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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_100/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_100.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 = 100 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: 100 10000
main_MD> Size of nv and nvoiz: 100 10000
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 = 100
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 5.7143575595454479E-002 -3.2408126038071430E-002 -9.1614149957216284E-002 initial drift of cluster / NP1 for coalescence
init> 0.34661634649712347 0.35182407310747238 0.34190530143806969 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7254252755716676E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35845 0.04954 -0.75464
force_rgl> df(natom) -1.98331 -1.83144 1.80932
preparo> THERMALIZATION PROCESS AT 1204.2372328700621
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -222.54205208819872 15.888181160617137 -238.43023324881585 7.0515826311714287E-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= 1179.0000000000000
main_MD> interactions number 1 at Temperature= 1179.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09927 0.94644 -1.00835
force_rgl> df(natom) 1.64993 -0.46205 2.23687
5.0000 -237.43079 -220.18943 17.24136 3.39016 -221.96124 1218.19039
10.0000 -239.91676 -227.47158 12.44518 3.27646 -224.41083 1163.14373
15.0000 -236.75504 -222.66754 14.08750 3.22610 -225.49574 1100.40228
20.0000 -241.14074 -224.10059 17.04015 3.31917 -223.49065 1196.45018
25.0000 -236.61235 -222.40858 14.20377 3.37217 -222.34884 1195.43871
30.0000 -239.10042 -223.76497 15.33544 3.29869 -223.93186 1130.68151
35.0000 -239.95711 -221.40665 18.55046 3.34872 -222.85401 1189.80514
40.0000 -239.78167 -223.66489 16.11678 3.30298 -223.83941 1196.03391
45.0000 -238.69015 -222.06354 16.62661 3.40965 -221.54132 1219.72544
50.0000 -239.24041 -224.48423 14.75618 3.33233 -223.20707 1182.83700
55.0000 -237.27384 -220.01373 17.26011 3.38551 -222.06146 1231.53909
60.0000 -237.10981 -222.49735 14.61245 3.40791 -221.57888 1237.29432
65.0000 -237.55615 -223.10945 14.44670 3.36122 -222.58464 1189.74793
70.0000 -236.76548 -222.95675 13.80873 3.39084 -221.94658 1211.28110
75.0000 -241.41394 -224.55803 16.85590 3.27220 -224.50255 1132.83801
80.0000 -239.98328 -225.75745 14.22583 3.23332 -225.34015 1134.54162
85.0000 -238.62162 -223.14234 15.47928 3.30854 -223.71963 1179.33711
90.0000 -237.47220 -223.32156 14.15064 3.34059 -223.02911 1177.10970
95.0000 -240.34441 -226.36071 13.98370 3.25036 -224.97319 1127.82015
100.0000 -240.10289 -225.77681 14.32608 3.17918 -226.50657 1099.83895
105.0000 -239.08595 -224.14344 14.94251 3.18590 -226.36187 1122.71981
110.0000 -238.42995 -224.11273 14.31722 3.29861 -223.93358 1129.12184
115.0000 -237.69986 -223.19877 14.50109 3.30376 -223.82267 1168.42937
120.0000 -238.47520 -223.10479 15.37041 3.30512 -223.79341 1158.97108
125.0000 -240.88729 -222.94141 17.94588 3.31458 -223.58956 1178.19357
130.0000 -240.73671 -223.54475 17.19196 3.34993 -222.82789 1215.73501
135.0000 -239.93249 -225.00830 14.92419 3.23330 -225.34057 1123.73933
140.0000 -238.77750 -224.73988 14.03762 3.25896 -224.78789 1131.22000
145.0000 -236.40061 -222.65339 13.74722 3.39487 -221.85969 1201.84431
150.0000 -235.41912 -219.99155 15.42757 3.47348 -220.16608 1264.62605
155.0000 -236.93716 -220.30752 16.62964 3.52902 -218.96949 1279.27375
160.0000 -237.34275 -223.09472 14.24803 3.39043 -221.95547 1217.10522
165.0000 -240.57548 -221.69321 18.88227 3.33821 -223.08037 1196.83558
170.0000 -238.59010 -220.10403 18.48607 3.50732 -219.43698 1342.69785
175.0000 -237.90855 -223.01697 14.89158 3.41698 -221.38350 1254.48877
180.0000 -239.59844 -222.57921 17.01923 3.37590 -222.26838 1201.31426
185.0000 -236.72112 -222.20216 14.51896 3.31811 -223.51341 1149.57592
190.0000 -236.03178 -219.18325 16.84852 3.44436 -220.79361 1264.88322
195.0000 -240.80207 -221.19693 19.60514 3.52168 -219.12764 1325.64420
200.0000 -237.71008 -222.79449 14.91559 3.38946 -221.97621 1239.20870
205.0000 -238.25898 -222.57504 15.68395 3.33145 -223.22600 1190.26383
210.0000 -241.42688 -228.13952 13.28736 3.23888 -225.22048 1142.19400
215.0000 -240.36454 -226.85601 13.50853 3.15980 -226.92411 1069.40654
220.0000 -239.31004 -224.41717 14.89287 3.20359 -225.98079 1112.47662
225.0000 -240.85832 -226.10531 14.75301 3.27056 -224.53790 1124.52580
230.0000 -238.69963 -222.31659 16.38304 3.30020 -223.89943 1167.35888
235.0000 -237.97756 -222.98280 14.99476 3.36401 -222.52464 1197.97800
240.0000 -237.21070 -223.22513 13.98557 3.30593 -223.77588 1156.58756
245.0000 -238.37327 -222.61792 15.75535 3.27368 -224.47064 1149.70121
250.0000 -236.98810 -220.45054 16.53757 3.36947 -222.40706 1177.93372
FREEZING PROCESS: loop number 2 T-loop= 1154.0000000000000
main_MD> interactions number 2 at Temperature= 1154.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.59008 1.73410 -5.61864
force_rgl> df(natom) -2.07099 -2.73826 -0.55485
255.0000 -238.94944 -224.46486 14.48458 3.34342 -222.96827 1176.98506
260.0000 -237.60546 -221.52101 16.08444 3.35001 -222.82633 1219.05633
265.0000 -237.44445 -223.33629 14.10816 3.39732 -221.80691 1230.31557
270.0000 -241.19466 -227.70383 13.49083 3.25927 -224.78118 1135.04997
275.0000 -239.09556 -224.77959 14.31598 3.22123 -225.60065 1107.56959
280.0000 -240.41489 -223.53704 16.87785 3.32295 -223.40919 1177.62523
285.0000 -238.64812 -224.68676 13.96136 3.25810 -224.80638 1152.61809
290.0000 -239.06613 -223.34901 15.71712 3.32285 -223.41133 1197.65764
295.0000 -242.06614 -224.54754 17.51860 3.25999 -224.76574 1131.86485
300.0000 -240.96344 -226.12711 14.83633 3.22719 -225.47226 1106.53824
305.0000 -241.37314 -227.11488 14.25827 3.21961 -225.63556 1119.88736
310.0000 -239.83969 -225.73424 14.10545 3.16633 -226.78357 1078.27097
315.0000 -240.24868 -225.45815 14.79053 3.17750 -226.54283 1067.09101
320.0000 -243.57897 -229.24720 14.33176 3.11721 -227.84174 1038.85540
325.0000 -241.34968 -227.00788 14.34179 3.12810 -227.60709 1080.48415
330.0000 -242.21382 -228.15443 14.05940 3.14105 -227.32823 1091.43763
335.0000 -240.56897 -226.17929 14.38968 3.09961 -228.22092 1049.46364
340.0000 -240.88572 -227.38318 13.50255 3.16385 -226.83693 1087.52240
345.0000 -243.15434 -228.20123 14.95311 3.11778 -227.82947 1039.50611
350.0000 -241.21121 -223.89252 17.31869 3.19306 -226.20765 1097.02540
