3.77648 2.24888 -69.25747 866.59194
3670.0000 -72.45318 -68.24948 4.20369 2.23696 -69.37506 833.66317
3675.0000 -71.52314 -67.99838 3.52476 2.35287 -68.23123 931.70990
3680.0000 -71.60898 -68.23731 3.37168 2.33355 -68.42188 891.23120
3685.0000 -71.88490 -68.91942 2.96548 2.30631 -68.69073 861.39787
3690.0000 -71.63396 -68.14834 3.48562 2.31148 -68.63966 826.49109
3695.0000 -71.34899 -68.40003 2.94896 2.32320 -68.52403 903.52551
3700.0000 -72.35844 -68.52035 3.83809 2.26395 -69.10872 878.78079
3705.0000 -72.15601 -68.37768 3.77833 2.37319 -68.03067 958.30047
3710.0000 -72.32362 -68.18350 4.14012 2.33598 -68.39795 924.94141
3715.0000 -72.13645 -68.58370 3.55276 2.41119 -67.65568 1042.79125
3720.0000 -73.44623 -69.99266 3.45357 2.26305 -69.11757 874.82255
3725.0000 -73.21402 -69.23047 3.98355 2.21847 -69.55754 774.61066
3730.0000 -73.47939 -70.21623 3.26316 2.22166 -69.52604 827.16353
3735.0000 -72.76073 -69.69548 3.06525 2.19578 -69.78144 767.34291
3740.0000 -72.23093 -69.37860 2.85233 2.24382 -69.30741 830.72210
3745.0000 -72.65492 -68.72679 3.92813 2.21578 -69.58406 765.02783
3750.0000 -72.52149 -68.71680 3.80468 2.25444 -69.20257 850.20009
FREEZING PROCESS: loop number 16 T-loop= 812.00000000000000
main_MD> interactions number 16 at Temperature= 812.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.05907 -3.35264 2.06718
force_rgl> df(natom) -0.22736 -5.63718 -4.93640
3755.0000 -71.87516 -67.64795 4.22720 2.35477 -68.21247 882.30285
3760.0000 -72.02927 -68.38254 3.64672 2.34695 -68.28969 896.97936
3765.0000 -71.25404 -68.33640 2.91764 2.30284 -68.72491 900.75651
3770.0000 -72.09273 -69.09469 2.99804 2.28405 -68.91033 828.05688
3775.0000 -71.90973 -68.42346 3.48627 2.30065 -68.74652 868.27665
3780.0000 -71.90999 -69.16885 2.74114 2.31283 -68.62638 807.00067
3785.0000 -73.07395 -69.91982 3.15412 2.19372 -69.80180 732.31961
3790.0000 -73.00816 -70.06624 2.94192 2.21557 -69.58612 827.80586
3795.0000 -73.65973 -70.49365 3.16608 2.17942 -69.94291 790.98174
3800.0000 -70.97218 -66.86066 4.11153 2.36678 -68.09394 962.43871
3805.0000 -72.27135 -68.42331 3.84803 2.38126 -67.95104 928.48590
3810.0000 -72.54152 -69.05728 3.48424 2.28424 -68.90853 827.16328
3815.0000 -71.44079 -68.61855 2.82223 2.34099 -68.34849 924.46259
3820.0000 -71.84155 -69.11213 2.72942 2.35762 -68.18434 946.61345
3825.0000 -72.26534 -68.94643 3.31890 2.25678 -69.17943 885.40397
3830.0000 -71.45263 -68.09776 3.35487 2.30102 -68.74296 854.34014
3835.0000 -72.32194 -69.01017 3.31177 2.36152 -68.14586 957.56155
3840.0000 -72.75185 -69.12490 3.62694 2.23007 -69.44303 806.23747
3845.0000 -72.71972 -69.57287 3.14685 2.21104 -69.63087 755.55615
3850.0000 -72.88073 -69.99612 2.88461 2.20581 -69.68248 843.03401
3855.0000 -72.75497 -70.33148 2.42350 2.18245 -69.91302 833.90401
3860.0000 -72.64617 -69.83570 2.81047 2.24459 -69.29975 786.59070
3865.0000 -73.41081 -70.13381 3.27699 2.15276 -70.20600 742.22183
3870.0000 -71.48104 -67.69608 3.78496 2.30551 -68.69864 898.50139
3875.0000 -72.46397 -68.78395 3.68002 2.34602 -68.29883 882.42066
3880.0000 -72.47127 -69.70711 2.76416 2.23948 -69.35019 818.27068
3885.0000 -72.41628 -69.54482 2.87147 2.18482 -69.88960 780.97598
3890.0000 -73.00409 -69.88027 3.12382 2.22310 -69.51188 844.96023
3895.0000 -72.98286 -70.10418 2.87867 2.16658 -70.06958 731.98743
3900.0000 -72.91538 -69.59632 3.31905 2.20620 -69.67861 756.24337
3905.0000 -73.19004 -69.49752 3.69251 2.22980 -69.44577 765.01507
3910.0000 -72.13893 -68.94353 3.19540 2.26418 -69.10649 869.78286
3915.0000 -72.70294 -69.92418 2.77876 2.24703 -69.27567 808.06797
3920.0000 -72.82389 -68.42755 4.39635 2.21921 -69.55023 775.40738
3925.0000 -73.33504 -69.70157 3.63348 2.21335 -69.60810 827.83816
3930.0000 -73.87902 -69.72836 4.15066 2.20613 -69.67932 816.42309
3935.0000 -73.38368 -69.75541 3.62827 2.21635 -69.57841 831.40320
3940.0000 -72.37236 -68.79724 3.57513 2.28010 -68.94932 885.63849
3945.0000 -72.74183 -68.95070 3.79113 2.26347 -69.11345 839.65179
3950.0000 -72.20079 -68.99850 3.20229 2.31200 -68.63457 919.18806
3955.0000 -71.95529 -68.38380 3.57149 2.31685 -68.58666 905.50416
3960.0000 -71.36252 -68.15205 3.21047 2.40381 -67.72859 979.82138
3965.0000 -72.37622 -68.32601 4.05021 2.33139 -68.44323 888.25557
3970.0000 -72.42661 -69.98123 2.44539 2.28455 -68.90544 842.40189
3975.0000 -74.32347 -70.93193 3.39153 2.14953 -70.23787 704.23544
3980.0000 -73.22763 -70.51328 2.71435 2.17134 -70.02259 775.44674
3985.0000 -72.61767 -69.93131 2.68636 2.14190 -70.31314 712.77695
3990.0000 -72.52140 -69.73610 2.78530 2.18841 -69.85420 760.68977
3995.0000 -72.65108 -69.78943 2.86164 2.19793 -69.76021 748.45599
4000.0000 -72.50133 -69.42582 3.07551 2.21799 -69.56227 802.93319
FREEZING PROCESS: loop number 17 T-loop= 787.00000000000000
main_MD> interactions number 17 at Temperature= 787.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00314 -1.12206 -0.95301
force_rgl> df(natom) -1.44849 -0.57764 0.52825
4005.0000 -71.87191 -68.27956 3.59235 2.26485 -69.09988 851.59423
4010.0000 -72.14136 -67.97903 4.16233 2.39852 -67.78075 962.34716
4015.0000 -72.67528 -69.11610 3.55918 2.28955 -68.85613 833.79023
4020.0000 -72.93041 -69.97683 2.95358 2.18807 -69.85749 786.98109
4025.0000 -72.97757 -70.07319 2.90438 2.20358 -69.70447 786.20356
4030.0000 -73.14876 -70.10497 3.04379 2.17001 -70.03576 740.12274
4035.0000 -73.90041 -70.83829 3.06212 2.09466 -70.77937 697.13294
4040.0000 -74.10552 -71.16962 2.93591 2.07029 -71.01981 687.67934
4045.0000 -73.41765 -69.80856 3.60908 2.13231 -70.40782 762.04629
4050.0000 -73.54060 -69.60314 3.93747 2.20652 -69.67550 808.93660
4055.0000 -72.97609 -69.96488 3.01121 2.24488 -69.29689 843.84617
4060.0000 -72.53565 -68.95698 3.57866 2.20333 -69.70694 798.77917
4065.0000 -72.31260 -69.64385 2.66875 2.22925 -69.45119 795.85300
4070.0000 -72.48069 -69.38098 3.09971 2.23566 -69.38788 804.19611
4075.0000 -73.16414 -69.27572 3.88842 2.26232 -69.12481 844.17474
4080.0000 -72.51419 -69.60402 2.91017 2.19494 -69.78972 809.51023
4085.0000 -73.93234 -70.86537 3.06697 2.13882 -70.34355 712.34676
4090.0000 -73.14338 -69.96719 3.17620 2.13065 -70.42419 765.94885
4095.0000 -71.91661 -69.17641 2.74020 2.22067 -69.53581 793.95086
4100.0000 -72.83517 -68.75402 4.08116 2.26979 -69.05114 841.28879
4105.0000 -73.38637 -70.56649 2.81988 2.19752 -69.76425 846.89351
4110.0000 -72.22127 -70.02516 2.19611 2.11335 -70.59484 726.23301
4115.0000 -73.09516 -69.62806 3.46710 2.23321 -69.41210 805.76940
4120.0000 -72.73326 -69.14872 3.58453 2.18408 -69.89687 760.39541
4125.0000 -71.87477 -68.88449 2.99027 2.26336 -69.11455 806.89038
4130.0000 -72.98583 -69.87284 3.11298 2.24244 -69.32098 806.18213
4135.0000 -72.40915 -69.44388 2.96528 2.20652 -69.67550 751.48383
4140.0000 -72.81109 -69.57922 3.23187 2.25103 -69.23626 770.97945
4145.0000 -72.06930 -68.99909 3.07021 2.24838 -69.26241 853.10926
4150.0000 -72.84735 -69.07592 3.77143 2.26133 -69.13462 814.66674
4155.0000 -73.15364 -70.57920 2.57444 2.13662 -70.36528 752.95092
4160.0000 -73.03373 -70.46278 2.57095 2.13850 -70.34669 740.47938
4165.0000 -72.72204 -69.57210 3.14994 2.18272 -69.91029 750.00618
4170.0000 -72.89039 -69.40576 3.48463 2.24251 -69.32026 811.45871
4175.0000 -73.35488 -70.06673 3.28816 2.20769 -69.66395 783.52056
4180.0000 -72.76005 -69.03774 3.72231 2.24383 -69.30731 792.42689
4185.0000 -72.48032 -67.69392 4.78640 2.31164 -68.63809 852.93607
4190.0000 -72.60571 -69.39560 3.21011 2.31708 -68.58442 877.10377
4195.0000 -72.61443 -69.90856 2.70587 2.27176 -69.03161 814.77168
4200.0000 -73.13530 -70.47104 2.66426 2.14506 -70.28193 717.84844
4205.0000 -72.98914 -69.87323 3.11591 2.17969 -69.94026 743.54157
4210.0000 -72.99920 -69.46501 3.53419 2.16859 -70.04976 756.99777
4215.0000 -73.01612 -69.53446 3.48165 2.20552 -69.68531 763.60097
4220.0000 -72.63273 -69.59464 3.03810 2.21074 -69.63377 796.81211
4225.0000 -73.24371 -69.81307 3.43064 2.21738 -69.56828 841.68094
4230.0000 -72.33118 -69.68357 2.64760 2.20587 -69.68192 850.19500
4235.0000 -73.54803 -70.60796 2.94007 2.14143 -70.31780 714.05204
4240.0000 -73.24709 -70.40740 2.83970 2.10713 -70.65627 665.85893
4245.0000 -73.63439 -70.27396 3.36043 2.11898 -70.53934 740.51346
4250.0000 -72.34323 -69.40100 2.94223 2.16679 -70.06748 783.11358
FREEZING PROCESS: loop number 18 T-loop= 762.00000000000000
main_MD> interactions number 18 at Temperature= 762.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31247 2.32455 1.40618
force_rgl> df(natom) -1.59910 7.08660 3.98068
4255.0000 -72.61047 -70.20316 2.40731 2.21268 -69.61467 766.38623
4260.0000 -73.09530 -70.51030 2.58500 2.15069 -70.22644 709.76610
4265.0000 -72.64121 -69.49760 3.14361 2.18122 -69.92516 778.15184
4270.0000 -73.04671 -69.86673 3.17999 2.19621 -69.77724 782.92613
4275.0000 -73.50190 -70.97751 2.52440 2.12332 -70.49650 731.75436
4280.0000 -73.07528 -70.05207 3.02320 2.06429 -71.07900 680.81901
4285.0000 -73.27703 -70.03906 3.23796 2.15986 -70.13594 725.84780
4290.0000 -73.34063 -70.24220 3.09843 2.15067 -70.22660 748.17412
4295.0000 -73.13468 -70.45954 2.67514 2.15147 -70.21873 732.90461
4300.0000 -72.38411 -68.40376 3.98036 2.25716 -69.17573 817.23905
4305.0000 -73.71961 -70.78434 2.93526 2.19727 -69.76670 801.64024
4310.0000 -73.72819 -71.28746 2.44074 2.02606 -71.45625 647.33051
4315.0000 -72.97508 -69.96591 3.00917 2.11782 -70.55082 674.15875
4320.0000 -73.02677 -69.99516 3.03161 2.16103 -70.12432 771.86170
4325.0000 -73.68744 -70.94887 2.73857 2.13691 -70.36238 744.26421