355.0000 -238.00314 -223.99689 14.00625 3.29223 -224.07104 1173.69839
360.0000 -238.22433 -223.13875 15.08559 3.35158 -222.79247 1186.32166
365.0000 -238.23481 -224.21539 14.01942 3.34893 -222.84955 1218.85788
370.0000 -239.84370 -225.07445 14.76925 3.30157 -223.86980 1153.66316
375.0000 -238.90005 -224.30473 14.59532 3.27166 -224.51414 1122.22269
380.0000 -239.80992 -226.41406 13.39586 3.28765 -224.16963 1149.96865
385.0000 -237.45369 -223.14151 14.31218 3.26200 -224.72230 1121.31181
390.0000 -237.32632 -220.97430 16.35202 3.39997 -221.74979 1222.70903
395.0000 -238.62914 -222.50855 16.12058 3.39436 -221.87082 1217.25706
400.0000 -236.61063 -222.30921 14.30142 3.39556 -221.84483 1236.28089
405.0000 -242.53729 -227.51442 15.02287 3.32309 -223.40612 1174.67525
410.0000 -238.72415 -224.74858 13.97557 3.18743 -226.32887 1098.52718
415.0000 -243.88999 -230.15678 13.73320 3.16139 -226.89001 1067.54045
420.0000 -240.72908 -226.49793 14.23115 3.14542 -227.23391 1053.73588
425.0000 -238.91802 -225.83452 13.08350 3.19313 -226.20618 1119.53039
430.0000 -240.60128 -224.42699 16.17429 3.25447 -224.88450 1171.60812
435.0000 -237.85529 -221.76944 16.08585 3.32800 -223.30046 1199.76296
440.0000 -238.62910 -222.28227 16.34683 3.40082 -221.73154 1228.11668
445.0000 -238.73452 -224.29619 14.43833 3.32523 -223.36020 1184.36113
450.0000 -237.31125 -223.36969 13.94156 3.24099 -225.17491 1113.30432
455.0000 -240.90676 -225.83348 15.07328 3.31842 -223.50672 1154.47287
460.0000 -240.40052 -226.40885 13.99167 3.22505 -225.51847 1119.73957
465.0000 -238.77306 -226.08112 12.69194 3.20545 -225.94066 1116.93526
470.0000 -239.73497 -223.81768 15.91729 3.21534 -225.72766 1080.94062
475.0000 -238.06530 -223.23493 14.83036 3.29479 -224.01591 1156.81111
480.0000 -240.43622 -225.25598 15.18024 3.23322 -225.34231 1126.67630
485.0000 -239.28571 -224.15361 15.13210 3.32656 -223.33149 1186.29477
490.0000 -238.25599 -225.46760 12.78838 3.25009 -224.97890 1149.42259
495.0000 -239.78320 -225.29545 14.48774 3.26288 -224.70344 1135.57887
500.0000 -236.40047 -222.16233 14.23814 3.33121 -223.23129 1161.29733
FREEZING PROCESS: loop number 3 T-loop= 1129.0000000000000
main_MD> interactions number 3 at Temperature= 1129.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85467 0.86087 0.04613
force_rgl> df(natom) -4.15694 -4.23099 4.51751
505.0000 -238.09019 -223.07317 15.01702 3.31139 -223.65836 1191.63830
510.0000 -238.63903 -223.97258 14.66645 3.28080 -224.31730 1168.24737
515.0000 -236.65684 -223.25252 13.40432 3.33535 -223.14209 1166.76180
520.0000 -238.64313 -225.01994 13.62319 3.34023 -223.03683 1190.37393
525.0000 -238.46523 -226.58133 11.88390 3.20933 -225.85708 1108.59512
530.0000 -240.59117 -226.33244 14.25873 3.19581 -226.14826 1117.25739
535.0000 -238.23563 -223.34447 14.89117 3.24382 -225.11405 1111.51099
540.0000 -236.48375 -223.56846 12.91529 3.30682 -223.75678 1173.47080
545.0000 -237.50180 -221.30674 16.19506 3.38644 -222.04129 1195.81794
550.0000 -238.16644 -224.58285 13.58359 3.27716 -224.39577 1147.60514
555.0000 -239.24865 -224.85030 14.39835 3.27942 -224.34712 1176.89219
560.0000 -239.31876 -225.42270 13.89607 3.23462 -225.31217 1111.09306
565.0000 -239.61684 -225.84895 13.76788 3.24407 -225.10865 1139.63520
570.0000 -241.82288 -226.37453 15.44834 3.18170 -226.45231 1083.81864
575.0000 -241.30759 -226.80855 14.49904 3.20699 -225.90743 1097.28707
580.0000 -242.61155 -230.35080 12.26076 3.06932 -228.87349 1024.13383
585.0000 -242.03855 -226.34430 15.69425 3.08285 -228.58209 1028.82464
590.0000 -239.64688 -224.16040 15.48648 3.20761 -225.89417 1083.55305
595.0000 -237.75486 -222.97545 14.77942 3.36922 -222.41242 1184.94595
600.0000 -238.94821 -223.24888 15.69934 3.35928 -222.62658 1207.98105
605.0000 -236.67937 -223.33420 13.34517 3.30298 -223.83947 1140.15570
610.0000 -237.50548 -222.68142 14.82406 3.38096 -222.15952 1196.05771
615.0000 -237.56595 -224.72305 12.84290 3.30809 -223.72938 1176.82886
620.0000 -236.53463 -221.40232 15.13231 3.30269 -223.84563 1152.87879
625.0000 -238.07011 -223.76612 14.30400 3.38958 -221.97363 1202.29514
630.0000 -239.88036 -225.72789 14.15247 3.30939 -223.70128 1143.28381
635.0000 -240.24875 -227.36490 12.88385 3.19605 -226.14320 1068.92193
640.0000 -239.92833 -225.04979 14.87854 3.21070 -225.82751 1101.23689
645.0000 -238.17199 -224.12405 14.04794 3.26762 -224.60120 1127.53550
650.0000 -236.90353 -221.67803 15.22550 3.30065 -223.88972 1153.46407
655.0000 -238.88349 -223.27578 15.60771 3.33556 -223.13753 1160.14955
660.0000 -237.12528 -221.64976 15.47553 3.35430 -222.73371 1203.55168
665.0000 -239.78928 -224.66152 15.12776 3.28445 -224.23875 1156.44005
670.0000 -239.90984 -224.66191 15.24793 3.28385 -224.25152 1152.67076
675.0000 -238.71269 -222.85597 15.85672 3.33156 -223.22371 1181.68678
680.0000 -241.72458 -225.48936 16.23522 3.29927 -223.91934 1151.53169
685.0000 -243.33728 -228.77914 14.55814 3.11107 -227.97401 1055.66908
690.0000 -244.17414 -230.04110 14.13304 3.08095 -228.62290 1049.58427
695.0000 -243.59694 -230.57082 13.02612 2.97787 -230.84376 951.50867
700.0000 -240.84162 -226.80928 14.03234 3.08158 -228.60931 1020.98237
705.0000 -241.36764 -227.70605 13.66159 3.10890 -228.02078 1067.07729
710.0000 -240.06721 -227.07619 12.99102 3.12192 -227.74028 1049.39454
715.0000 -238.93853 -222.47914 16.45939 3.20236 -226.00726 1115.73049
720.0000 -238.70530 -222.72026 15.98504 3.34436 -222.94803 1211.82762
725.0000 -238.69820 -222.74569 15.95251 3.42828 -221.14000 1247.69775
730.0000 -238.48999 -223.80868 14.68131 3.31384 -223.60552 1167.46283
735.0000 -239.26387 -224.67248 14.59139 3.35343 -222.75246 1218.86885
740.0000 -239.16123 -225.40203 13.75920 3.26330 -224.69437 1116.48024
745.0000 -241.48251 -227.99619 13.48631 3.16759 -226.75643 1063.46230
750.0000 -241.11602 -225.23124 15.88478 3.13124 -227.53939 1031.72434
FREEZING PROCESS: loop number 4 T-loop= 1104.0000000000000
main_MD> interactions number 4 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.19320 -0.21539 -1.63783
force_rgl> df(natom) -0.35321 -1.72703 0.43991
755.0000 -237.96037 -220.68242 17.27794 3.34790 -222.87177 1180.74471
760.0000 -241.18411 -224.35429 16.82983 3.30657 -223.76205 1172.18078
765.0000 -238.74958 -223.26006 15.48952 3.31188 -223.64774 1166.22071
770.0000 -237.15030 -221.72425 15.42605 3.45060 -220.65897 1275.67885
775.0000 -238.74858 -224.27235 14.47623 3.25347 -224.90622 1121.65911
780.0000 -237.67428 -224.20439 13.46989 3.25154 -224.94760 1126.75667
785.0000 -238.43360 -224.60468 13.82892 3.29472 -224.01736 1162.45224
790.0000 -241.90873 -228.89155 13.01718 3.14686 -227.20300 1042.89660
795.0000 -239.74776 -227.02577 12.72200 3.10974 -228.00264 1042.51398
800.0000 -239.96100 -225.47726 14.48374 3.17486 -226.59977 1104.28409
805.0000 -240.14071 -226.36624 13.77448 3.23574 -225.28813 1147.70056
810.0000 -241.48027 -225.38705 16.09322 3.20670 -225.91364 1100.33650
815.0000 -242.20180 -227.21659 14.98521 3.22797 -225.45539 1151.94968
820.0000 -242.60237 -229.17854 13.42383 3.10556 -228.09275 1066.70003
825.0000 -238.87869 -225.25036 13.62834 3.16365 -226.84119 1067.41037
830.0000 -240.34658 -226.52809 13.81850 3.20152 -226.02530 1087.35489
835.0000 -238.86716 -222.18177 16.68539 3.27170 -224.51337 1145.52147
840.0000 -238.13619 -224.41636 13.71984 3.33081 -223.23981 1176.97370
845.0000 -239.45735 -223.50087 15.95648 3.23130 -225.38386 1115.09008
850.0000 -237.87041 -224.63038 13.24003 3.27381 -224.46795 1115.56623
855.0000 -239.43781 -224.77107 14.66673 3.24803 -225.02328 1100.68684
860.0000 -237.45549 -224.28288 13.17260 3.21264 -225.78576 1101.05484
865.0000 -241.77584 -226.73991 15.03593 3.22646 -225.48812 1107.92509
870.0000 -239.01617 -224.85127 14.16490 3.17921 -226.50592 1092.06336
875.0000 -240.32939 -228.44300 11.88638 3.18637 -226.35172 1096.94455
880.0000 -240.09217 -225.47748 14.61469 3.15979 -226.92438 1066.31252
885.0000 -241.75830 -226.25667 15.50164 3.18719 -226.33410 1052.43271
890.0000 -240.09753 -227.31997 12.77755 3.19208 -226.22862 1075.04157
895.0000 -239.27864 -228.38913 10.88951 3.09370 -228.34816 1006.31732
900.0000 -240.43218 -227.83666 12.59553 3.09940 -228.22545 1013.99639
905.0000 -241.95524 -229.80816 12.14707 3.10514 -228.10176 1049.08160
910.0000 -240.42463 -227.58267 12.84196 3.06795 -228.90303 1029.25253
915.0000 -239.91640 -227.66326 12.25314 3.10539 -228.09648 1025.74605
920.0000 -242.38130 -228.76516 13.61614 3.05645 -229.15079 1027.89405
925.0000 -238.75769 -225.64438 13.11331 3.13971 -227.35689 1070.22141
930.0000 -238.91110 -223.91849 14.99261 3.26170 -224.72890 1159.65698
935.0000 -242.61458 -229.26928 13.34530 3.11514 -227.88626 1067.73609
940.0000 -239.38474 -227.33278 12.05196 3.10168 -228.17627 1065.74429
945.0000 -240.88971 -226.99287 13.89685 3.13652 -227.42566 1079.52778
950.0000 -237.78351 -223.05303 14.73048 3.25859 -224.79588 1154.47027
955.0000 -239.94144 -226.56719 13.37425 3.21041 -225.83371 1090.75318
960.0000 -241.08750 -224.14217 16.94533 3.21754 -225.68024 1117.23117
965.0000 -239.13673 -223.33501 15.80172 3.32996 -223.25828 1144.54237
970.0000 -237.82570 -224.37999 13.44571 3.30813 -223.72839 1153.63592
975.0000 -242.37232 -227.42686 14.94546 3.18889 -226.29752 1114.08307
980.0000 -238.31155 -223.17774 15.13381 3.24411 -225.10781 1142.94438
985.0000 -238.03174 -224.80023 13.23151 3.27273 -224.49123 1140.51051
990.0000 -239.08608 -225.93320 13.15288 3.20300 -225.99336 1111.32876
995.0000 -241.37384 -228.70502 12.66882 3.16250 -226.86605 1076.30434
1000.0000 -244.02578 -231.12405 12.90173 3.03183 -229.68113 1013.38045
FREEZING PROCESS: loop number 5 T-loop= 1079.0000000000000
main_MD> interactions number 5 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47426 -0.52587 1.37086
force_rgl> df(natom) -0.65566 3.11652 -0.20251
1005.0000 -242.52888 -227.72159 14.80729 3.03562 -229.59962 1007.40906
1010.0000 -240.92885 -228.08004 12.84881 3.11736 -227.83860 1037.85879
1015.0000 -242.73828 -228.04540 14.69288 3.09535 -228.31272 1042.66487
1020.0000 -241.06491 -227.61579 13.44912 3.06954 -228.86886 1036.83263
1025.0000 -240.98994 -227.37360 13.61634 3.16931 -226.71927 1115.85719
1030.0000 -242.65474 -227.39781 15.25693 3.13060 -227.55332 1056.21488
1035.0000 -239.82170 -227.57686 12.24483 3.13687 -227.41827 1059.02800
1040.0000 -239.62396 -225.15785 14.46611 3.20570 -225.93532 1097.78138
1045.0000 -241.66577 -226.97964 14.68613 3.15782 -226.96676 1085.64568
1050.0000 -241.47674 -227.89193 13.58481 3.13753 -227.40404 1070.99437
1055.0000 -240.58053 -225.38248 15.19804 3.17625 -226.56982 1105.69399
1060.0000 -239.03611 -225.75138 13.28473 3.26053 -224.75406 1148.23956
1065.0000 -236.96296 -223.26566 13.69729 3.28741 -224.17493 1139.91710
1070.0000 -239.64573 -226.38143 13.26430 3.25692 -224.83189 1103.77911
1075.0000 -239.54888 -226.30093 13.24795 3.20159 -226.02385 1077.04729
1080.0000 -239.51570 -222.98339 16.53231 3.29094 -224.09888 1175.84116
1085.0000 -239.58889 -223.10309 16.48581 3.34610 -222.91039 1189.06320
1090.0000 -237.87454 -224.38591 13.48863 3.29927 -223.91938 1141.21268
1095.0000 -238.68173 -224.66158 14.02015 3.29962 -223.91178 1163.64897
1100.0000 -238.13648 -222.07556 16.06091 3.26911 -224.56911 1114.06871
1105.0000 -239.51604 -225.20053 14.31551 3.31923 -223.48927 1178.90602
1110.0000 -242.32183 -229.81780 12.50403 3.12869 -227.59441 1053.94665
1115.0000 -242.81933 -229.20918 13.61015 3.05224 -229.24150 1021.49734
1120.0000 -241.24144 -229.25016 11.99128 3.06670 -228.92999 1007.26294
1125.0000 -242.10601 -226.32081 15.78521 3.09932 -228.22725 1021.89235
1130.0000 -241.46093 -228.72143 12.73951 3.06893 -228.88183 1034.03146
1135.0000 -241.17860 -226.63026 14.54834 3.08242 -228.59123 1042.73723
1140.0000 -239.19939 -224.46187 14.73752 3.16874 -226.73167 1090.75557
1145.0000 -240.88794 -225.45710 15.43084 3.23564 -225.29022 1117.06045
1150.0000 -238.71178 -224.48135 14.23043 3.24266 -225.13905 1120.47108
1155.0000 -237.98502 -223.84602 14.13900 3.15706 -226.98331 1069.74293
1160.0000 -242.49667 -226.99678 15.49990 3.23502 -225.30359 1135.64608
1165.0000 -243.32421 -231.52105 11.80316 3.03037 -229.71261 998.97798
1170.0000 -242.18286 -227.25617 14.92669 3.08025 -228.63811 1034.03151
1175.0000 -239.10598 -224.99777 14.10821 3.19991 -226.06013 1094.09659
1180.0000 -241.59952 -228.40987 13.18965 3.16420 -226.82946 1077.70061
1185.0000 -241.52723 -226.88203 14.64520 3.13931 -227.36572 1067.80683
1190.0000 -242.93402 -227.28613 15.64789 3.17106 -226.68168 1098.03097
1195.0000 -242.71729 -230.03084 12.68644 3.11665 -227.85385 1063.66230
1200.0000 -239.49231 -226.12095 13.37137 3.09911 -228.23161 1035.50735
1205.0000 -241.80866 -227.77002 14.03864 3.11537 -227.88146 1056.56256