4330.0000 -73.97770 -70.89445 3.08325 2.04665 -71.25312 654.17247
4335.0000 -73.87955 -70.82931 3.05024 2.05112 -71.20895 643.05476
4340.0000 -73.91807 -71.04811 2.86996 2.09505 -70.77549 716.37605
4345.0000 -73.77869 -71.16034 2.61835 2.05317 -71.18878 655.90039
4350.0000 -71.47523 -68.75388 2.72136 2.20005 -69.73932 735.56717
4355.0000 -72.56957 -68.30066 4.26891 2.32976 -68.45931 920.05136
4360.0000 -72.14265 -67.97059 4.17206 2.30435 -68.71003 866.73882
4365.0000 -72.34764 -68.63106 3.71658 2.34922 -68.26724 923.07184
4370.0000 -73.23469 -70.43938 2.79531 2.18020 -69.93523 741.39062
4375.0000 -73.05145 -70.02515 3.02631 2.14523 -70.28024 697.79046
4380.0000 -73.31943 -70.09126 3.22817 2.16572 -70.07808 729.67078
4385.0000 -73.38257 -69.96619 3.41638 2.18741 -69.86400 764.95525
4390.0000 -72.77791 -69.61062 3.16729 2.20728 -69.66796 757.07790
4395.0000 -73.12926 -70.16695 2.96230 2.15710 -70.16318 710.05943
4400.0000 -73.39616 -70.12099 3.27517 2.17952 -69.94186 734.51581
4405.0000 -72.71261 -69.37503 3.33759 2.15116 -70.22177 741.76862
4410.0000 -72.42783 -69.34956 3.07827 2.22565 -69.48669 801.22387
4415.0000 -72.72414 -69.30575 3.41840 2.21704 -69.57166 837.63249
4420.0000 -71.79182 -68.59873 3.19309 2.26311 -69.11698 824.04432
4425.0000 -73.02456 -69.95995 3.06460 2.20304 -69.70979 789.28767
4430.0000 -72.62268 -70.33032 2.29236 2.18908 -69.84760 777.28649
4435.0000 -73.55569 -70.44565 3.11004 2.16076 -70.12699 761.21438
4440.0000 -72.17381 -69.80848 2.36532 2.16897 -70.04598 771.61179
4445.0000 -72.68764 -69.73497 2.95267 2.22118 -69.53076 797.59154
4450.0000 -72.52020 -70.04322 2.47698 2.17307 -70.00559 751.81610
4455.0000 -73.52490 -70.50710 3.01780 2.13011 -70.42954 684.40962
4460.0000 -72.84742 -69.34197 3.50546 2.23312 -69.41294 828.55311
4465.0000 -72.32764 -68.75689 3.57075 2.30214 -68.73184 901.63931
4470.0000 -73.72680 -70.76122 2.96558 2.19363 -69.80261 757.56169
4475.0000 -74.03960 -70.95187 3.08774 2.04954 -71.22461 644.85937
4480.0000 -73.52465 -70.63608 2.88857 2.10604 -70.66699 742.39279
4485.0000 -72.47282 -69.44033 3.03249 2.16983 -70.03752 797.48404
4490.0000 -74.17082 -71.16645 3.00437 2.12915 -70.43894 751.66901
4495.0000 -73.51749 -70.94410 2.57339 2.05642 -71.15669 680.36672
4500.0000 -72.84589 -69.87671 2.96918 2.11041 -70.62393 688.13073
FREEZING PROCESS: loop number 19 T-loop= 737.00000000000000
main_MD> interactions number 19 at Temperature= 737.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.93307 3.81318 -2.62603
force_rgl> df(natom) 5.07222 -3.09080 -1.78208
4505.0000 -73.22245 -69.86081 3.36164 2.19595 -69.77980 781.32610
4510.0000 -73.73464 -70.37256 3.36208 2.16764 -70.05910 776.19950
4515.0000 -73.27512 -70.31046 2.96467 2.16103 -70.12435 742.17563
4520.0000 -72.78994 -69.73922 3.05072 2.16304 -70.10455 729.69432
4525.0000 -73.05395 -69.69336 3.36060 2.17243 -70.01189 750.87602
4530.0000 -73.11945 -70.25029 2.86916 2.17028 -70.03308 744.13133
4535.0000 -72.60490 -69.83424 2.77067 2.18993 -69.83917 759.83190
4540.0000 -72.18463 -69.27149 2.91315 2.19341 -69.80486 783.47571
4545.0000 -72.59599 -68.95818 3.63781 2.24579 -69.28792 829.52173
4550.0000 -72.64223 -69.26460 3.37763 2.23521 -69.39236 815.75141
4555.0000 -72.81863 -70.06064 2.75799 2.21493 -69.59245 790.93349
4560.0000 -73.57195 -70.25277 3.31918 2.16516 -70.08363 754.23234
4565.0000 -73.52416 -70.62249 2.90166 2.10438 -70.68339 743.72265
4570.0000 -73.53741 -71.03169 2.50572 2.07216 -71.00139 700.89010
4575.0000 -72.85537 -69.33667 3.51870 2.16302 -70.10475 811.06478
4580.0000 -72.18628 -69.24717 2.93911 2.23505 -69.39390 809.52553
4585.0000 -73.33571 -70.16872 3.16699 2.17433 -69.99315 762.61269
4590.0000 -71.91673 -69.18107 2.73566 2.18323 -69.90525 742.26493
4595.0000 -73.23141 -69.35903 3.87239 2.19766 -69.76285 814.22539
4600.0000 -73.90155 -71.29247 2.60908 2.16691 -70.06632 761.05789
4605.0000 -73.40040 -70.45901 2.94139 2.07903 -70.93359 663.00773
4610.0000 -73.43240 -70.95081 2.48159 2.11372 -70.59125 695.80397
4615.0000 -73.08214 -70.98763 2.09451 2.05076 -71.21254 603.46406
4620.0000 -73.40774 -70.40327 3.00446 2.12617 -70.46839 718.77241
4625.0000 -73.35503 -69.21221 4.14282 2.16682 -70.06725 760.52347
4630.0000 -72.81211 -69.60936 3.20275 2.23995 -69.34555 829.26994
4635.0000 -73.17642 -69.73010 3.44632 2.18845 -69.85376 775.26728
4640.0000 -72.82043 -69.81459 3.00584 2.17802 -69.95674 780.19178
4645.0000 -73.06828 -69.72612 3.34216 2.15174 -70.21608 742.04296
4650.0000 -73.70363 -71.25943 2.44421 2.12962 -70.43435 680.87897
4655.0000 -73.68172 -70.36025 3.32147 2.12477 -70.48218 669.10390
4660.0000 -73.45295 -70.63779 2.81516 2.15187 -70.21478 763.19487
4665.0000 -73.93424 -70.60140 3.33283 2.07979 -70.92606 685.68317
4670.0000 -73.09551 -70.25720 2.83831 2.12346 -70.49517 708.50385
4675.0000 -73.35941 -70.83601 2.52340 2.09491 -70.77681 654.92095
4680.0000 -74.41697 -72.06597 2.35100 2.05635 -71.15741 654.73800
4685.0000 -73.60810 -71.32244 2.28566 2.04069 -71.31193 628.35311
4690.0000 -73.48667 -70.01042 3.47625 2.12762 -70.45407 746.76748
4695.0000 -73.30073 -69.82522 3.47551 2.20042 -69.73565 772.03574
4700.0000 -73.15760 -69.98760 3.17000 2.21016 -69.63959 806.73327
4705.0000 -73.21910 -70.41027 2.80883 2.14730 -70.25986 726.78945
4710.0000 -72.92140 -70.78912 2.13228 2.12802 -70.45014 702.25251
4715.0000 -73.23061 -70.04415 3.18645 2.12565 -70.47353 679.54051
4720.0000 -73.12771 -70.11424 3.01347 2.21557 -69.58615 785.98731
4725.0000 -72.32137 -68.81390 3.50746 2.23540 -69.39043 823.86136
4730.0000 -72.79963 -69.47268 3.32695 2.23069 -69.43691 800.47340
4735.0000 -72.48628 -69.34795 3.13833 2.29681 -68.78443 879.44393
4740.0000 -72.84572 -68.89314 3.95259 2.26005 -69.14723 852.57573
4745.0000 -71.98989 -69.62188 2.36801 2.23414 -69.40289 846.39253
4750.0000 -72.37499 -69.77441 2.60058 2.18766 -69.86161 770.65566
FREEZING PROCESS: loop number 20 T-loop= 712.00000000000000
main_MD> interactions number 20 at Temperature= 712.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.17490 0.43141 -2.05604
force_rgl> df(natom) 0.48329 -1.33017 -0.44557
4755.0000 -73.21547 -70.37570 2.83977 2.23006 -69.44318 780.02968
4760.0000 -72.85242 -70.21571 2.63671 2.11170 -70.61119 707.76043
4765.0000 -73.78129 -70.81023 2.97106 2.16308 -70.10410 768.85250
4770.0000 -73.67582 -70.95562 2.72020 2.08883 -70.83686 684.75895
4775.0000 -73.58073 -70.91521 2.66552 2.08425 -70.88205 712.89280
4780.0000 -73.69244 -71.37990 2.31254 2.05501 -71.17059 696.56933
4785.0000 -74.36760 -70.96811 3.39949 2.06182 -71.10339 651.50304
4790.0000 -73.75867 -70.67989 3.07878 2.09123 -70.81320 733.08359
4795.0000 -73.77318 -71.49174 2.28144 2.10056 -70.72113 701.96307
4800.0000 -73.61297 -70.45576 3.15721 2.08584 -70.86637 753.98814
4805.0000 -73.25560 -70.49914 2.75646 2.11201 -70.60815 749.49024
4810.0000 -73.68973 -70.67737 3.01236 2.10107 -70.71611 733.12523
4815.0000 -73.42827 -70.93947 2.48880 2.10609 -70.66649 692.47217
4820.0000 -73.37218 -70.34756 3.02461 2.12388 -70.49097 729.67643
4825.0000 -72.72132 -69.84366 2.87766 2.15682 -70.16593 776.33040
4830.0000 -73.57936 -70.75656 2.82280 2.15656 -70.16850 739.78735
4835.0000 -74.11300 -71.13518 2.97782 2.11752 -70.55377 674.83018
4840.0000 -73.82962 -71.02822 2.80140 2.06068 -71.11462 658.93667
4845.0000 -73.64495 -71.12989 2.51507 2.03901 -71.32852 621.61713
4850.0000 -73.82363 -71.05631 2.76733 2.06139 -71.10767 668.70067
4855.0000 -73.52406 -70.22894 3.29512 2.11113 -70.61681 735.91271
4860.0000 -73.60640 -70.29916 3.30724 2.15744 -70.15983 731.51863
4865.0000 -73.00338 -70.25017 2.75321 2.14574 -70.27527 727.33180
4870.0000 -73.13928 -70.75280 2.38648 2.07863 -70.93756 679.74589
4875.0000 -72.86456 -70.13617 2.72840 2.11633 -70.56549 692.64381
4880.0000 -72.82351 -69.86784 2.95567 2.17698 -69.96694 726.33963
4885.0000 -72.91005 -69.39550 3.51455 2.18400 -69.89768 715.18826
4890.0000 -72.87778 -68.82948 4.04830 2.21970 -69.54536 855.18153
4895.0000 -73.05885 -70.27798 2.78087 2.21372 -69.60439 800.54143
4900.0000 -73.59906 -70.75846 2.84060 2.15169 -70.21657 760.98319
4905.0000 -73.71916 -70.55144 3.16772 2.13144 -70.41641 722.66818
4910.0000 -73.95795 -71.85584 2.10211 2.05358 -71.18473 655.80168
4915.0000 -74.16573 -71.19318 2.97255 2.00701 -71.64425 604.73302
4920.0000 -73.45620 -70.50217 2.95403 2.07320 -70.99115 658.48233
4925.0000 -73.32652 -70.51828 2.80824 2.13948 -70.33704 725.17149
4930.0000 -73.63591 -70.90514 2.73077 2.11017 -70.62624 640.97336
4935.0000 -73.68493 -70.80054 2.88438 2.10484 -70.67885 688.06590
4940.0000 -72.94824 -70.21739 2.73086 2.13843 -70.34735 703.86940
4945.0000 -72.73090 -69.56341 3.16749 2.17676 -69.96917 725.75611
4950.0000 -72.83370 -69.74379 3.08991 2.21529 -69.58888 769.61787
4955.0000 -73.66565 -71.27771 2.38794 2.15940 -70.14042 748.63404
4960.0000 -73.13520 -70.57338 2.56182 2.11350 -70.59339 732.28692
4965.0000 -74.20192 -71.23132 2.97060 2.08699 -70.85503 682.77164
4970.0000 -73.95048 -71.45363 2.49685 2.01611 -71.55449 615.95736
4975.0000 -73.79975 -71.40157 2.39818 2.01452 -71.57012 645.19599
4980.0000 -73.83873 -71.04629 2.79244 2.05749 -71.14611 642.65452
4985.0000 -73.85147 -70.63319 3.21828 2.09306 -70.79516 719.38370
4990.0000 -73.92551 -71.54635 2.37916 2.06259 -71.09578 677.90431
4995.0000 -73.48658 -70.75660 2.72998 2.06949 -71.02775 689.60222
5000.0000 -74.11282 -70.64537 3.46744 2.08078 -70.91626 705.76728
FREEZING PROCESS: loop number 21 T-loop= 687.00000000000000