1210.0000 -240.51394 -225.43573 15.07821 3.15046 -227.12533 1053.76763
1215.0000 -240.49837 -229.04864 11.44973 3.25053 -224.96943 1138.56212
1220.0000 -242.10472 -229.37175 12.73298 3.05223 -229.24171 998.66368
1225.0000 -242.23969 -228.11073 14.12895 3.08707 -228.49116 1037.81351
1230.0000 -245.14746 -231.74670 13.40077 3.00849 -230.18411 995.71252
1235.0000 -240.62409 -227.12637 13.49772 3.07404 -228.77185 1006.42797
1240.0000 -241.89575 -227.83125 14.06450 3.11004 -227.99616 1054.03943
1245.0000 -241.07447 -227.73626 13.33822 3.16139 -226.88995 1106.53328
1250.0000 -240.79344 -227.86622 12.92722 3.17193 -226.66288 1096.57746
FREEZING PROCESS: loop number 6 T-loop= 1054.0000000000000
main_MD> interactions number 6 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57215 -0.33317 1.26425
force_rgl> df(natom) 3.34042 -0.26573 4.38662
1255.0000 -243.56493 -229.11688 14.44805 3.14533 -227.23593 1070.59609
1260.0000 -243.70399 -231.53366 12.17033 2.97543 -230.89620 985.17024
1265.0000 -241.14553 -227.82926 13.31628 3.03553 -229.60144 1018.67532
1270.0000 -241.44451 -227.21947 14.22504 3.10169 -228.17603 1032.15129
1275.0000 -241.02528 -226.18051 14.84477 3.23420 -225.32123 1130.50304
1280.0000 -241.10133 -225.03080 16.07053 3.17651 -226.56413 1072.36522
1285.0000 -240.21605 -227.93511 12.28095 3.21247 -225.78942 1094.97042
1290.0000 -239.06860 -223.98916 15.07944 3.20858 -225.87318 1093.17921
1295.0000 -241.88930 -227.63436 14.25494 3.21179 -225.80412 1104.84191
1300.0000 -242.01927 -230.02901 11.99027 3.10252 -228.15825 1035.75957
1305.0000 -241.14884 -226.64364 14.50519 3.08910 -228.44746 1062.55815
1310.0000 -242.05401 -228.31278 13.74123 3.06232 -229.02427 1036.02639
1315.0000 -243.58650 -229.10390 14.48260 3.05583 -229.16415 1039.09445
1320.0000 -240.73247 -226.15640 14.57607 3.10972 -228.00319 1066.73976
1325.0000 -239.90348 -225.36962 14.53387 3.22365 -225.54858 1114.60884
1330.0000 -240.50097 -225.94645 14.55452 3.19582 -226.14807 1085.53004
1335.0000 -240.17851 -224.81230 15.36621 3.19676 -226.12791 1113.59551
1340.0000 -240.52913 -226.20540 14.32373 3.24100 -225.17486 1100.92422
1345.0000 -239.77549 -225.98282 13.79267 3.15628 -226.99998 1064.96089
1350.0000 -241.31977 -227.37946 13.94031 3.20015 -226.05490 1098.32710
1355.0000 -242.38712 -229.20796 13.17915 3.09902 -228.23373 1052.49387
1360.0000 -241.31182 -228.73210 12.57971 3.06595 -228.94622 1023.40921
1365.0000 -244.26159 -230.52012 13.74148 3.06848 -228.89161 1020.11108
1370.0000 -241.47126 -230.45026 11.02101 3.04274 -229.44611 1013.74065
1375.0000 -239.31189 -227.33550 11.97640 3.10233 -228.16233 1043.49389
1380.0000 -240.97032 -227.54888 13.42144 3.15615 -227.00284 1087.47496
1385.0000 -241.25338 -228.97816 12.27522 3.08660 -228.50128 1031.86973
1390.0000 -241.24689 -225.69961 15.54727 3.14563 -227.22948 1067.33814
1395.0000 -241.90916 -228.11346 13.79570 3.17933 -226.50332 1076.07261
1400.0000 -241.74007 -227.83273 13.90734 3.09129 -228.40010 1056.71279
1405.0000 -241.93965 -226.55572 15.38394 3.17003 -226.70378 1070.69068
1410.0000 -240.05407 -225.33390 14.72017 3.21094 -225.82236 1112.65602
1415.0000 -242.86310 -227.34069 15.52241 3.21769 -225.67689 1117.43118
1420.0000 -241.40076 -226.70643 14.69433 3.10065 -228.19856 1047.60393
1425.0000 -238.73499 -225.22899 13.50599 3.23246 -225.35868 1132.98303
1430.0000 -238.77772 -223.47858 15.29914 3.27422 -224.45909 1129.52844
1435.0000 -243.06725 -228.62744 14.43980 3.19426 -226.18183 1104.35261
1440.0000 -243.28454 -229.56781 13.71672 3.06477 -228.97160 1028.33897
1445.0000 -243.32743 -229.95104 13.37639 3.05404 -229.20274 1030.96117
1450.0000 -243.84400 -229.80209 14.04191 3.06179 -229.03580 1012.61639
1455.0000 -243.12562 -230.96912 12.15651 3.00957 -230.16080 998.15805
1460.0000 -242.24671 -228.56234 13.68437 3.02964 -229.72847 992.23804
1465.0000 -242.72618 -228.73076 13.99542 3.07030 -228.85235 1020.76428
1470.0000 -238.75973 -224.90271 13.85702 3.13817 -227.39022 1057.49951
1475.0000 -243.42654 -228.80881 14.61773 3.21977 -225.63226 1083.91426
1480.0000 -242.60452 -229.52371 13.08081 3.09382 -228.34566 1066.69410
1485.0000 -243.04500 -229.59248 13.45252 3.03057 -229.70839 999.85308
1490.0000 -241.06322 -228.22677 12.83645 3.07799 -228.68667 1018.11052
1495.0000 -243.09594 -229.00793 14.08801 3.11812 -227.82214 1053.25986
1500.0000 -239.86499 -224.99090 14.87409 3.16213 -226.87404 1071.07654
FREEZING PROCESS: loop number 7 T-loop= 1029.0000000000000
main_MD> interactions number 7 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68079 1.57863 0.06096
force_rgl> df(natom) 3.40687 -1.78180 -1.29350
1505.0000 -238.14951 -224.91967 13.22984 3.31296 -223.62445 1169.41960
1510.0000 -242.97067 -229.34282 13.62784 3.15773 -226.96876 1052.35790
1515.0000 -240.37454 -225.77898 14.59556 3.12938 -227.57959 1021.14413
1520.0000 -242.85162 -229.99410 12.85752 3.12114 -227.75716 1053.59302
1525.0000 -242.93093 -230.18766 12.74327 3.02327 -229.86565 1001.30073
1530.0000 -245.27418 -231.53960 13.73457 2.99697 -230.43227 998.65020
1535.0000 -245.07026 -232.05816 13.01211 2.98824 -230.62029 964.92498
1540.0000 -244.99639 -230.94327 14.05312 2.90639 -232.38381 936.55241
1545.0000 -244.51394 -232.65166 11.86228 2.98904 -230.60303 984.83605
1550.0000 -243.57920 -229.09127 14.48792 2.98683 -230.65066 987.91149
1555.0000 -243.34690 -230.19380 13.15310 3.02226 -229.88744 1005.20288
1560.0000 -243.56615 -231.06336 12.50278 2.95231 -231.39440 948.28400
1565.0000 -243.17591 -228.77734 14.39856 2.99631 -230.44649 959.11731
1570.0000 -241.73895 -227.68584 14.05311 3.04344 -229.43106 1024.20364
1575.0000 -244.27871 -231.34552 12.93318 3.02491 -229.83033 988.00278
1580.0000 -242.69044 -230.78329 11.90716 2.97648 -230.87358 940.82121
1585.0000 -245.77028 -233.86657 11.90371 2.87864 -232.98166 896.66484
1590.0000 -245.04725 -231.23465 13.81260 2.92760 -231.92687 941.00840
1595.0000 -242.24669 -228.41123 13.83546 3.00402 -230.28030 984.13715
1600.0000 -242.08441 -229.13991 12.94450 3.06923 -228.87555 1008.12437
1605.0000 -240.09446 -226.09919 13.99527 3.11855 -227.81290 1053.76344
1610.0000 -240.87634 -227.73035 13.14598 3.18649 -226.34908 1080.46693
1615.0000 -240.31525 -228.82537 11.48988 3.07301 -228.79392 986.99709
1620.0000 -244.30168 -230.26959 14.03209 3.02749 -229.77463 990.67147
1625.0000 -240.33368 -227.99906 12.33462 3.03759 -229.55708 1009.16549