main_MD> interactions number 21 at Temperature= 687.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04877 1.69065 0.40687
force_rgl> df(natom) 0.14593 -5.52476 6.59625
5005.0000 -73.91905 -71.35078 2.56827 2.05307 -71.18975 681.60087
5010.0000 -73.42121 -70.13729 3.28392 2.07594 -70.96407 664.23940
5015.0000 -73.25411 -69.89968 3.35443 2.19544 -69.78477 740.35124
5020.0000 -73.09795 -70.10722 2.99072 2.17759 -69.96094 782.42581
5025.0000 -73.56261 -70.42167 3.14094 2.13713 -70.36023 777.54084
5030.0000 -73.15193 -70.86227 2.28966 2.08192 -70.90503 670.37912
5035.0000 -74.74736 -72.15354 2.59382 2.00345 -71.67941 622.00055
5040.0000 -73.43355 -70.78729 2.64625 2.00710 -71.64342 626.19591
5045.0000 -73.68986 -70.44118 3.24868 2.08413 -70.88328 693.71461
5050.0000 -74.07433 -71.68325 2.39108 2.04536 -71.26581 666.34647
5055.0000 -73.69091 -71.02852 2.66239 2.02495 -71.46727 644.55011
5060.0000 -73.84896 -71.04039 2.80857 2.11098 -70.61831 739.00837
5065.0000 -73.91702 -71.27641 2.64062 2.03247 -71.39299 612.70559
5070.0000 -73.38804 -70.79105 2.59699 2.09708 -70.75544 702.82628
5075.0000 -73.46629 -71.14910 2.31720 2.08838 -70.84132 663.89281
5080.0000 -73.63545 -69.93115 3.70430 2.12397 -70.49009 726.56199
5085.0000 -72.96795 -70.60285 2.36510 2.08026 -70.92145 715.95204
5090.0000 -73.13554 -70.83691 2.29864 2.08937 -70.83151 670.70622
5095.0000 -73.45390 -70.50693 2.94698 2.08328 -70.89160 665.93335
5100.0000 -73.83662 -70.78886 3.04776 2.12440 -70.48584 711.55966
5105.0000 -73.74881 -71.16235 2.58645 2.05830 -71.13812 684.48805
5110.0000 -72.99155 -70.55524 2.43630 2.09458 -70.78015 687.48653
5115.0000 -74.17576 -71.65289 2.52287 2.07619 -70.96159 691.60903
5120.0000 -72.91791 -69.76664 3.15127 2.10687 -70.65879 691.33795
5125.0000 -73.33122 -69.80898 3.52225 2.19327 -69.80617 767.01678
5130.0000 -73.47902 -70.20198 3.27705 2.17634 -69.97332 748.78022
5135.0000 -73.59307 -70.77029 2.82277 2.10472 -70.68008 710.74281
5140.0000 -72.98917 -70.51166 2.47751 2.13743 -70.35722 741.91177
5145.0000 -72.75853 -71.19492 1.56361 2.08409 -70.88361 639.02498
5150.0000 -74.40753 -72.08822 2.31931 2.05179 -71.20239 603.24298
5155.0000 -72.71904 -70.16847 2.55057 2.02031 -71.51302 599.50449
5160.0000 -72.80969 -69.41661 3.39308 2.19032 -69.83534 727.63996
5165.0000 -72.44835 -69.28644 3.16191 2.20288 -69.71142 800.01475
5170.0000 -73.82998 -71.76426 2.06573 2.13912 -70.34056 776.94650
5175.0000 -74.20553 -71.62548 2.58006 2.00622 -71.65210 645.33423
5180.0000 -74.45399 -71.82571 2.62828 1.99922 -71.72112 639.55583
5185.0000 -74.50492 -72.15655 2.34838 1.96138 -72.09452 554.85830
5190.0000 -73.54159 -71.35318 2.18841 1.98455 -71.86591 589.10391
5195.0000 -74.37451 -71.66988 2.70463 2.00358 -71.67808 635.15577
5200.0000 -74.57622 -71.73157 2.84465 2.03363 -71.38158 667.85599
5205.0000 -73.77535 -70.85952 2.91583 2.05783 -71.14276 687.82956
5210.0000 -73.65832 -71.15162 2.50670 2.04725 -71.24717 649.53011
5215.0000 -74.09944 -71.73764 2.36179 2.00510 -71.66313 607.27237
5220.0000 -73.34867 -71.34924 1.99943 2.02330 -71.48350 631.90589
5225.0000 -73.92857 -70.83456 3.09401 2.05013 -71.21874 670.26620
5230.0000 -74.45174 -72.09928 2.35246 2.03478 -71.37027 636.00169
5235.0000 -74.21006 -71.51794 2.69211 2.04998 -71.22022 668.94924
5240.0000 -74.12752 -70.86415 3.26337 2.02197 -71.49664 656.60690
5245.0000 -73.74030 -71.32152 2.41879 2.05453 -71.17537 688.43176
5250.0000 -73.59603 -70.53903 3.05700 2.06976 -71.02503 706.64152
FREEZING PROCESS: loop number 22 T-loop= 662.00000000000000
main_MD> interactions number 22 at Temperature= 662.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18757 0.82350 1.38792
force_rgl> df(natom) -3.25622 -0.77054 1.74830
5255.0000 -73.43403 -71.01759 2.41644 2.07747 -70.94895 683.70660
5260.0000 -73.40396 -70.95004 2.45392 2.03908 -71.32782 626.85495
5265.0000 -73.69240 -71.65485 2.03754 2.01935 -71.52248 595.40661
5270.0000 -73.14129 -70.61120 2.53009 2.07374 -70.98579 663.70333
5275.0000 -72.98817 -70.32332 2.66485 2.13028 -70.42779 688.89431
5280.0000 -73.49014 -70.54431 2.94583 2.13026 -70.42804 702.60493
5285.0000 -73.94278 -71.19442 2.74836 2.06758 -71.04655 629.90596
5290.0000 -72.25531 -69.61671 2.63859 2.12251 -70.50449 676.52381
5295.0000 -73.26302 -70.61850 2.64452 2.18777 -69.86051 728.65289
5300.0000 -74.57785 -71.64303 2.93482 2.05167 -71.20359 668.91443
5305.0000 -73.99961 -70.83536 3.16425 2.04258 -71.29322 694.75199
5310.0000 -73.79208 -71.60130 2.19078 2.03607 -71.35746 661.79372
5315.0000 -74.26510 -72.38394 1.88116 1.97912 -71.91951 600.89593
5320.0000 -74.22801 -71.93550 2.29252 1.99506 -71.76216 600.87734
5325.0000 -74.32282 -71.23487 3.08795 2.01200 -71.59506 614.42801
5330.0000 -74.28655 -71.51340 2.77316 2.06961 -71.02654 686.56580
5335.0000 -74.65287 -72.38840 2.26447 1.97276 -71.98223 616.73031
5340.0000 -73.12744 -69.79806 3.32937 1.99344 -71.77819 614.91283
5345.0000 -74.27044 -71.65188 2.61855 2.10311 -70.69591 720.46048
5350.0000 -73.55041 -71.04108 2.50933 2.02681 -71.44886 634.15883
5355.0000 -73.38057 -71.66935 1.71122 2.08803 -70.84475 641.89653
5360.0000 -73.36428 -70.80279 2.56150 2.04305 -71.28859 598.62683
5365.0000 -73.91873 -72.02526 1.89348 2.00017 -71.71179 553.75994
5370.0000 -73.68009 -71.26032 2.41977 2.02582 -71.45865 637.43523
5375.0000 -74.53010 -72.45892 2.07119 2.00223 -71.69148 630.20409
5380.0000 -74.64639 -72.44600 2.20039 1.96260 -72.08256 578.30588
5385.0000 -74.66100 -72.40877 2.25223 1.92343 -72.46904 534.80124
5390.0000 -74.21559 -72.22994 1.98565 1.95954 -72.11270 567.93925
5395.0000 -74.33033 -72.42908 1.90125 1.94694 -72.23702 527.24229
5400.0000 -74.05015 -71.41173 2.63843 2.00560 -71.65816 592.38293
5405.0000 -73.96824 -71.97814 1.99010 2.00392 -71.67478 572.19940
5410.0000 -73.70083 -71.14427 2.55656 1.97574 -71.95287 555.04376
5415.0000 -74.52008 -71.73048 2.78960 2.00010 -71.71251 612.53221
5420.0000 -74.88882 -72.98177 1.90704 1.92548 -72.44886 545.35388
5425.0000 -74.47323 -72.08500 2.38822 1.91554 -72.54691 538.15749
5430.0000 -73.97764 -70.98652 2.99113 2.04189 -71.30008 643.38576
5435.0000 -73.26925 -70.88383 2.38542 2.09817 -70.74468 670.99362
5440.0000 -74.29618 -71.30940 2.98678 2.09882 -70.73832 728.67457
5445.0000 -73.61259 -71.23306 2.37953 2.02605 -71.45636 664.98643
5450.0000 -74.27540 -71.75284 2.52256 2.02061 -71.51003 635.81451
5455.0000 -73.41297 -71.04057 2.37240 2.00971 -71.61764 610.29662
5460.0000 -74.30325 -71.03572 3.26753 2.04731 -71.24656 665.88268
5465.0000 -74.12359 -71.30157 2.82203 2.06131 -71.10841 633.94999
5470.0000 -73.96448 -70.88971 3.07477 2.08030 -70.92104 730.96548
5475.0000 -73.83617 -70.66328 3.17289 2.12136 -70.51583 711.11560
5480.0000 -73.87696 -71.30890 2.56806 2.07373 -70.98589 643.97971
5485.0000 -73.56007 -71.27839 2.28168 2.03148 -71.40285 640.82430
5490.0000 -73.31725 -70.41985 2.89740 2.07876 -70.93624 692.97582
5495.0000 -74.08091 -71.45973 2.62118 2.07641 -70.95942 707.66382
5500.0000 -73.48266 -71.16051 2.32215 2.02997 -71.41773 623.14107
FREEZING PROCESS: loop number 23 T-loop= 637.00000000000000
main_MD> interactions number 23 at Temperature= 637.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.21007 -0.98217 -0.57564
force_rgl> df(natom) -0.25624 -1.47677 2.79328
5505.0000 -74.25713 -72.12732 2.12981 2.00209 -71.69283 638.09767
5510.0000 -74.35376 -72.35718 1.99659 1.95728 -72.13504 553.50582
5515.0000 -74.25005 -71.88771 2.36233 1.95384 -72.16902 555.09295
5520.0000 -74.40001 -72.28660 2.11342 1.94687 -72.23777 569.41899
5525.0000 -74.14901 -71.77256 2.37645 1.97990 -71.91185 579.60093
5530.0000 -74.79749 -72.82758 1.96991 1.96643 -72.04469 586.25949
5535.0000 -74.46146 -72.12780 2.33366 1.90796 -72.62175 507.96015
5540.0000 -73.53376 -70.77277 2.76100 2.01490 -71.56642 625.51752
5545.0000 -73.44180 -70.26253 3.17927 2.11539 -70.57477 701.59826
5550.0000 -73.98224 -70.93482 3.04742 2.10591 -70.66827 723.43043
5555.0000 -73.48732 -70.40157 3.08574 2.12337 -70.49599 711.32574
5560.0000 -73.38212 -71.34572 2.03640 2.14928 -70.24029 711.56664
5565.0000 -73.90135 -71.93091 1.97044 1.98820 -71.82987 590.06511
5570.0000 -74.05323 -71.59981 2.45342 1.97492 -71.96093 582.62488
5575.0000 -74.03512 -71.13668 2.89844 2.01824 -71.53350 624.99110
5580.0000 -73.99078 -71.50204 2.48875 2.04445 -71.27482 654.63148
5585.0000 -73.85607 -71.34263 2.51343 2.03273 -71.39043 638.11903
5590.0000 -73.88476 -71.55354 2.33122 2.01835 -71.53236 584.41978
5595.0000 -74.29070 -71.34812 2.94258 2.05196 -71.20072 636.54464
5600.0000 -73.88823 -71.08818 2.80005 2.03827 -71.33581 662.72050
5605.0000 -73.78231 -70.65721 3.12509 2.09673 -70.75888 733.04987
5610.0000 -72.48287 -69.89668 2.58619 2.12147 -70.51473 736.48016
5615.0000 -73.75873 -71.64083 2.11789 2.07790 -70.94472 674.56943
5620.0000 -73.98823 -71.47489 2.51334 1.98861 -71.82587 587.60591
5625.0000 -74.12147 -71.29625 2.82523 2.04973 -71.22271 646.82579
5630.0000 -73.66849 -70.72425 2.94423 2.06885 -71.03406 650.90140
5635.0000 -73.43674 -70.46710 2.96964 2.07552 -70.96820 663.29598
5640.0000 -73.99308 -71.61704 2.37604 2.03263 -71.39145 645.80570
5645.0000 -74.94752 -72.40571 2.54181 1.95599 -72.14779 580.03582
5650.0000 -74.16362 -71.73650 2.42712 1.94919 -72.21487 562.90485
5655.0000 -74.23599 -71.83084 2.40515 2.00430 -71.67100 629.90874
5660.0000 -73.68640 -70.66539 3.02101 2.05003 -71.21974 695.02633
5665.0000 -74.79630 -71.96995 2.82635 2.04902 -71.22971 654.06841
5670.0000 -73.58866 -71.40940 2.17926 1.98434 -71.86799 557.00912
5675.0000 -73.76432 -70.98806 2.77627 2.00455 -71.66855 560.94337
5680.0000 -73.72390 -70.13016 3.59374 2.15418 -70.19192 721.29387
5685.0000 -73.15899 -70.82781 2.33118 2.12182 -70.51127 684.92566
5690.0000 -73.31984 -71.07860 2.24124 2.12270 -70.50264 687.14464
5695.0000 -73.53330 -71.21342 2.31988 2.08364 -70.88803 688.91414
5700.0000 -73.85936 -70.86364 2.99572 2.06255 -71.09615 668.76066
5705.0000 -74.57366 -72.02922 2.54444 2.05615 -71.15934 706.89940
5710.0000 -74.76799 -72.84361 1.92438 1.91879 -72.51481 554.91958
5715.0000 -74.34656 -71.75800 2.58855 1.93301 -72.37453 546.83706
5720.0000 -73.81523 -71.12401 2.69122 2.00451 -71.66899 605.46334
5725.0000 -74.97593 -71.97316 3.00278 2.00688 -71.64556 648.44390
5730.0000 -74.82878 -72.13928 2.68949 1.98157 -71.89535 635.64023
5735.0000 -74.40780 -72.07388 2.33392 1.92792 -72.42480 534.37704
5740.0000 -74.91265 -72.48058 2.43207 1.94229 -72.28297 570.64843
5745.0000 -74.26244 -71.84107 2.42137 1.95810 -72.12690 587.27709
5750.0000 -74.14157 -71.85194 2.28963 1.98772 -71.83466 586.46872
FREEZING PROCESS: loop number 24 T-loop= 612.00000000000000
main_MD> interactions number 24 at Temperature= 612.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36341 2.45789 3.28307
force_rgl> df(natom) -0.41265 -0.80635 -0.80821
5755.0000 -74.54096 -71.90387 2.63708 1.97157 -71.99401 566.25556
5760.0000 -73.57777 -71.35143 2.22634 2.00602 -71.65406 577.74798
5765.0000 -73.44621 -71.47344 1.97277 2.01498 -71.56562 647.07474
5770.0000 -73.80298 -71.04317 2.75981 2.05514 -71.16929 657.07234
5775.0000 -73.82926 -71.54624 2.28303 2.07284 -70.99463 643.73630
5780.0000 -74.11853 -71.48400 2.63453 2.05200 -71.20029 647.52776
5785.0000 -73.58718 -71.23034 2.35684 2.01115 -71.60345 629.42344
5790.0000 -74.30688 -71.66050 2.64639 2.03110 -71.40652 668.64816
5795.0000 -73.92327 -72.03874 1.88454 1.95090 -72.19803 575.44588
5800.0000 -75.05180 -71.95467 3.09713 1.99841 -71.72915 617.68645
5805.0000 -74.66043 -71.76885 2.89158 2.01791 -71.53671 635.07242
5810.0000 -74.53722 -72.37341 2.16381 1.96296 -72.07894 583.74599
5815.0000 -74.37356 -72.46514 1.90843 1.94113 -72.29438 568.73186
5820.0000 -74.04616 -72.05603 1.99013 1.98122 -71.89874 613.06000
5825.0000 -74.47336 -72.11638 2.35699 1.93378 -72.36695 550.49617
5830.0000 -74.25850 -71.78577 2.47273 1.98958 -71.81633 597.32643
5835.0000 -74.13904 -71.41248 2.72656 2.02219 -71.49445 648.79780
5840.0000 -74.13352 -71.77651 2.35701 2.04731 -71.24659 644.60527
5845.0000 -74.36055 -72.61489 1.74566 1.95463 -72.16121 591.57344
5850.0000 -73.94479 -70.92427 3.02053 1.94138 -72.29191 566.40770
5855.0000 -74.34649 -71.93723 2.40926 1.99274 -71.78506 608.38627
5860.0000 -74.13804 -71.21120 2.92684 2.02461 -71.47060 660.69072
5865.0000 -74.21976 -72.21802 2.00174 1.99324 -71.78012 616.74815
5870.0000 -74.40800 -72.14347 2.26452 1.95946 -72.11350 578.19856
5875.0000 -74.41577 -71.75299 2.66278 1.95881 -72.11993 590.13137
5880.0000 -74.36331 -71.73886 2.62445 1.99548 -71.75803 622.86240
5885.0000 -74.11667 -72.16578 1.95089 1.97145 -71.99517 584.38553
5890.0000 -74.42078 -71.96244 2.45835 1.96999 -72.00960 573.75115
5895.0000 -74.15215 -72.08249 2.06966 1.97294 -71.98047 559.45216
5900.0000 -73.35749 -71.15447 2.20302 2.05584 -71.16240 656.19454
5905.0000 -74.68784 -71.81121 2.87663 1.99232 -71.78928 621.70537
5910.0000 -74.42935 -71.96613 2.46322 1.94364 -72.26965 571.77622
5915.0000 -74.61387 -72.33756 2.27631 1.96279 -72.08065 576.08507
5920.0000 -73.91184 -71.56182 2.35002 1.98532 -71.85835 592.76184
5925.0000 -74.24905 -72.10752 2.14153 1.93245 -72.38006 540.40587
5930.0000 -74.37539 -71.89942 2.47597 1.97939 -71.91682 593.84281
5935.0000 -75.26395 -72.83604 2.42792 1.94965 -72.21032 585.30850
5940.0000 -74.24729 -72.25484 1.99245 1.94367 -72.26933 568.03653
5945.0000 -74.84573 -72.19313 2.65260 1.93496 -72.35525 554.59998
5950.0000 -74.04577 -71.66194 2.38382 1.96715 -72.03767 584.13966
5955.0000 -73.62217 -71.11219 2.50998 2.05634 -71.15744 711.07101
5960.0000 -73.40280 -70.60642 2.79638 2.13636 -70.36781 738.72077
5965.0000 -74.59621 -72.19898 2.39723 1.99423 -71.77040 605.65093
5970.0000 -73.98958 -71.91802 2.07155 2.00049 -71.70865 581.60432
5975.0000 -73.80127 -71.35054 2.45073 2.00030 -71.71054 613.06673
5980.0000 -73.95144 -72.10701 1.84443 2.01094 -71.60546 628.37769
5985.0000 -74.30959 -71.81723 2.49235 1.97032 -72.00638 529.45247
5990.0000 -74.28611 -71.57883 2.70728 1.99365 -71.77616 592.03710
5995.0000 -74.07545 -71.56670 2.50875 1.99015 -71.81062 591.27039
6000.0000 -73.96191 -71.12834 2.83356 2.07415 -70.98177 656.42840
FREEZING PROCESS: loop number 25 T-loop= 587.00000000000000
main_MD> interactions number 25 at Temperature= 587.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.85945 -9.32027 -3.05775
force_rgl> df(natom) -1.86954 0.27303 2.25435
6005.0000 -73.83942 -72.19813 1.64129 1.96900 -72.01935 569.28483
6010.0000 -74.93793 -71.37941 3.55851 1.96207 -72.08779 585.61396
6015.0000 -73.98162 -71.73943 2.24219 2.01742 -71.54157 626.04302
6020.0000 -74.46918 -71.43024 3.03894 2.00646 -71.64974 640.52263
6025.0000 -74.23810 -71.81428 2.42381 2.00127 -71.70096 637.19608
6030.0000 -74.07011 -71.89346 2.17664 1.97223 -71.98748 582.99427
6035.0000 -73.25654 -71.05974 2.19680 2.00939 -71.62078 622.03159
6040.0000 -73.73899 -70.87580 2.86320 2.05626 -71.15830 695.35497
6045.0000 -73.86764 -71.36462 2.50302 2.04693 -71.25031 659.51498
6050.0000 -74.65758 -72.51780 2.13978 1.94821 -72.22449 563.60994
6055.0000 -74.36561 -72.10335 2.26227 1.89364 -72.76308 498.60505
6060.0000 -74.37300 -72.33512 2.03788 1.93187 -72.38578 551.29570
6065.0000 -74.25808 -71.88731 2.37077 1.96076 -72.10065 574.19125
6070.0000 -73.18424 -71.11958 2.06466 2.02942 -71.42312 623.22187
6075.0000 -74.28507 -72.31371 1.97136 2.02411 -71.47556 635.11389
6080.0000 -73.85481 -71.50017 2.35464 1.99928 -71.72060 627.52688
6085.0000 -74.40328 -72.05752 2.34576 1.96641 -72.04493 532.17199
6090.0000 -74.19016 -71.71167 2.47848 2.00926 -71.62212 590.08845
6095.0000 -74.45343 -71.62105 2.83239 2.00910 -71.62369 596.57897
6100.0000 -74.63956 -71.79211 2.84745 1.98958 -71.81625 598.07929
6105.0000 -73.46808 -71.19212 2.27596 2.04614 -71.25813 674.52142
6110.0000 -73.80271 -71.29594 2.50677 2.08582 -70.86660 676.07724
6115.0000 -73.79276 -71.06269 2.73007 2.07442 -70.97909 688.69447
6120.0000 -74.05533 -71.11358 2.94175 2.01850 -71.53085 632.97110
6125.0000 -74.26863 -72.11695 2.15168 1.98560 -71.85554 606.77263
6130.0000 -73.80277 -71.74368 2.05910 1.98607 -71.85095 607.38485
6135.0000 -74.94896 -71.87475 3.07421 1.99592 -71.75369 595.25310
6140.0000 -73.38167 -71.39388 1.98779 2.00908 -71.62381 613.86047
6145.0000 -74.89103 -72.64549 2.24554 1.98648 -71.84686 597.92788
6150.0000 -74.40549 -72.61180 1.79369 1.92183 -72.48485 538.46621
6155.0000 -74.58604 -72.25504 2.33100 1.91470 -72.55524 536.93935
6160.0000 -73.85219 -71.22397 2.62822 1.98511 -71.86038 623.45209
6165.0000 -74.55372 -71.90115 2.65257 1.99354 -71.77718 634.60990
6170.0000 -74.09400 -71.48299 2.61102 1.98422 -71.86920 609.02420
6175.0000 -74.43842 -72.41754 2.02087 1.98242 -71.88695 604.58288
6180.0000 -74.45870 -72.00641 2.45229 1.92144 -72.48866 544.34440
6185.0000 -73.59387 -71.24040 2.35346 2.03078 -71.40974 675.02612
6190.0000 -74.83227 -72.63910 2.19317 1.98501 -71.86140 579.43493
6195.0000 -74.68772 -72.74849 1.93924 1.89633 -72.73652 488.20888
6200.0000 -74.21261 -71.72316 2.48945 1.95011 -72.20576 585.58600
6205.0000 -75.00451 -72.52132 2.48318 1.94138 -72.29194 597.29364
6210.0000 -74.56703 -72.72967 1.83736 1.92167 -72.48646 524.67737
6215.0000 -73.97285 -71.27666 2.69620 1.99028 -71.80939 575.91521
6220.0000 -73.73466 -72.04508 1.68958 2.02382 -71.47844 607.85605
6225.0000 -73.83053 -70.98066 2.84987 2.04593 -71.26020 639.85615
6230.0000 -74.12576 -71.27759 2.84817 2.03698 -71.34849 623.16939
6235.0000 -74.10807 -71.81190 2.29618 2.01273 -71.58787 631.99971
6240.0000 -74.71268 -72.00185 2.71083 1.96996 -72.00986 571.01167
6245.0000 -73.71606 -71.57476 2.14131 1.99005 -71.81165 613.00346
6250.0000 -73.83746 -71.54999 2.28747 2.01577 -71.55787 589.60420
FREEZING PROCESS: loop number 26 T-loop= 562.00000000000000
main_MD> interactions number 26 at Temperature= 562.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33179 1.10564 0.19916
force_rgl> df(natom) 0.43044 -5.86765 -1.73141
6255.0000 -73.88358 -71.86198 2.02160 1.98100 -71.90098 563.71945
6260.0000 -74.26506 -72.17748 2.08758 1.97683 -71.94209 588.34435
6265.0000 -75.12532 -73.22754 1.89778 1.89851 -72.71494 517.71727
6270.0000 -74.68926 -72.43029 2.25898 1.88963 -72.80263 481.61159
6275.0000 -74.11384 -71.78637 2.32748 1.95678 -72.13993 553.38775
6280.0000 -74.51784 -71.89173 2.62611 2.00952 -71.61953 607.60223
6285.0000 -73.85837 -71.45894 2.39943 1.96964 -72.01309 556.89450
6290.0000 -74.58999 -72.33821 2.25178 1.99133 -71.79899 582.32598
6295.0000 -74.26976 -71.49370 2.77605 1.98690 -71.84272 604.94151
6300.0000 -74.44744 -72.40790 2.03953 1.92374 -72.46600 557.11970
6305.0000 -74.36821 -72.11321 2.25499 1.94855 -72.22122 551.88411
6310.0000 -73.78565 -71.65212 2.13353 2.01141 -71.60089 624.49759
6315.0000 -74.34448 -72.07883 2.26565 1.95911 -72.11701 567.55317
6320.0000 -74.11084 -72.05944 2.05139 2.00296 -71.68429 626.43727
6325.0000 -74.27029 -72.17236 2.09793 1.93633 -72.34172 523.72922
6330.0000 -73.89651 -71.92255 1.97396 1.97719 -71.93857 589.30682