1630.0000 -241.01249 -229.73049 11.28200 3.02997 -229.72126 1034.05004
1635.0000 -239.56576 -226.38865 13.17711 3.13799 -227.39405 1072.54301
1640.0000 -241.20383 -227.54966 13.65417 3.17451 -226.60729 1104.40002
1645.0000 -239.87488 -225.20814 14.66674 3.14826 -227.17273 1069.38003
1650.0000 -242.23080 -228.97459 13.25621 3.16853 -226.73606 1075.48791
1655.0000 -240.94594 -229.16719 11.77875 3.10872 -228.02458 1041.13722
1660.0000 -241.82999 -228.27551 13.55448 3.09724 -228.27195 1019.28753
1665.0000 -241.92019 -229.79554 12.12465 3.04508 -229.39566 1005.77821
1670.0000 -243.44137 -231.77796 11.66341 3.00749 -230.20556 1002.15672
1675.0000 -243.71389 -230.44021 13.27367 2.91962 -232.09873 934.26865
1680.0000 -240.02888 -225.62049 14.40840 3.16051 -226.90892 1085.28164
1685.0000 -241.03791 -226.99533 14.04258 3.16974 -226.71004 1094.88562
1690.0000 -242.77160 -228.21063 14.56097 3.16753 -226.75757 1086.91336
1695.0000 -242.52606 -228.04443 14.48164 3.07748 -228.69765 1049.21501
1700.0000 -241.32320 -227.41657 13.90663 3.12301 -227.71683 1070.02732
1705.0000 -243.38794 -229.43622 13.95172 3.11156 -227.96349 1050.63622
1710.0000 -243.28526 -229.91298 13.37229 3.01632 -230.01536 986.94544
1715.0000 -242.69847 -230.02712 12.67135 2.99538 -230.46645 982.44345
1720.0000 -239.56492 -227.82465 11.74026 3.06477 -228.97149 1024.13190
1725.0000 -243.77359 -230.59668 13.17690 3.03887 -229.52945 987.26398
1730.0000 -241.76082 -226.42196 15.33886 3.08268 -228.58557 1044.62025
1735.0000 -241.40756 -225.78172 15.62583 3.15604 -227.00526 1091.53849
1740.0000 -241.33794 -227.30125 14.03669 3.19278 -226.21373 1064.53058
1745.0000 -242.42276 -229.41771 13.00504 3.08372 -228.56319 1034.08609
1750.0000 -243.98200 -230.05649 13.92551 3.04122 -229.47898 1017.22528
FREEZING PROCESS: loop number 8 T-loop= 1004.0000000000000
main_MD> interactions number 8 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91153 0.14102 0.89064
force_rgl> df(natom) 0.54631 -1.68283 2.04994
1755.0000 -242.93742 -230.57927 12.35815 2.99473 -230.48056 978.53596
1760.0000 -242.09712 -228.16267 13.93445 3.01870 -229.96399 1007.88248
1765.0000 -244.25814 -231.99441 12.26373 2.99598 -230.45350 961.83279
1770.0000 -243.14145 -231.87355 11.26789 2.93366 -231.79617 945.31481
1775.0000 -242.14788 -230.06649 12.08139 2.94190 -231.61860 952.78396
1780.0000 -239.34099 -226.11346 13.22754 3.09750 -228.26633 1047.11505
1785.0000 -242.33171 -230.12565 12.20606 3.11528 -227.88325 1060.76085
1790.0000 -244.64468 -232.28471 12.35997 2.98416 -230.70812 978.85087
1795.0000 -244.08164 -231.36204 12.71960 2.93700 -231.72431 941.34450
1800.0000 -246.89343 -232.79337 14.10006 2.89844 -232.55505 914.47895
1805.0000 -244.37761 -231.27907 13.09854 2.91061 -232.29278 941.74892
1810.0000 -241.24723 -230.12496 11.12227 3.00728 -230.21014 996.10271
1815.0000 -244.64793 -230.62452 14.02341 3.02973 -229.72647 1028.20777
1820.0000 -245.49098 -232.09810 13.39288 3.00961 -230.15998 997.73130
1825.0000 -242.77125 -229.47821 13.29305 2.98449 -230.70108 972.23345
1830.0000 -244.25041 -231.16110 13.08931 3.05385 -229.20686 1017.37888
1835.0000 -242.96304 -229.19623 13.76681 2.97410 -230.92491 981.85180
1840.0000 -242.09603 -229.16037 12.93566 3.04905 -229.31020 1012.22934
1845.0000 -242.42230 -227.89043 14.53187 3.09730 -228.27074 1038.16479
1850.0000 -242.96444 -228.78584 14.17860 3.08819 -228.46697 1032.41665
1855.0000 -245.76009 -232.42027 13.33982 2.98852 -230.61425 988.36970
1860.0000 -243.03228 -229.11934 13.91294 2.98077 -230.78136 976.27984
1865.0000 -241.56023 -227.32150 14.23873 3.09778 -228.26032 1026.05502
1870.0000 -242.41422 -229.18142 13.23281 3.10693 -228.06319 1051.09367
1875.0000 -242.20644 -230.45278 11.75366 3.04583 -229.37968 1007.36018
1880.0000 -242.45936 -229.19396 13.26540 3.02004 -229.93525 989.46363
1885.0000 -241.68436 -228.44377 13.24059 3.03275 -229.66147 1021.60975
1890.0000 -240.85300 -225.66575 15.18725 3.12692 -227.63256 1075.81726
1895.0000 -240.25934 -229.02781 11.23153 3.13864 -227.38014 1047.36539
1900.0000 -241.66401 -227.44634 14.21767 3.10411 -228.12395 1039.98925
1905.0000 -241.83029 -228.27689 13.55340 3.11684 -227.84966 1062.11088
1910.0000 -242.56032 -229.10087 13.45946 3.05176 -229.25187 1032.91544
1915.0000 -241.89499 -227.82048 14.07450 3.09902 -228.23363 1063.13719
1920.0000 -240.50116 -229.24247 11.25869 3.07831 -228.67973 1048.42728
1925.0000 -245.04209 -231.79839 13.24370 2.99530 -230.46819 982.08474
1930.0000 -241.59134 -228.52220 13.06914 2.96157 -231.19487 942.73249
1935.0000 -237.95308 -224.78432 13.16876 3.20505 -225.94929 1087.04160
1940.0000 -240.47516 -225.08630 15.38885 3.22762 -225.46312 1114.58116
1945.0000 -239.20468 -223.62905 15.57563 3.26230 -224.71596 1147.25002
1950.0000 -243.38661 -229.42220 13.96441 3.19298 -226.20925 1107.98664
1955.0000 -241.17533 -228.11892 13.05641 3.05785 -229.12066 997.07127
1960.0000 -239.78466 -226.74392 13.04074 3.13127 -227.53882 1035.39608
1965.0000 -242.39126 -227.71022 14.68104 3.14593 -227.22308 1082.32841
1970.0000 -243.21422 -229.82628 13.38793 3.06693 -228.92500 1020.19555
1975.0000 -241.22554 -229.28725 11.93829 3.04340 -229.43186 1027.83961
1980.0000 -240.05219 -228.04335 12.00884 3.05321 -229.22057 1009.37166
1985.0000 -239.89433 -227.02007 12.87426 3.14244 -227.29810 1035.75629
1990.0000 -243.54062 -230.84553 12.69510 3.04630 -229.36937 998.61398
1995.0000 -244.39253 -231.29414 13.09840 2.95627 -231.30908 965.47410
2000.0000 -242.16027 -231.63709 10.52318 2.93378 -231.79358 936.07960
FREEZING PROCESS: loop number 9 T-loop= 979.00000000000000
main_MD> interactions number 9 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14563 -2.31913 6.51033
force_rgl> df(natom) -0.83540 0.22859 -1.48586
2005.0000 -244.13420 -230.62675 13.50745 2.95418 -231.35406 962.55139
2010.0000 -243.87299 -232.70596 11.16703 2.91049 -232.29549 928.50278
2015.0000 -245.17500 -232.84844 12.32655 2.89283 -232.67587 927.59952
2020.0000 -244.81627 -232.75273 12.06354 2.91347 -232.23123 947.52980
2025.0000 -242.93675 -230.62602 12.31072 2.92773 -231.92390 955.64132
2030.0000 -244.08473 -232.12150 11.96323 2.92376 -232.00958 942.14139
2035.0000 -242.76929 -228.82808 13.94120 2.96382 -231.14639 951.77176
2040.0000 -240.44719 -228.76482 11.68237 3.08901 -228.44923 1031.10479
2045.0000 -242.05104 -229.97822 12.07282 3.01616 -230.01875 995.70427