6335.0000 -75.30038 -73.28132 2.01906 1.89789 -72.72106 535.94155
6340.0000 -75.14497 -72.58572 2.55925 1.91848 -72.51795 553.49648
6345.0000 -74.37017 -72.41130 1.95887 1.94478 -72.25836 570.97106
6350.0000 -74.55792 -72.89128 1.66663 1.93949 -72.31058 524.12364
6355.0000 -74.58653 -72.01379 2.57274 1.93172 -72.38723 538.34335
6360.0000 -73.68689 -71.07470 2.61219 2.03826 -71.33592 659.57161
6365.0000 -72.99954 -70.48136 2.51818 2.09468 -70.77916 719.84426
6370.0000 -74.16099 -71.37698 2.78401 2.03589 -71.35930 628.21496
6375.0000 -74.00011 -70.70042 3.29969 2.07592 -70.96424 696.99021
6380.0000 -74.12765 -71.51517 2.61248 2.03506 -71.36749 622.25761
6385.0000 -74.17871 -72.34551 1.83320 1.97547 -71.95552 544.31129
6390.0000 -73.83563 -71.37733 2.45831 1.96520 -72.05686 530.65252
6395.0000 -75.06980 -73.06030 2.00950 1.95302 -72.17704 542.55699
6400.0000 -74.59894 -72.37375 2.22520 1.90522 -72.64875 528.18097
6405.0000 -74.70975 -72.79746 1.91229 1.89805 -72.71948 534.54077
6410.0000 -74.20437 -72.60021 1.60415 1.93632 -72.34192 538.14804
6415.0000 -73.89494 -71.70006 2.19487 1.96323 -72.07635 563.24220
6420.0000 -74.61183 -72.59361 2.01822 1.93012 -72.40301 543.72706
6425.0000 -74.47963 -72.36868 2.11096 1.95980 -72.11014 596.31590
6430.0000 -74.21082 -72.14964 2.06119 1.95804 -72.12754 589.25610
6435.0000 -74.82992 -72.48945 2.34047 1.96408 -72.06792 599.61866
6440.0000 -74.56720 -72.68696 1.88023 1.91734 -72.52916 536.85443
6445.0000 -74.91594 -72.42104 2.49490 1.93909 -72.31453 576.81289
6450.0000 -74.42446 -71.82193 2.60253 1.94943 -72.21253 566.26327
6455.0000 -74.93804 -72.99321 1.94483 1.91609 -72.54147 513.15846
6460.0000 -74.44056 -72.40244 2.03812 1.90029 -72.69738 511.08849
6465.0000 -73.90473 -71.46158 2.44315 1.97687 -71.94168 566.30415
6470.0000 -74.70832 -72.51995 2.18837 1.94158 -72.29000 560.03941
6475.0000 -74.94128 -72.78143 2.15985 1.90109 -72.68953 539.11779
6480.0000 -74.59056 -72.95514 1.63542 1.90409 -72.65996 525.26232
6485.0000 -74.65561 -72.54609 2.10952 1.90719 -72.62930 542.94960
6490.0000 -74.96880 -73.04288 1.92592 1.90705 -72.63066 512.50180
6495.0000 -74.17749 -71.80726 2.37023 1.94945 -72.21232 517.64505
6500.0000 -74.20922 -71.84475 2.36446 1.96512 -72.05768 554.06767
FREEZING PROCESS: loop number 27 T-loop= 537.00000000000000
main_MD> interactions number 27 at Temperature= 537.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14163 -0.96173 2.30009
force_rgl> df(natom) -0.23508 1.37238 0.08246
6505.0000 -73.85406 -71.27046 2.58361 2.04641 -71.25542 638.82529
6510.0000 -73.93185 -71.41327 2.51858 2.05699 -71.15107 679.66501
6515.0000 -74.16606 -71.83873 2.32733 1.98868 -71.82512 613.31179
6520.0000 -73.49925 -71.11316 2.38609 2.01984 -71.51768 676.58089
6525.0000 -74.82010 -71.81657 3.00354 1.98746 -71.83720 600.49700
6530.0000 -74.62231 -72.39526 2.22705 1.96756 -72.03358 592.32025
6535.0000 -74.60602 -72.35190 2.25412 1.92196 -72.48359 555.55720
6540.0000 -74.54530 -72.32135 2.22395 1.91194 -72.58249 531.41255
6545.0000 -75.34843 -72.30729 3.04114 1.92447 -72.45885 544.81410
6550.0000 -74.15981 -71.52180 2.63801 1.96723 -72.03684 581.54763
6555.0000 -73.84079 -71.44300 2.39779 2.03612 -71.35702 641.95855
6560.0000 -74.70954 -72.70010 2.00944 1.94976 -72.20927 560.12999
6565.0000 -74.24241 -72.16249 2.07992 1.93953 -72.31023 533.94280
6570.0000 -74.68298 -72.29052 2.39246 1.93849 -72.32046 508.62355
6575.0000 -74.68627 -73.10999 1.57627 1.91289 -72.57306 528.43465
6580.0000 -75.03021 -73.10244 1.92777 1.85607 -73.13383 473.15560
6585.0000 -75.04879 -73.31349 1.73530 1.85634 -73.13114 464.47968
6590.0000 -74.99423 -73.10106 1.89317 1.83394 -73.35221 463.59766
6595.0000 -74.15291 -72.28384 1.86907 1.90170 -72.68352 504.05257
6600.0000 -74.57174 -71.79155 2.78019 2.01972 -71.51888 628.38725
6605.0000 -74.67189 -72.56109 2.11080 1.94458 -72.26032 538.04092
6610.0000 -74.85575 -72.88498 1.97076 1.91438 -72.55834 519.07489
6615.0000 -73.83633 -72.30055 1.53578 1.92547 -72.44896 555.22692
6620.0000 -74.20773 -72.25244 1.95529 1.91381 -72.56402 508.13918
6625.0000 -74.33209 -72.39699 1.93510 1.94575 -72.24878 541.45515
6630.0000 -73.71671 -71.58857 2.12813 1.94218 -72.28408 533.51245
6635.0000 -74.83159 -72.06276 2.76883 1.97374 -71.97261 570.21433
6640.0000 -74.91174 -72.34118 2.57057 1.94397 -72.26638 570.77535
6645.0000 -74.96929 -73.19975 1.76954 1.86999 -72.99641 504.71852
6650.0000 -75.05033 -73.25362 1.79671 1.86312 -73.06421 501.60027
6655.0000 -74.80875 -73.27033 1.53842 1.86251 -73.07028 490.47275
6660.0000 -74.78605 -72.60820 2.17785 1.86373 -73.05822 481.52354
6665.0000 -74.74360 -73.00113 1.74247 1.89771 -72.72284 505.32028
6670.0000 -74.24790 -72.03187 2.21602 1.94965 -72.21036 580.56513
6675.0000 -73.89138 -71.58004 2.31134 1.98815 -71.83036 636.57878
6680.0000 -74.79786 -72.24236 2.55550 1.96006 -72.10763 584.32704
6685.0000 -74.91511 -72.25045 2.66466 1.97834 -71.92717 592.09249
6690.0000 -74.85855 -72.23960 2.61895 1.94751 -72.23147 576.21379
6695.0000 -74.85469 -72.68315 2.17154 1.91583 -72.54405 544.67990
6700.0000 -74.13671 -71.68785 2.44886 1.92931 -72.41108 539.50921
6705.0000 -74.72443 -72.93884 1.78558 1.90743 -72.62697 527.86921
6710.0000 -75.15593 -72.49136 2.66457 1.89014 -72.79753 505.90495
6715.0000 -75.15001 -72.79130 2.35872 1.88588 -72.83959 479.76641
6720.0000 -74.61088 -72.55448 2.05640 1.89956 -72.70460 492.60724
6725.0000 -74.60955 -72.79598 1.81357 1.90559 -72.64513 509.82051
6730.0000 -75.23502 -72.66953 2.56549 1.88816 -72.81712 498.41143
6735.0000 -74.69329 -72.54604 2.14725 1.92162 -72.48692 529.37528
6740.0000 -74.66963 -72.54977 2.11987 1.91874 -72.51530 528.56863
6745.0000 -74.58817 -72.79459 1.79358 1.88852 -72.81356 511.55988
6750.0000 -74.56980 -72.24784 2.32196 1.91393 -72.56279 532.39062
FREEZING PROCESS: loop number 28 T-loop= 512.00000000000000
main_MD> interactions number 28 at Temperature= 512.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96377 -0.54805 0.75645
force_rgl> df(natom) 0.99656 -0.82533 0.39884
6755.0000 -75.04776 -72.78722 2.26054 1.90233 -72.67733 520.18633
6760.0000 -74.89307 -72.91600 1.97707 1.87352 -72.96159 506.63487
6765.0000 -74.87431 -73.05492 1.81939 1.86560 -73.03976 494.23368
6770.0000 -75.13409 -72.86059 2.27350 1.88936 -72.80531 506.22946
6775.0000 -74.71862 -72.38008 2.33854 1.89080 -72.79106 513.47158
6780.0000 -74.80144 -72.89060 1.91084 1.90592 -72.64183 530.56388
6785.0000 -74.20254 -72.36544 1.83710 1.92417 -72.46174 536.78267
6790.0000 -74.80672 -72.75811 2.04861 1.89639 -72.73587 508.94504
6795.0000 -74.91335 -72.96197 1.95138 1.88112 -72.88661 490.47221
6800.0000 -75.02106 -72.89864 2.12243 1.87430 -72.95392 488.19894
6805.0000 -75.42770 -73.01499 2.41272 1.83027 -73.38841 450.71279
6810.0000 -74.75323 -72.85189 1.90133 1.85719 -73.12275 492.53774
6815.0000 -75.11982 -73.47640 1.64342 1.87023 -72.99406 484.89307
6820.0000 -74.80345 -73.34596 1.45749 1.83011 -73.38998 467.24319
6825.0000 -75.05340 -72.85231 2.20109 1.83532 -73.33852 443.90799
6830.0000 -74.42433 -72.47791 1.94642 1.87292 -72.96754 499.03688
6835.0000 -74.30619 -72.39482 1.91137 1.90295 -72.67116 521.19868
6840.0000 -75.47648 -73.37878 2.09770 1.90683 -72.63285 521.88190
6845.0000 -74.81289 -73.15369 1.65920 1.86537 -73.04204 463.80543
6850.0000 -75.15646 -72.71752 2.43894 1.88990 -72.79993 518.87219
6855.0000 -74.63259 -72.35436 2.27823 1.92740 -72.42992 554.47321
6860.0000 -75.07581 -72.29197 2.78384 1.94917 -72.21507 575.25870
6865.0000 -74.65369 -72.58620 2.06749 1.91698 -72.53276 529.53113
6870.0000 -74.90427 -72.66532 2.23895 1.91305 -72.57146 493.47172
6875.0000 -74.49609 -72.16305 2.33304 1.92093 -72.49375 510.09907
6880.0000 -74.48953 -72.27017 2.21936 1.96067 -72.10160 576.28374
6885.0000 -74.30233 -72.15814 2.14419 1.92459 -72.45759 531.43624
6890.0000 -75.32594 -72.90448 2.42146 1.91047 -72.59692 557.10344
6895.0000 -73.82860 -71.51104 2.31756 1.94868 -72.21991 596.64835
6900.0000 -74.29691 -71.95697 2.33994 1.94115 -72.29416 542.92954
6905.0000 -74.32780 -72.25863 2.06917 1.96008 -72.10742 606.81495
6910.0000 -74.94386 -73.02861 1.91525 1.90315 -72.66916 528.01762
6915.0000 -74.32940 -72.02414 2.30526 1.93387 -72.36601 552.64760
6920.0000 -74.19143 -72.02321 2.16822 1.93139 -72.39049 509.98667
6925.0000 -74.81184 -72.50904 2.30280 1.94615 -72.24483 540.27803
6930.0000 -75.09871 -72.68207 2.41664 1.88810 -72.81776 500.54490
6935.0000 -74.33538 -71.93991 2.39547 1.91269 -72.57508 513.74184
6940.0000 -75.10835 -72.91774 2.19061 1.92178 -72.48534 555.60631
6945.0000 -73.79355 -72.44446 1.34909 1.89168 -72.78237 491.12950
6950.0000 -74.70464 -73.23857 1.46607 1.88986 -72.80030 479.04141
6955.0000 -74.98576 -72.46772 2.51804 1.88760 -72.82264 511.80275
6960.0000 -74.87975 -72.51221 2.36754 1.94211 -72.28475 564.35060
6965.0000 -74.74332 -72.64880 2.09453 1.90246 -72.67598 539.32093
6970.0000 -75.03344 -72.50706 2.52638 1.91758 -72.52675 535.35031
6975.0000 -75.16278 -73.16951 1.99327 1.89302 -72.76921 534.49354
6980.0000 -75.21328 -73.48223 1.73104 1.82670 -73.42359 452.39458
6985.0000 -75.22464 -73.58488 1.63976 1.81520 -73.53711 439.78428
6990.0000 -75.13614 -72.57044 2.56569 1.90990 -72.60258 553.77681
6995.0000 -74.81237 -72.93089 1.88149 1.88860 -72.81281 489.84228
7000.0000 -74.25457 -72.60491 1.64965 1.89575 -72.74225 503.59194
FREEZING PROCESS: loop number 29 T-loop= 487.00000000000000
main_MD> interactions number 29 at Temperature= 487.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76592 0.32492 -1.45502
force_rgl> df(natom) 2.32389 -1.54613 -0.34331
7005.0000 -74.52280 -71.93540 2.58739 1.95136 -72.19342 565.50958
7010.0000 -74.32993 -72.50426 1.82567 1.94739 -72.23263 577.25156
7015.0000 -75.09522 -72.97884 2.11638 1.90927 -72.60883 533.97030
7020.0000 -75.07259 -73.37785 1.69474 1.86163 -73.07895 499.72830
7025.0000 -74.97922 -73.24865 1.73057 1.83578 -73.33398 447.18909
7030.0000 -75.17595 -73.13395 2.04200 1.83721 -73.31995 463.17053
7035.0000 -74.59383 -72.39804 2.19579 1.90945 -72.60705 533.52501
7040.0000 -73.99565 -72.43906 1.55659 1.90802 -72.62111 487.53673
7045.0000 -74.75861 -72.10062 2.65799 1.94872 -72.21954 556.58151
7050.0000 -74.98002 -72.96728 2.01274 1.91454 -72.55680 547.92848
7055.0000 -74.01790 -72.15428 1.86362 1.90417 -72.65912 503.52919
7060.0000 -75.01745 -73.16845 1.84900 1.88456 -72.85265 464.03012
7065.0000 -74.58694 -72.74522 1.84172 1.89034 -72.79558 480.03483
7070.0000 -75.09300 -73.24839 1.84461 1.90173 -72.68321 516.10563
7075.0000 -74.74664 -72.80172 1.94492 1.87759 -72.92143 472.92714
7080.0000 -75.29095 -73.05654 2.23441 1.89346 -72.76483 470.66440
7085.0000 -74.09368 -71.82104 2.27264 1.93250 -72.37960 554.06206
7090.0000 -74.65231 -72.75151 1.90080 1.90842 -72.61724 527.19611
7095.0000 -74.77867 -73.12103 1.65764 1.86935 -73.00274 490.08502
7100.0000 -75.26110 -73.44405 1.81705 1.84321 -73.26070 461.34150
7105.0000 -74.64775 -72.78522 1.86252 1.88440 -72.85423 475.77263
7110.0000 -74.77435 -72.57347 2.20088 1.91390 -72.56314 532.13603
7115.0000 -74.86991 -72.41950 2.45041 1.91855 -72.51721 553.38669
7120.0000 -75.60610 -72.82232 2.78378 1.90066 -72.69372 528.73486
7125.0000 -74.51482 -72.90705 1.60777 1.86950 -73.00123 489.96757
7130.0000 -75.37580 -72.65914 2.71666 1.89563 -72.74338 533.78002
7135.0000 -74.37699 -72.42593 1.95106 1.89173 -72.78187 511.77118
7140.0000 -74.80922 -72.38990 2.41932 1.93736 -72.33164 535.98615
7145.0000 -74.81989 -72.99842 1.82146 1.88640 -72.83450 527.71584
7150.0000 -75.08858 -72.86709 2.22149 1.86837 -73.01239 499.24010
7155.0000 -74.69155 -72.66562 2.02594 1.88191 -72.87880 507.34544
7160.0000 -75.08342 -73.07122 2.01220 1.88971 -72.80181 505.41008
7165.0000 -75.24791 -73.33143 1.91648 1.85403 -73.15397 469.00924
7170.0000 -75.31950 -73.30791 2.01159 1.85160 -73.17791 491.79001
7175.0000 -74.97939 -72.71278 2.26662 1.87792 -72.91820 506.61417
7180.0000 -75.05721 -73.17238 1.88483 1.88816 -72.81712 488.58902
7185.0000 -74.70342 -72.83365 1.86976 1.85397 -73.15456 471.55818
7190.0000 -74.72696 -72.55512 2.17184 1.92036 -72.49939 514.01705
7195.0000 -75.43887 -73.13028 2.30859 1.89042 -72.79486 490.64477
7200.0000 -75.43271 -73.98417 1.44854 1.82870 -73.40387 455.72914
7205.0000 -75.51395 -74.21090 1.30305 1.76615 -74.02117 383.06537
7210.0000 -76.06394 -74.16981 1.89413 1.75227 -74.15811 371.77785
7215.0000 -75.07176 -73.44415 1.62761 1.77430 -73.94069 389.80474
7220.0000 -75.10085 -72.74610 2.35475 1.83536 -73.33815 470.39775
7225.0000 -74.38073 -72.82585 1.55488 1.91347 -72.56739 520.67194
7230.0000 -75.04969 -73.33628 1.71341 1.87974 -72.90019 506.98491
7235.0000 -74.72979 -72.74433 1.98546 1.84205 -73.27217 468.44223
7240.0000 -75.07182 -73.29955 1.77226 1.85533 -73.14110 500.88615
7245.0000 -74.99357 -73.15481 1.83876 1.85767 -73.11802 483.04307
7250.0000 -74.60353 -73.03200 1.57153 1.85901 -73.10475 484.49930
FREEZING PROCESS: loop number 30 T-loop= 462.00000000000000
main_MD> interactions number 30 at Temperature= 462.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23965 1.55492 -1.62920
force_rgl> df(natom) -2.73268 2.58169 -2.29776
7255.0000 -75.05712 -72.90421 2.15291 1.88136 -72.88426 503.20559
7260.0000 -75.02661 -72.82774 2.19888 1.87505 -72.94654 496.11050
7265.0000 -75.40410 -73.52956 1.87455 1.84687 -73.22461 479.51852
7270.0000 -75.53820 -74.00173 1.53647 1.80995 -73.58888 425.98846
7275.0000 -74.95806 -72.64375 2.31431 1.81169 -73.57177 427.55632
7280.0000 -74.94941 -73.27863 1.67078 1.87613 -72.93587 503.45968
7285.0000 -75.08228 -73.42864 1.65364 1.82528 -73.43761 445.74223
7290.0000 -75.39342 -73.55147 1.84195 1.80553 -73.63253 409.73206
7295.0000 -75.27372 -73.56001 1.71371 1.81366 -73.55228 430.17541
7300.0000 -75.51302 -73.38541 2.12761 1.84331 -73.25976 459.69646
7305.0000 -75.33969 -73.08279 2.25690 1.84135 -73.27907 461.99035
7310.0000 -75.13689 -73.28782 1.84907 1.84687 -73.22455 479.99696
7315.0000 -75.40746 -73.73427 1.67319 1.80633 -73.62461 423.20653
7320.0000 -75.23688 -73.46194 1.77493 1.81227 -73.56607 433.10523
7325.0000 -75.12432 -73.24629 1.87803 1.87213 -72.97529 484.67058
7330.0000 -75.27265 -73.35687 1.91577 1.86227 -73.07261 504.85209
7335.0000 -75.11676 -73.27619 1.84056 1.82921 -73.39881 430.24200
7340.0000 -74.79869 -73.10001 1.69868 1.83013 -73.38977 445.89901
7345.0000 -75.28301 -73.36340 1.91961 1.84219 -73.27077 462.20014
7350.0000 -75.25773 -73.47066 1.78707 1.80940 -73.59430 430.83600
7355.0000 -74.60508 -73.12694 1.47814 1.84946 -73.19905 483.37633
7360.0000 -75.07624 -73.31858 1.75766 1.85018 -73.19196 445.25554
7365.0000 -75.04404 -73.26678 1.77726 1.84770 -73.21639 474.57934
7370.0000 -75.45872 -73.72430 1.73442 1.80177 -73.66966 413.79299
7375.0000 -75.12468 -73.38472 1.73995 1.79567 -73.72984 399.14470
7380.0000 -75.27510 -73.41443 1.86067 1.85646 -73.12997 470.78699
7385.0000 -75.03905 -73.23342 1.80563 1.83286 -73.36282 451.93455
7390.0000 -75.13943 -73.60772 1.53171 1.84034 -73.28905 445.78474
7395.0000 -75.19945 -73.28722 1.91222 1.82290 -73.46115 412.19074
7400.0000 -74.77890 -73.23621 1.54269 1.86012 -73.09388 422.57832
7405.0000 -75.14413 -73.66092 1.48321 1.84012 -73.29120 424.50011
7410.0000 -75.07982 -73.41865 1.66117 1.81828 -73.50668 424.46233
7415.0000 -75.39878 -73.61849 1.78029 1.81971 -73.49261 432.63526
7420.0000 -75.46930 -73.83333 1.63597 1.78481 -73.83698 392.42992
7425.0000 -74.74381 -72.95507 1.78874 1.85189 -73.17506 450.48583
7430.0000 -74.65964 -72.11285 2.54679 1.93808 -72.32449 534.73818
7435.0000 -74.76077 -72.48023 2.28054 1.94181 -72.28766 565.56049
7440.0000 -74.73788 -72.52056 2.21732 1.90841 -72.61727 523.84134
7445.0000 -74.98943 -73.11865 1.87078 1.87697 -72.92752 465.68578
7450.0000 -75.33323 -73.36109 1.97213 1.83727 -73.31929 437.43447
7455.0000 -74.94508 -72.92473 2.02035 1.87686 -72.92866 507.65407
7460.0000 -74.82331 -72.84858 1.97473 1.88424 -72.85576 475.70777
7465.0000 -75.31487 -73.45304 1.86183 1.83251 -73.36629 449.63177
7470.0000 -75.29717 -73.42286 1.87431 1.81786 -73.51086 455.28012
7475.0000 -74.84919 -72.51002 2.33917 1.85618 -73.13272 496.61780
7480.0000 -75.29350 -73.81918 1.47432 1.84422 -73.25074 491.83427
7485.0000 -75.32870 -73.76879 1.55991 1.78807 -73.80488 416.14833
7490.0000 -74.27255 -72.77032 1.50223 1.82160 -73.47394 452.54313
7495.0000 -75.09941 -73.07278 2.02663 1.88664 -72.83208 534.67974
7500.0000 -74.94470 -73.21193 1.73277 1.86893 -73.00684 499.47331
FREEZING PROCESS: loop number 31 T-loop= 437.00000000000000
main_MD> interactions number 31 at Temperature= 437.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.78804 1.13024 -2.67024
force_rgl> df(natom) 0.50593 2.60045 -3.04054
7505.0000 -75.03346 -73.00839 2.02507 1.84592 -73.23397 465.49753
7510.0000 -74.61839 -73.20195 1.41644 1.84914 -73.20215 473.13525
7515.0000 -75.16858 -73.51661 1.65197 1.82229 -73.46714 415.39390
7520.0000 -75.48519 -73.50615 1.97904 1.82177 -73.47227 460.29942
7525.0000 -75.78068 -74.26402 1.51666 1.76310 -74.05129 388.19174
7530.0000 -75.53147 -73.25151 2.27996 1.78388 -73.84616 406.87656
7535.0000 -75.48514 -73.85069 1.63445 1.81460 -73.54301 432.97524
7540.0000 -75.47015 -73.84279 1.62736 1.76377 -74.04459 388.93788
7545.0000 -75.18828 -73.45839 1.72988 1.80139 -73.67343 425.69916
7550.0000 -75.51388 -74.10640 1.40748 1.79035 -73.78233 415.23806
7555.0000 -75.44602 -74.06188 1.38415 1.75878 -74.09388 373.47573
7560.0000 -75.56196 -73.90219 1.65977 1.80409 -73.64673 427.48822
7565.0000 -75.38560 -73.74665 1.63895 1.78554 -73.82980 395.78394
7570.0000 -75.31729 -73.10674 2.21055 1.81605 -73.52876 415.36284
7575.0000 -75.31426 -73.65203 1.66223 1.83255 -73.36588 470.79047
7580.0000 -75.38931 -73.83591 1.55340 1.78754 -73.81008 392.52626
7585.0000 -75.83827 -74.12720 1.71108 1.79245 -73.76158 422.93525
7590.0000 -75.57088 -74.07783 1.49305 1.76600 -74.02263 404.67782
7595.0000 -75.42535 -74.27051 1.15484 1.74013 -74.27794 356.26215
7600.0000 -75.05771 -73.42677 1.63094 1.79922 -73.69483 410.52624
7605.0000 -74.66710 -72.41703 2.25007 1.91318 -72.57018 535.97493
7610.0000 -74.61940 -72.78537 1.83403 1.88360 -72.86214 494.05273
7615.0000 -74.37387 -72.86110 1.51277 1.89890 -72.71111 521.22385
7620.0000 -75.51030 -73.66270 1.84760 1.83882 -73.30400 463.46753
7625.0000 -75.30570 -73.53141 1.77428 1.78817 -73.80387 411.62397
7630.0000 -75.53048 -73.75324 1.77724 1.79660 -73.72065 417.81017
7635.0000 -74.97380 -73.56062 1.41318 1.77927 -73.89166 406.12337
7640.0000 -75.37804 -73.79987 1.57817 1.80824 -73.60579 424.98550
7645.0000 -75.41563 -73.65502 1.76061 1.79308 -73.75540 406.04544
7650.0000 -75.23741 -73.55355 1.68386 1.81191 -73.56956 416.35990
7655.0000 -75.27548 -73.73322 1.54225 1.82008 -73.48893 424.50899
7660.0000 -74.51551 -72.38899 2.12653 1.87195 -72.97705 465.65960
7665.0000 -74.40698 -72.58611 1.82087 1.90808 -72.62058 479.27795
7670.0000 -74.15646 -72.41173 1.74473 1.89567 -72.74302 488.07042