2050.0000 -241.22415 -228.51970 12.70445 3.00371 -230.28707 1009.58564
2055.0000 -243.03043 -229.42250 13.60793 3.11226 -227.94842 1057.65634
2060.0000 -242.50702 -230.26212 12.24490 3.01418 -230.06142 987.44167
2065.0000 -243.37669 -230.93954 12.43715 3.01900 -229.95767 977.39848
2070.0000 -242.57170 -230.28776 12.28395 2.96881 -231.03897 958.67473
2075.0000 -242.70869 -228.19212 14.51657 3.01032 -230.14464 993.94172
2080.0000 -241.64355 -229.29454 12.34901 2.99524 -230.46951 965.34758
2085.0000 -242.05803 -229.94817 12.10986 2.99759 -230.41898 993.99516
2090.0000 -240.99289 -229.63282 11.36007 3.04460 -229.40615 1031.29895
2095.0000 -242.13708 -231.16267 10.97441 2.96185 -231.18882 966.24681
2100.0000 -244.51699 -229.30716 15.20983 3.01048 -230.14108 980.66260
2105.0000 -243.06751 -231.59083 11.47669 2.99683 -230.43515 984.64193
2110.0000 -243.61932 -230.08107 13.53824 2.93761 -231.71108 946.23828
2115.0000 -240.77389 -228.89590 11.87798 2.99381 -230.50042 972.01457
2120.0000 -242.66625 -229.63640 13.02984 3.05079 -229.27265 1016.90842
2125.0000 -243.98944 -230.71087 13.27857 2.96182 -231.18957 926.10741
2130.0000 -243.77385 -231.42805 12.34580 3.00669 -230.22274 1007.79856
2135.0000 -242.66619 -230.76360 11.90259 2.96429 -231.13639 954.31473
2140.0000 -244.87768 -229.88444 14.99324 3.03715 -229.56668 1027.40568
2145.0000 -246.19079 -234.12229 12.06849 2.94455 -231.56166 963.02975
2150.0000 -246.72664 -236.22759 10.49906 2.78405 -235.01936 848.91578
2155.0000 -244.55391 -231.56558 12.98833 2.86940 -233.18061 917.72850
2160.0000 -243.93052 -230.84540 13.08512 2.94719 -231.50465 957.26462
2165.0000 -243.03388 -229.61991 13.41396 3.00158 -230.33299 972.57976
2170.0000 -243.07132 -230.23152 12.83979 2.97406 -230.92582 958.19352
2175.0000 -243.11440 -229.77137 13.34304 3.03491 -229.61488 996.36588
2180.0000 -242.75647 -231.29687 11.45960 2.99397 -230.49686 977.77150
2185.0000 -242.46806 -227.12293 15.34512 3.05761 -229.12581 1016.05366
2190.0000 -241.07391 -226.62245 14.45146 3.13102 -227.54422 1072.32517
2195.0000 -242.43918 -229.56191 12.87727 3.07936 -228.65718 1014.53911
2200.0000 -244.20606 -234.39878 9.80729 2.92603 -231.96057 915.67505
2205.0000 -242.09029 -230.78604 11.30424 2.85540 -233.48223 875.85820
2210.0000 -244.73741 -231.85055 12.88686 2.96762 -231.06463 971.61375
2215.0000 -245.64449 -231.90145 13.74304 2.90462 -232.42186 931.90691
2220.0000 -242.63990 -228.88715 13.75275 3.00533 -230.25204 982.12170
2225.0000 -240.81842 -228.59290 12.22552 3.03808 -229.54647 1017.28360
2230.0000 -243.95221 -228.06031 15.89190 3.07119 -228.83324 1025.22593
2235.0000 -242.54314 -230.01372 12.52942 3.05695 -229.14011 1017.76918
2240.0000 -243.69360 -229.48865 14.20495 3.03732 -229.56288 1000.45250
2245.0000 -241.92566 -227.77878 14.14688 3.06238 -229.02310 1013.61487
2250.0000 -243.36219 -230.15267 13.20953 3.04996 -229.29069 1008.17826
FREEZING PROCESS: loop number 10 T-loop= 954.00000000000000
main_MD> interactions number 10 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26247 1.34235 2.40986
force_rgl> df(natom) -5.08532 0.85093 -4.98646
2255.0000 -242.83056 -231.92504 10.90552 2.97588 -230.88657 965.84903
2260.0000 -244.62102 -231.26197 13.35906 2.93891 -231.68305 935.15103
2265.0000 -245.86411 -234.22985 11.63426 2.91534 -232.19092 927.07781
2270.0000 -243.83006 -230.65704 13.17302 2.84501 -233.70606 895.45717
2275.0000 -241.74885 -228.08372 13.66513 3.04183 -229.46578 1023.78794
2280.0000 -242.17702 -230.27716 11.89986 2.99266 -230.52500 949.84580
2285.0000 -243.16379 -231.99325 11.17054 2.95210 -231.39884 950.42346
2290.0000 -243.98922 -231.30320 12.68602 2.97547 -230.89542 978.64364
2295.0000 -244.00863 -233.33975 10.66887 2.91914 -232.10907 929.79749
2300.0000 -244.10199 -232.04592 12.05606 2.91734 -232.14784 938.33007
2305.0000 -241.97133 -227.78451 14.18681 2.99098 -230.56139 987.01015
2310.0000 -241.84215 -230.34809 11.49406 3.13862 -227.38048 1071.48737
2315.0000 -245.28869 -231.12109 14.16761 2.92760 -231.92683 941.86681
2320.0000 -243.49668 -231.54165 11.95503 2.97574 -230.88964 990.65617
2325.0000 -244.08163 -232.42443 11.65719 2.91772 -232.13969 936.90842
2330.0000 -246.45748 -234.55700 11.90048 2.84971 -233.60480 889.75240
2335.0000 -243.29754 -232.16397 11.13357 2.88177 -232.91414 898.60283
2340.0000 -243.57814 -232.40653 11.17162 2.90035 -232.51375 915.03418
2345.0000 -242.93664 -231.53217 11.40447 2.90818 -232.34512 948.55653
2350.0000 -242.36516 -229.30323 13.06193 3.01509 -230.04196 967.13657
2355.0000 -242.41655 -229.23935 13.17720 3.02732 -229.77826 999.32243
2360.0000 -241.84769 -228.36137 13.48632 3.05754 -229.12734 1023.65241
2365.0000 -242.31716 -231.14471 11.17245 2.99691 -230.43358 978.42149
2370.0000 -243.76629 -232.72486 11.04143 2.91872 -232.11804 946.34120
2375.0000 -243.60711 -229.94425 13.66285 2.98362 -230.71996 973.71269
2380.0000 -243.00731 -229.94670 13.06061 3.04304 -229.43978 1018.12376
2385.0000 -243.79043 -230.99330 12.79713 2.97215 -230.96698 982.46418
2390.0000 -242.54205 -230.01263 12.52943 2.99307 -230.51631 971.13931
2395.0000 -245.95178 -234.24888 11.70291 2.92883 -231.90028 937.74878
2400.0000 -246.26771 -233.37481 12.89289 2.84145 -233.78276 883.93729
2405.0000 -245.06152 -233.48919 11.57233 2.87597 -233.03907 938.45635
2410.0000 -246.82489 -235.07189 11.75299 2.83871 -233.84183 883.77054
2415.0000 -246.76265 -233.62480 13.13785 2.81165 -234.42486 888.66087
2420.0000 -244.45377 -232.79400 11.65977 2.88522 -232.83978 920.71597
2425.0000 -242.07731 -230.27643 11.80088 2.96440 -231.13396 964.58905
2430.0000 -242.43466 -229.43075 13.00391 3.00438 -230.27251 998.53934
2435.0000 -240.85351 -228.20696 12.64655 3.08636 -228.50649 1029.58249
2440.0000 -242.36051 -230.37551 11.98500 3.07735 -228.70056 1011.31638
2445.0000 -242.03830 -228.95017 13.08813 3.03847 -229.53811 979.22944
2450.0000 -242.66252 -229.94529 12.71724 2.99506 -230.47335 973.67659
2455.0000 -244.43268 -232.99381 11.43887 2.94704 -231.50791 958.54634
2460.0000 -244.96627 -233.58761 11.37865 2.80627 -234.54081 877.00375
2465.0000 -244.38830 -232.78398 11.60433 2.91836 -232.12580 946.11560
2470.0000 -246.90781 -234.25970 12.64812 2.85941 -233.39587 909.53997
2475.0000 -243.61850 -233.07092 10.54758 2.81384 -234.37774 859.03619
2480.0000 -243.32706 -231.36366 11.96339 2.92363 -232.01235 919.03932
2485.0000 -243.75633 -228.97002 14.78631 2.98866 -230.61122 986.54645