7675.0000 -74.66686 -72.88513 1.78173 1.89691 -72.73076 485.41009
7680.0000 -74.21097 -72.32888 1.88209 1.89431 -72.75644 489.84910
7685.0000 -74.67129 -72.81302 1.85827 1.90413 -72.65948 520.41708
7690.0000 -75.04000 -72.82947 2.21054 1.89298 -72.76958 520.66467
7695.0000 -74.90429 -72.52743 2.37686 1.90091 -72.69129 526.98991
7700.0000 -74.33907 -72.19309 2.14598 1.92503 -72.45330 540.46694
7705.0000 -74.98834 -72.48490 2.50344 1.94714 -72.23512 573.83165
7710.0000 -74.22894 -72.32665 1.90229 1.90946 -72.60690 523.99974
7715.0000 -74.07120 -72.36967 1.70153 1.91616 -72.54077 528.44624
7720.0000 -74.99364 -72.86833 2.12531 1.89183 -72.78088 518.29607
7725.0000 -74.98344 -73.35404 1.62941 1.85308 -73.16331 485.94089
7730.0000 -75.42630 -73.89348 1.53283 1.80347 -73.65290 420.37084
7735.0000 -75.84677 -73.99623 1.85054 1.77586 -73.92533 406.11431
7740.0000 -75.52569 -74.21285 1.31284 1.76058 -74.07615 393.40491
7745.0000 -74.87725 -72.99791 1.87934 1.80929 -73.59545 427.92988
7750.0000 -75.31676 -73.70569 1.61107 1.86161 -73.07915 485.61239
FREEZING PROCESS: loop number 32 T-loop= 412.00000000000000
main_MD> interactions number 32 at Temperature= 412.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61510 -0.75038 0.76014
force_rgl> df(natom) -0.52716 1.97685 -1.83311
7755.0000 -74.93234 -73.23083 1.70151 1.86575 -73.03832 479.76077
7760.0000 -74.85867 -73.39417 1.46450 1.81896 -73.50003 394.28826
7765.0000 -74.68093 -73.05389 1.62704 1.85390 -73.15518 437.37021
7770.0000 -74.81515 -73.19536 1.61978 1.84891 -73.20450 423.25231
7775.0000 -75.13198 -73.01157 2.12041 1.83140 -73.37727 411.39149
7780.0000 -75.38085 -73.15947 2.22137 1.86374 -73.05806 458.46212
7785.0000 -75.23692 -73.52444 1.71248 1.85967 -73.09823 463.73723
7790.0000 -75.36658 -73.60291 1.76367 1.79985 -73.68854 418.32698
7795.0000 -75.60932 -74.02203 1.58729 1.79290 -73.75718 409.12791
7800.0000 -75.17918 -73.61611 1.56306 1.80571 -73.63079 412.08973
7805.0000 -75.74021 -74.42463 1.31558 1.79513 -73.73514 411.16733
7810.0000 -75.50914 -73.95333 1.55582 1.74972 -74.18328 356.39694
7815.0000 -75.29454 -73.73898 1.55557 1.79797 -73.70712 418.46150
7820.0000 -75.76091 -74.35965 1.40125 1.76215 -74.06066 375.48414
7825.0000 -75.70976 -74.36803 1.34173 1.76599 -74.02273 387.02194
7830.0000 -75.33938 -73.93426 1.40512 1.76841 -73.99886 373.73204
7835.0000 -75.89175 -73.99494 1.89682 1.76410 -74.04138 380.05112
7840.0000 -75.01944 -73.12660 1.89284 1.80278 -73.65965 414.71004
7845.0000 -75.39061 -73.67031 1.72029 1.86461 -73.04948 474.33474
7850.0000 -74.93519 -73.39529 1.53990 1.81694 -73.51999 436.83941
7855.0000 -75.18190 -73.64666 1.53524 1.79793 -73.70751 423.81296
7860.0000 -75.21816 -73.56884 1.64932 1.82455 -73.44483 439.07427
7865.0000 -75.45605 -73.87564 1.58041 1.81325 -73.55636 439.15268
7870.0000 -75.57780 -73.81104 1.76676 1.78540 -73.83120 391.45345
7875.0000 -75.28790 -73.78997 1.49794 1.80246 -73.66288 403.80577
7880.0000 -74.89551 -73.28556 1.60995 1.82801 -73.41073 427.54517
7885.0000 -75.07759 -73.24038 1.83722 1.81343 -73.55458 430.45965
7890.0000 -74.97016 -73.01839 1.95177 1.85020 -73.19174 481.48211
7895.0000 -75.65815 -74.14429 1.51386 1.83159 -73.37537 449.77936
7900.0000 -75.52099 -73.97982 1.54117 1.76251 -74.05708 370.69909
7905.0000 -75.27968 -73.83069 1.44899 1.77796 -73.90458 376.23178
7910.0000 -75.37960 -73.89709 1.48251 1.76725 -74.01031 366.24814
7915.0000 -75.70171 -73.85366 1.84805 1.78515 -73.83361 398.61908
7920.0000 -75.19941 -73.78727 1.41214 1.79159 -73.77014 388.07554
7925.0000 -75.56929 -74.11689 1.45239 1.74263 -74.25329 343.82396
7930.0000 -75.43386 -73.65361 1.78025 1.77141 -73.96920 391.38272
7935.0000 -75.29001 -73.25555 2.03446 1.82427 -73.44763 434.06622
7940.0000 -75.31011 -73.88089 1.42922 1.81021 -73.58636 420.49757
7945.0000 -75.04733 -73.38895 1.65839 1.81038 -73.58466 427.11418
7950.0000 -75.08640 -73.57239 1.51401 1.82383 -73.45199 448.61438
7955.0000 -75.18588 -73.63693 1.54894 1.83599 -73.33197 444.02985
7960.0000 -75.07803 -73.78392 1.29412 1.79164 -73.76958 404.63223
7965.0000 -75.41533 -73.91757 1.49776 1.74796 -74.20067 365.66811
7970.0000 -75.29743 -72.97233 2.32510 1.84591 -73.23410 460.44697
7975.0000 -74.73448 -72.67420 2.06029 1.85234 -73.17057 467.00761
7980.0000 -75.23758 -73.18180 2.05578 1.85669 -73.12770 479.79685
7985.0000 -75.68918 -74.20716 1.48202 1.79963 -73.69072 417.69613
7990.0000 -75.07910 -73.11106 1.96804 1.78510 -73.83410 389.76312
7995.0000 -75.09591 -73.71806 1.37785 1.80005 -73.68662 388.30573
8000.0000 -75.42407 -73.66294 1.76113 1.81748 -73.51457 426.95475
FREEZING PROCESS: loop number 33 T-loop= 387.00000000000000
main_MD> interactions number 33 at Temperature= 387.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11836 0.75705 -1.07392
force_rgl> df(natom) -0.37357 -3.99354 -0.45936
8005.0000 -75.87941 -74.50318 1.37623 1.76391 -74.04324 367.45511
8010.0000 -76.04273 -74.49364 1.54910 1.74134 -74.26602 350.66111
8015.0000 -75.61426 -74.25084 1.36342 1.72114 -74.46528 332.59378
8020.0000 -75.40939 -74.09699 1.31240 1.77071 -73.97613 377.26277
8025.0000 -75.41329 -73.77922 1.63407 1.77787 -73.90554 396.31330
8030.0000 -75.37541 -74.07407 1.30134 1.77459 -73.93791 380.09508
8035.0000 -75.64792 -73.96609 1.68183 1.75849 -74.09679 362.43995
8040.0000 -75.38976 -73.57367 1.81610 1.82561 -73.43438 433.87954
8045.0000 -75.07689 -73.53166 1.54524 1.79712 -73.71556 405.62556
8050.0000 -75.39731 -73.90195 1.49536 1.79074 -73.77844 401.42198
8055.0000 -75.34597 -73.89597 1.45000 1.75533 -74.12796 356.06291
8060.0000 -75.14884 -73.70036 1.44849 1.78646 -73.82071 398.59140
8065.0000 -75.22443 -73.66285 1.56158 1.79497 -73.73673 415.91860
8070.0000 -75.72214 -74.36576 1.35638 1.77021 -73.98110 366.19157
8075.0000 -75.94825 -74.22372 1.72452 1.74602 -74.21983 350.34044
8080.0000 -75.08388 -73.74683 1.33706 1.77139 -73.96943 380.67958
8085.0000 -75.41929 -74.13846 1.28083 1.79247 -73.76142 397.68101
8090.0000 -75.38673 -73.53446 1.85227 1.76325 -74.04976 367.84302
8095.0000 -75.42653 -73.87078 1.55576 1.77169 -73.96646 392.36591
8100.0000 -75.19123 -73.74582 1.44540 1.79127 -73.77330 410.14846
8105.0000 -75.57000 -74.14763 1.42237 1.76528 -74.02971 380.52237
8110.0000 -75.44111 -73.92960 1.51151 1.75754 -74.10611 374.85742
8115.0000 -75.37734 -73.96370 1.41364 1.79161 -73.76994 383.35068
8120.0000 -75.22617 -73.78529 1.44089 1.79320 -73.75423 418.30660
8125.0000 -75.07533 -73.21886 1.85647 1.83478 -73.34390 465.23185
8130.0000 -74.92103 -73.10838 1.81265 1.87732 -72.92414 494.77959
8135.0000 -75.71264 -74.28111 1.43153 1.79585 -73.72810 414.74175
8140.0000 -75.82881 -73.81434 2.01447 1.77698 -73.91425 431.33651
8145.0000 -75.48883 -73.78445 1.70438 1.79353 -73.75097 416.47711
8150.0000 -75.62685 -74.00762 1.61924 1.75172 -74.16356 358.94135
8155.0000 -75.70928 -73.76712 1.94216 1.75860 -74.09562 378.25060
8160.0000 -75.37900 -73.74913 1.62986 1.78977 -73.78802 433.69707
8165.0000 -75.52456 -74.03373 1.49083 1.75815 -74.10007 380.28014
8170.0000 -75.83885 -74.61374 1.22511 1.71932 -74.48324 336.27809
8175.0000 -75.77004 -74.19354 1.57650 1.73806 -74.29836 361.89167
8180.0000 -75.38345 -73.53722 1.84623 1.78073 -73.87730 411.48394
8185.0000 -75.67013 -74.22924 1.44089 1.79991 -73.68800 429.09762
8190.0000 -75.81994 -74.40379 1.41615 1.74551 -74.22487 371.15370
8195.0000 -75.62078 -74.05177 1.56901 1.73613 -74.31741 348.03234
8200.0000 -75.84710 -74.74870 1.09840 1.73498 -74.32876 352.58380
8205.0000 -75.67928 -73.94174 1.73754 1.72664 -74.41105 339.84070
8210.0000 -75.61666 -74.26450 1.35216 1.76536 -74.02892 374.57078
8215.0000 -75.80564 -74.40733 1.39831 1.77190 -73.96441 395.21239
8220.0000 -75.60453 -74.27245 1.33208 1.76466 -74.03588 384.73683
8225.0000 -75.75881 -74.05359 1.70522 1.76617 -74.02093 395.24587
8230.0000 -75.56990 -73.45392 2.11598 1.81245 -73.56429 434.87063
8235.0000 -75.36430 -74.10797 1.25634 1.78505 -73.83463 380.68546
8240.0000 -75.37284 -74.17033 1.20250 1.74379 -74.24176 359.01218
8245.0000 -75.45425 -74.42095 1.03330 1.73999 -74.27931 360.32058
8250.0000 -75.63211 -74.07328 1.55883 1.74801 -74.20019 343.70782
FREEZING PROCESS: loop number 34 T-loop= 362.00000000000000
main_MD> interactions number 34 at Temperature= 362.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81075 -0.89580 -0.10290
force_rgl> df(natom) 0.01745 -0.07081 -0.14521
8255.0000 -75.83791 -74.31977 1.51814 1.73492 -74.32931 335.35414
8260.0000 -75.77213 -74.45248 1.31965 1.70773 -74.59767 307.93974
8265.0000 -75.78424 -73.76205 2.02219 1.73747 -74.30422 344.96451
8270.0000 -75.77720 -74.28713 1.49007 1.74773 -74.20297 364.21199
8275.0000 -75.40451 -73.93843 1.46608 1.72932 -74.38461 341.72982
8280.0000 -75.60914 -74.09575 1.51339 1.77043 -73.97889 389.85802
8285.0000 -75.17398 -73.53655 1.63743 1.80168 -73.67053 416.98986
8290.0000 -75.49859 -73.66248 1.83612 1.79692 -73.71748 410.20978
8295.0000 -75.49688 -74.07087 1.42600 1.76908 -73.99219 384.69208
8300.0000 -75.13836 -73.74267 1.39569 1.75929 -74.08886 371.53727
8305.0000 -75.68990 -73.99058 1.69932 1.80662 -73.62174 420.50002
8310.0000 -75.71304 -74.18521 1.52782 1.75503 -74.13084 362.14617
8315.0000 -75.43545 -74.02142 1.41402 1.75266 -74.15425 362.68332
8320.0000 -75.90102 -74.41654 1.48447 1.73441 -74.33438 338.36984
8325.0000 -75.43472 -74.15520 1.27952 1.74772 -74.20298 357.43016
8330.0000 -75.90324 -74.22049 1.68275 1.75745 -74.10698 381.68597
8335.0000 -75.67425 -74.31935 1.35490 1.74848 -74.19552 378.55706
8340.0000 -75.82721 -74.58944 1.23777 1.73458 -74.33273 356.95220
8345.0000 -75.96243 -74.64700 1.31543 1.70765 -74.59848 324.82801
8350.0000 -75.70261 -74.39182 1.31079 1.71034 -74.57186 333.27590
8355.0000 -75.64010 -74.51748 1.12262 1.74752 -74.20500 364.35149
8360.0000 -75.61261 -74.33984 1.27277 1.73151 -74.36296 347.41499
8365.0000 -75.56918 -74.23359 1.33559 1.75492 -74.13200 379.42703
8370.0000 -75.72067 -74.34948 1.37119 1.74036 -74.27564 370.71433
8375.0000 -75.61827 -73.99370 1.62457 1.72854 -74.39232 359.39607
8380.0000 -75.97770 -74.47642 1.50128 1.76367 -74.04559 382.86757
8385.0000 -75.78990 -74.33132 1.45858 1.73451 -74.33336 343.82891
8390.0000 -75.63533 -74.38713 1.24820 1.73273 -74.35094 337.37555
8395.0000 -75.75987 -74.61918 1.14070 1.72504 -74.42684 332.54142
8400.0000 -75.39305 -74.09287 1.30018 1.72534 -74.42383 346.68301
8405.0000 -75.50635 -74.25411 1.25224 1.73376 -74.34075 334.04406
8410.0000 -75.43380 -73.86740 1.56640 1.76490 -74.03345 385.61377
8415.0000 -75.81301 -74.20222 1.61079 1.75391 -74.14191 366.36913
8420.0000 -75.84343 -74.54666 1.29677 1.74955 -74.18494 362.79948
8425.0000 -75.26430 -73.94584 1.31846 1.75830 -74.09860 390.74292
8430.0000 -75.45157 -74.37829 1.07329 1.74498 -74.23007 360.87644
8435.0000 -75.60798 -74.43642 1.17156 1.72877 -74.39000 351.41446
8440.0000 -75.38863 -73.87615 1.51248 1.75780 -74.10355 368.48339
8445.0000 -75.76262 -74.43112 1.33150 1.74030 -74.27627 348.14801
8450.0000 -75.23161 -74.12889 1.10272 1.73647 -74.31408 348.04361
8455.0000 -75.41024 -73.97575 1.43449 1.78077 -73.87686 393.00236
8460.0000 -75.36128 -73.89205 1.46924 1.75498 -74.13140 379.30995
8465.0000 -75.66282 -74.20339 1.45943 1.76954 -73.98771 402.84130
8470.0000 -75.72858 -74.45514 1.27344 1.75161 -74.16462 388.82879
8475.0000 -75.54500 -74.16404 1.38096 1.75290 -74.15189 380.74867
8480.0000 -75.17950 -73.73336 1.44614 1.78542 -73.83096 417.12531
8485.0000 -75.45913 -74.08528 1.37385 1.76663 -74.01645 378.47300
8490.0000 -75.84869 -74.11022 1.73847 1.77443 -73.93941 398.43177
8495.0000 -75.76950 -74.05352 1.71599 1.75933 -74.08842 388.82223
8500.0000 -75.81057 -74.64526 1.16531 1.74933 -74.18710 381.97923
FREEZING PROCESS: loop number 35 T-loop= 337.00000000000000
main_MD> interactions number 35 at Temperature= 337.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43154 -2.30460 -0.57669
force_rgl> df(natom) -0.78316 -0.64459 1.10249
8505.0000 -76.04309 -74.77254 1.27055 1.71075 -74.56789 335.02615
8510.0000 -76.15024 -74.62902 1.52122 1.68854 -74.78700 305.98266
8515.0000 -75.71945 -74.29407 1.42538 1.74572 -74.22280 365.86020
8520.0000 -76.07954 -75.09664 0.98290 1.68381 -74.83375 290.23999
8525.0000 -75.75554 -74.84873 0.90680 1.68120 -74.85946 293.22339
8530.0000 -75.78564 -74.39171 1.39393 1.71148 -74.56066 328.27630
8535.0000 -75.85081 -74.73268 1.11813 1.71301 -74.54552 329.12787
8540.0000 -76.04973 -75.04568 1.00404 1.67586 -74.91217 280.25049
8545.0000 -75.85096 -74.47904 1.37192 1.68739 -74.79839 300.26156
8550.0000 -75.86030 -74.54899 1.31131 1.71367 -74.53905 331.39608
8555.0000 -75.80516 -74.39318 1.41197 1.70421 -74.63240 312.68047
8560.0000 -75.84004 -74.66995 1.17008 1.71407 -74.53509 322.35720
8565.0000 -75.91705 -74.61263 1.30442 1.69922 -74.68168 302.92785
8570.0000 -76.15972 -74.55266 1.60706 1.70939 -74.58127 322.67332
8575.0000 -75.83151 -74.41908 1.41243 1.72247 -74.45219 338.63635
8580.0000 -75.85023 -74.46499 1.38524 1.70935 -74.58170 327.65497
8585.0000 -75.89849 -74.73413 1.16436 1.72406 -74.43653 337.66588
8590.0000 -75.76941 -74.35967 1.40975 1.73982 -74.28103 364.39109
8595.0000 -75.37842 -74.23816 1.14027 1.71050 -74.57029 332.20966
8600.0000 -75.60279 -74.24547 1.35732 1.75861 -74.09561 379.95358
8605.0000 -75.70982 -74.44276 1.26706 1.73020 -74.37587 347.85325
8610.0000 -75.72609 -74.65019 1.07590 1.70530 -74.62168 312.93585
8615.0000 -76.11380 -74.89854 1.21526 1.70457 -74.62884 310.92619
8620.0000 -76.11714 -74.90855 1.20859 1.68104 -74.86103 296.78384
8625.0000 -75.88131 -74.72103 1.16028 1.68836 -74.78878 295.94079
8630.0000 -75.55499 -74.28517 1.26982 1.71067 -74.56863 328.27040
8635.0000 -75.64092 -74.04765 1.59328 1.75805 -74.10108 375.71477
8640.0000 -75.66454 -74.33000 1.33454 1.76669 -74.01583 375.03611
8645.0000 -75.57805 -74.05387 1.52419 1.74769 -74.20329 345.66684
8650.0000 -75.66303 -74.63731 1.02571 1.73225 -74.35567 336.14583
8655.0000 -75.91113 -74.66567 1.24546 1.70340 -74.64038 305.08862
8660.0000 -75.50704 -74.33775 1.16929 1.71251 -74.55052 310.54242
8665.0000 -75.61093 -74.25220 1.35873 1.76478 -74.03468 384.90488
8670.0000 -75.76792 -74.53794 1.22997 1.73289 -74.34940 365.66134
8675.0000 -75.87146 -74.74288 1.12857 1.68920 -74.78053 303.90477
8680.0000 -75.76530 -74.48736 1.27793 1.71757 -74.50052 335.94350
8685.0000 -75.70478 -74.26670 1.43808 1.73274 -74.35087 337.54008
8690.0000 -75.83444 -74.66519 1.16925 1.74324 -74.24721 361.47072
8695.0000 -76.11330 -74.88407 1.22922 1.69683 -74.70517 307.41438
8700.0000 -76.07212 -74.49627 1.57585 1.69924 -74.68144 312.88849
8705.0000 -75.91873 -74.37095 1.54779 1.75789 -74.10264 371.53401
8710.0000 -75.88789 -74.44646 1.44143 1.72741 -74.40344 341.94019
8715.0000 -75.88095 -74.74660 1.13434 1.72666 -74.41083 347.23371
8720.0000 -75.74064 -74.54652 1.19411 1.69433 -74.72986 316.76931
8725.0000 -75.55550 -74.75431 0.80119 1.71589 -74.51714 336.56249
8730.0000 -76.04724 -74.73959 1.30766 1.72106 -74.46614 340.63086
8735.0000 -75.87266 -74.68518 1.18748 1.70744 -74.60056 325.97888
8740.0000 -75.97698 -74.84616 1.13082 1.67859 -74.88518 294.75255
8745.0000 -75.75348 -74.36096 1.39252 1.72103 -74.46637 340.50342
8750.0000 -75.36201 -74.19316 1.16885 1.75312 -74.14970 375.07378
FREEZING PROCESS: loop number 36 T-loop= 312.00000000000000
main_MD> interactions number 36 at Temperature= 312.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40560 2.09914 -0.36959
force_rgl> df(natom) -2.92821 -1.32677 0.27207
8755.0000 -75.94092 -74.62386 1.31706 1.71818 -74.49455 327.80475
8760.0000 -75.84664 -74.28325 1.56339 1.72544 -74.42289 331.00817
8765.0000 -75.85532 -74.44465 1.41067 1.73308 -74.34749 341.83249
8770.0000 -75.76283 -74.63467 1.12816 1.69646 -74.70890 293.94967
8775.0000 -75.55914 -74.27590 1.28324 1.71899 -74.48657 325.40671
8780.0000 -75.85803 -74.83511 1.02292 1.71651 -74.51104 328.51447
8785.0000 -75.74501 -74.55805 1.18696 1.70367 -74.63769 301.86846
8790.0000 -75.95732 -75.01816 0.93916 1.71702 -74.50596 324.20729
8795.0000 -76.07154 -75.08576 0.98579 1.65805 -75.08788 259.22087
8800.0000 -75.95366 -74.89859 1.05507 1.68412 -74.83060 295.37748
8805.0000 -75.88456 -74.62561 1.25895 1.70625 -74.61231 321.16416
8810.0000 -75.77276 -74.84004 0.93272 1.70259 -74.64841 308.41413
8815.0000 -75.87913 -74.66969 1.20944 1.68754 -74.79686 282.80653
8820.0000 -75.82088 -74.53087 1.29001 1.70750 -74.59989 302.06366
8825.0000 -75.96287 -74.64226 1.32061 1.71160 -74.55950 311.33431
8830.0000 -75.87379 -74.59907 1.27472 1.69196 -74.75331 291.56182
8835.0000 -75.81473 -74.62128 1.19345 1.69868 -74.68696 310.82947
8840.0000 -75.72924 -74.44823 1.28100 1.72077 -74.46896 331.18138
8845.0000 -75.71312 -74.47071 1.24240 1.72500 -74.42726 334.17516
8850.0000 -75.95414 -74.20568 1.74846 1.73543 -74.32426 355.44015
8855.0000 -75.46054 -73.98777 1.47277 1.75538 -74.12740 385.63935
8860.0000 -75.57299 -74.33667 1.23632 1.74106 -74.26874 350.39520
8865.0000 -75.85604 -74.54191 1.31413 1.71230 -74.55254 320.89358
8870.0000 -75.91901 -74.49049 1.42852 1.71406 -74.53519 312.81451
8875.0000 -75.85282 -74.70821 1.14461 1.70806 -74.59436 313.49952
8880.0000 -76.17129 -74.68547 1.48582 1.69731 -74.70048 320.87025
8885.0000 -76.14873 -74.83286 1.31587 1.68557 -74.81634 303.43626
8890.0000 -75.81439 -74.30629 1.50810 1.72016 -74.47502 333.03854
8895.0000 -76.18487 -75.12185 1.06302 1.69806 -74.69306 310.38680
8900.0000 -76.17108 -75.23232 0.93876 1.65804 -75.08802 263.69250
8905.0000 -76.10579 -74.74800 1.35779 1.68628 -74.80933 306.99465
8910.0000 -75.97757 -74.59397 1.38359 1.68211 -74.85048 295.29390
8915.0000 -76.07271 -74.32310 1.74961 1.73794 -74.29949 358.41237
8920.0000 -76.17257 -74.76703 1.40554 1.71602 -74.51586 334.56671
8925.0000 -76.26201 -75.24873 1.01328 1.66239 -75.04507 255.01323
8930.0000 -76.04302 -74.82366 1.21936 1.66256 -75.04339 273.00168
8935.0000 -76.09605 -74.77876 1.31729 1.68843 -74.78807 307.35219
8940.0000 -76.14723 -75.00804 1.13919 1.69035 -74.76913 304.72380
8945.0000 -76.31862 -75.21777 1.10085 1.66992 -74.97081 277.76277
8950.0000 -76.02431 -74.71083 1.31348 1.67746 -74.89639 289.29269
8955.0000 -76.16778 -74.75339 1.41438 1.69897 -74.68407 298.06995
8960.0000 -75.83965 -74.64494 1.19471 1.70423 -74.63223 305.11483
8965.0000 -76.06387 -74.91714 1.14673 1.69135 -74.75929 287.50928
8970.0000 -75.91877 -74.68061 1.23816 1.68896 -74.78287 301.38406
8975.0000 -75.81603 -74.44170 1.37433 1.71982 -74.47838 337.32831
8980.0000 -75.65162 -74.46955 1.18206 1.73711 -74.30776 350.18411
8985.0000 -75.67479 -74.49716 1.17762 1.76014 -74.08045 386.76554
8990.0000 -75.57170 -74.05247 1.51924 1.73280 -74.35028 346.51623
8995.0000 -75.78276 -74.60389 1.17887 1.75019 -74.17861 348.25454
9000.0000 -75.76624 -74.68447 1.08178 1.69690 -74.70449 301.96011
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 9.6166247 [s].
main_MD> Deallocating global variables
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