2490.0000 -241.10757 -229.27646 11.83111 3.08113 -228.61905 1015.44157
2495.0000 -243.74761 -231.27297 12.47463 2.98823 -230.62051 970.35329
2500.0000 -242.80242 -230.62123 12.18119 3.00467 -230.26633 974.02164
FREEZING PROCESS: loop number 11 T-loop= 929.00000000000000
main_MD> interactions number 11 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64347 -1.20134 -0.87740
force_rgl> df(natom) -1.23094 0.43947 0.38408
2505.0000 -244.20922 -231.69160 12.51762 2.94716 -231.50533 958.21675
2510.0000 -244.38137 -231.70656 12.67480 2.90183 -232.48203 935.79036
2515.0000 -243.83404 -231.75769 12.07635 2.94628 -231.52426 933.67236
2520.0000 -242.66218 -230.28289 12.37929 2.93032 -231.86807 961.48556
2525.0000 -242.61617 -230.49218 12.12399 2.95628 -231.30881 963.18202
2530.0000 -242.34284 -230.74487 11.59797 2.96364 -231.15025 944.66149
2535.0000 -245.70092 -232.87612 12.82480 2.91438 -232.21159 913.75661
2540.0000 -245.40090 -232.02200 13.37890 2.88285 -232.89079 929.93634
2545.0000 -243.43072 -231.31324 12.11747 2.94200 -231.61647 937.71868
2550.0000 -245.60304 -232.50563 13.09741 2.94198 -231.61688 971.96877
2555.0000 -244.08653 -232.71984 11.36668 2.89101 -232.71510 933.04997
2560.0000 -244.68986 -233.91723 10.77263 2.87615 -233.03517 927.77467
2565.0000 -244.59355 -231.33127 13.26228 2.88016 -232.94880 910.15234
2570.0000 -244.95467 -232.17163 12.78305 2.90720 -232.36618 944.74617
2575.0000 -247.92641 -236.06097 11.86545 2.81969 -234.25163 913.09282
2580.0000 -244.26390 -233.05908 11.20483 2.79573 -234.76793 891.74858
2585.0000 -244.13868 -231.03344 13.10524 2.92667 -231.94683 943.83479
2590.0000 -243.10572 -230.94779 12.15793 2.96966 -231.02053 965.89234
2595.0000 -245.54935 -233.35373 12.19562 2.90639 -232.38376 905.73144
2600.0000 -246.02157 -232.25978 13.76179 2.91514 -232.19512 953.13057
2605.0000 -243.62878 -232.64056 10.98822 2.91576 -232.18185 952.69348
2610.0000 -244.78164 -232.45144 12.33020 2.89379 -232.65516 933.32467
2615.0000 -242.58915 -228.84143 13.74772 3.03287 -229.65875 991.74937
2620.0000 -244.77144 -230.95159 13.81985 2.98625 -230.66326 975.01735
2625.0000 -241.55807 -228.49503 13.06304 2.97098 -230.99216 936.96122
2630.0000 -243.58385 -229.61305 13.97080 2.99821 -230.40542 1000.33024
2635.0000 -242.18754 -229.58730 12.60024 2.98458 -230.69925 949.89978
2640.0000 -243.84417 -232.43613 11.40804 2.95773 -231.27760 940.83856
2645.0000 -243.69088 -232.85945 10.83143 2.94213 -231.61368 944.70814
2650.0000 -243.80238 -232.09248 11.70991 2.87531 -233.05326 914.65127
2655.0000 -244.94124 -232.13030 12.81094 2.91010 -232.30370 955.05624
2660.0000 -243.47462 -232.37169 11.10292 2.92721 -231.93512 940.33444
2665.0000 -244.34522 -232.85044 11.49478 2.88714 -232.79851 937.28975
2670.0000 -241.60221 -229.76387 11.83834 2.94157 -231.62579 942.16372
2675.0000 -244.05907 -231.82552 12.23355 2.94194 -231.61792 943.27212
2680.0000 -245.32957 -233.24192 12.08765 2.91966 -232.09779 910.51735
2685.0000 -247.48290 -236.00975 11.47315 2.81799 -234.28820 881.12855
2690.0000 -246.09566 -234.97634 11.11932 2.72876 -236.21056 820.19278
2695.0000 -245.45754 -234.48496 10.97258 2.75918 -235.55535 876.17861
2700.0000 -244.77841 -233.32214 11.45627 2.82966 -234.03678 901.76603
2705.0000 -243.50736 -231.86640 11.64097 2.86862 -233.19743 909.28332
2710.0000 -243.43246 -230.83705 12.59541 2.93526 -231.76170 926.72242
2715.0000 -246.08132 -233.44056 12.64076 2.90625 -232.38684 929.06896
2720.0000 -245.62495 -233.66311 11.96184 2.83799 -233.85740 885.91334
2725.0000 -245.16272 -233.68832 11.47440 2.84656 -233.67264 863.71282
2730.0000 -245.84692 -235.69263 10.15428 2.77803 -235.14910 843.99867
2735.0000 -244.45589 -233.06481 11.39108 2.79999 -234.67604 847.61966
2740.0000 -245.24429 -235.13480 10.10949 2.85043 -233.58924 894.96099
2745.0000 -246.95297 -236.21378 10.73919 2.78504 -234.99813 865.66313
2750.0000 -246.23113 -234.93821 11.29292 2.76708 -235.38517 857.21668
FREEZING PROCESS: loop number 12 T-loop= 904.00000000000000
main_MD> interactions number 12 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.83433 0.29493 -5.88383
force_rgl> df(natom) -0.00541 0.36129 -0.08766
2755.0000 -244.54700 -233.39122 11.15578 2.80297 -234.61175 872.93187
2760.0000 -245.09407 -232.24996 12.84411 2.93862 -231.68943 929.35060
2765.0000 -244.19700 -231.72505 12.47195 2.92519 -231.97876 937.18456
2770.0000 -246.11960 -234.15479 11.96481 2.82533 -234.13002 881.24934
2775.0000 -246.07441 -233.36823 12.70618 2.79645 -234.75231 887.09756
2780.0000 -245.29548 -233.48182 11.81366 2.87593 -233.04004 904.10596
2785.0000 -244.68375 -233.24650 11.43726 2.88527 -232.83869 907.82620
2790.0000 -245.97892 -234.54883 11.43009 2.82364 -234.16652 879.34100
2795.0000 -246.94286 -235.58521 11.35764 2.79269 -234.83337 863.17401
2800.0000 -246.40601 -236.20196 10.20405 2.75693 -235.60383 844.42002
2805.0000 -245.90519 -235.29507 10.61012 2.74745 -235.80788 853.71345
2810.0000 -247.41456 -236.81315 10.60140 2.72064 -236.38557 838.88993
2815.0000 -245.93442 -234.97874 10.95567 2.76835 -235.35778 824.44203
2820.0000 -244.30951 -231.99654 12.31297 2.89717 -232.58240 917.92939
2825.0000 -243.38829 -230.81781 12.57048 2.92399 -232.00445 927.40142
2830.0000 -243.07072 -229.72528 13.34545 2.98877 -230.60884 986.24479
2835.0000 -241.36270 -231.30094 10.06176 3.02275 -229.87681 970.02895
2840.0000 -244.18755 -231.74853 12.43902 2.88928 -232.75243 887.70765
2845.0000 -246.13540 -235.01113 11.12427 2.84303 -233.74884 905.12361
2850.0000 -242.43698 -232.23884 10.19815 2.85736 -233.43996 899.17866
2855.0000 -244.93201 -233.90117 11.03084 2.89805 -232.56351 911.08303
2860.0000 -243.74946 -231.97146 11.77800 2.82427 -234.15294 882.88645
2865.0000 -245.42482 -233.20858 12.21624 2.88268 -232.89463 926.00444
2870.0000 -244.91827 -234.56540 10.35286 2.81691 -234.31158 906.01683
2875.0000 -244.06434 -232.40479 11.65956 2.82371 -234.16506 871.52667
2880.0000 -244.10357 -231.60974 12.49384 2.90211 -232.47603 929.06359
2885.0000 -244.29272 -233.67337 10.61935 2.89304 -232.67132 922.18799
2890.0000 -246.01759 -232.64678 13.37081 2.89192 -232.69541 913.14388
2895.0000 -245.60095 -233.15627 12.44468 2.86538 -233.26733 920.77571
2900.0000 -247.30901 -235.31553 11.99347 2.86391 -233.29894 922.34246
2905.0000 -243.49964 -232.14523 11.35441 2.84806 -233.64030 910.46074
2910.0000 -245.08044 -233.14606 11.93437 2.88901 -232.75824 916.59838
2915.0000 -244.93354 -234.55851 10.37502 2.86100 -233.36153 914.37146
2920.0000 -245.19213 -234.81349 10.37864 2.78376 -235.02566 871.13283
2925.0000 -244.57745 -230.52568 14.05177 2.85030 -233.59219 887.74366
2930.0000 -243.94878 -232.71832 11.23046 2.94418 -231.56954 948.61560
2935.0000 -246.43332 -233.99160 12.44171 2.86284 -233.32201 900.62920
2940.0000 -245.58235 -233.47551 12.10684 2.86402 -233.29656 902.99310
2945.0000 -244.25720 -231.88085 12.37635 2.89756 -232.57407 924.26516
2950.0000 -243.68687 -230.85598 12.83089 2.95430 -231.35151 941.10793
2955.0000 -242.01804 -229.71913 12.29892 2.97469 -230.91221 979.75143
2960.0000 -242.52442 -230.21770 12.30672 2.99292 -230.51958 976.99914
2965.0000 -242.35943 -231.65786 10.70156 2.98474 -230.69580 984.92745
2970.0000 -244.05641 -230.12435 13.93206 2.94959 -231.45311 950.90053
2975.0000 -244.21595 -230.62838 13.58757 2.95534 -231.32922 946.89384
2980.0000 -244.95731 -231.71368 13.24362 2.98233 -230.74766 985.54459
2985.0000 -244.39234 -230.84133 13.55100 2.95303 -231.37887 963.52207
2990.0000 -243.75832 -231.53517 12.22315 2.95710 -231.29126 963.95326
2995.0000 -244.90704 -233.10474 11.80230 2.93000 -231.87508 941.18265
3000.0000 -245.10982 -232.16500 12.94483 2.93450 -231.77816 945.05631
FREEZING PROCESS: loop number 13 T-loop= 879.00000000000000
main_MD> interactions number 13 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38800 0.62990 -1.34886
force_rgl> df(natom) -1.17311 -0.65850 2.08965
3005.0000 -244.86529 -231.80449 13.06080 2.89758 -232.57356 905.68886
3010.0000 -245.65127 -233.42540 12.22587 2.88691 -232.80335 920.53695
3015.0000 -244.10259 -232.08915 12.01344 2.88320 -232.88324 911.67845
3020.0000 -246.52960 -235.67492 10.85468 2.81200 -234.41736 859.92698
3025.0000 -247.67475 -236.56598 11.10876 2.69793 -236.87495 794.26890
3030.0000 -246.16114 -236.68538 9.47576 2.71783 -236.44620 827.93408
3035.0000 -247.62071 -238.16381 9.45690 2.71677 -236.46898 813.59922
3040.0000 -245.46386 -233.24496 12.21890 2.77546 -235.20461 865.84125
3045.0000 -246.90274 -235.79720 11.10555 2.83360 -233.95198 893.39155
3050.0000 -246.40308 -234.71709 11.68599 2.79770 -234.72537 844.18928
3055.0000 -244.99281 -232.88234 12.11047 2.82337 -234.17230 857.86071
3060.0000 -244.76770 -233.68629 11.08141 2.81934 -234.25921 886.87730
3065.0000 -247.07416 -234.99732 12.07684 2.79401 -234.80489 851.25277
3070.0000 -246.77851 -235.59039 11.18812 2.76190 -235.49670 826.46124
3075.0000 -244.50767 -234.02271 10.48496 2.80506 -234.56685 881.47153
3080.0000 -244.27233 -231.42999 12.84234 2.88548 -232.83413 907.48616
3085.0000 -242.67705 -231.42655 11.25050 2.95886 -231.25334 971.87729
3090.0000 -245.94114 -234.21159 11.72955 2.90745 -232.36081 915.48934
3095.0000 -245.08463 -235.28099 9.80364 2.82016 -234.24148 864.10824
3100.0000 -245.94566 -235.37437 10.57129 2.76406 -235.45013 838.11344
3105.0000 -246.06754 -234.27682 11.79072 2.77012 -235.31949 852.24325
3110.0000 -244.35718 -234.07947 10.27771 2.80226 -234.62723 860.40742
3115.0000 -245.49621 -234.37121 11.12500 2.78898 -234.91324 839.97191
3120.0000 -246.20287 -235.27373 10.92914 2.78847 -234.92431 846.81077
3125.0000 -244.05329 -231.51979 12.53349 2.87835 -232.98782 919.54924
3130.0000 -246.28973 -235.60573 10.68400 2.81542 -234.34368 866.70784
3135.0000 -244.08739 -232.56725 11.52014 2.77099 -235.30083 862.41498
3140.0000 -244.40890 -232.57737 11.83152 2.89436 -232.64289 925.89631
3145.0000 -242.81816 -232.67112 10.14704 2.91591 -232.17867 942.95007
3150.0000 -243.94391 -231.01366 12.93024 2.92116 -232.06561 932.73388
3155.0000 -245.42714 -230.72311 14.70402 2.99391 -230.49823 982.83224
3160.0000 -243.54802 -231.43506 12.11296 2.89815 -232.56127 937.73782
3165.0000 -246.00646 -234.92329 11.08317 2.83549 -233.91130 884.11014
3170.0000 -245.43360 -235.25183 10.18177 2.77844 -235.14024 846.35619
3175.0000 -245.39811 -234.55849 10.83963 2.80298 -234.61154 853.16946
3180.0000 -246.72412 -234.48361 12.24050 2.82692 -234.09590 873.43279
3185.0000 -245.83716 -234.21028 11.62688 2.81029 -234.45409 881.48601
3190.0000 -244.71767 -233.19441 11.52326 2.86269 -233.32516 897.45737
3195.0000 -247.21060 -235.47872 11.73188 2.86669 -233.23898 889.91989
3200.0000 -245.35598 -235.12430 10.23167 2.81508 -234.35090 871.58117
3205.0000 -245.01955 -232.60977 12.40978 2.82821 -234.06811 890.77386
3210.0000 -246.80925 -234.57739 12.23185 2.84042 -233.80506 890.85864
3215.0000 -246.01825 -234.52342 11.49484 2.81302 -234.39531 878.74169
3220.0000 -246.11435 -235.99279 10.12155 2.75728 -235.59621 831.22490
3225.0000 -247.18924 -235.01117 12.17807 2.75615 -235.62049 857.35834
3230.0000 -245.83573 -235.48754 10.34818 2.74550 -235.84991 822.43664
3235.0000 -246.73648 -236.49129 10.24519 2.78255 -235.05171 851.49626
3240.0000 -246.59519 -236.51935 10.07584 2.75131 -235.72473 848.72356
3245.0000 -246.38507 -235.28825 11.09682 2.69760 -236.88196 826.62929
3250.0000 -245.61639 -236.53039 9.08600 2.76238 -235.48631 854.48110
FREEZING PROCESS: loop number 14 T-loop= 854.00000000000000
main_MD> interactions number 14 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.55195 -0.28371 6.32027
force_rgl> df(natom) -0.21117 0.49302 -0.41861
3255.0000 -247.67032 -236.75326 10.91706 2.76154 -235.50445 837.43511
3260.0000 -245.08910 -234.29677 10.79233 2.77278 -235.26218 851.18343
3265.0000 -243.85719 -232.36062 11.49657 2.85150 -233.56627 888.55781
3270.0000 -245.00188 -234.17255 10.82933 2.84320 -233.74514 890.91356
3275.0000 -245.06553 -232.75846 12.30707 2.89100 -232.71535 922.31727
3280.0000 -243.96164 -233.50451 10.45713 2.85430 -233.50601 886.40357
3285.0000 -244.71712 -232.51649 12.20063 2.84911 -233.61777 899.90014
3290.0000 -245.65762 -234.32087 11.33675 2.85700 -233.44775 908.18396
3295.0000 -244.94371 -234.32049 10.62322 2.78295 -235.04315 832.91317
3300.0000 -245.67418 -234.28706 11.38712 2.82366 -234.16612 870.46495
3305.0000 -245.63774 -234.32912 11.30862 2.85267 -233.54105 877.33627
3310.0000 -246.90501 -236.51238 10.39263 2.76758 -235.37432 854.07545
3315.0000 -246.31628 -236.88634 9.42994 2.67198 -237.43387 773.59097
3320.0000 -247.42914 -235.99854 11.43060 2.70694 -236.68073 823.03465
3325.0000 -246.60819 -236.92610 9.68209 2.70999 -236.61514 818.70968
3330.0000 -247.44937 -236.47741 10.97196 2.72932 -236.19865 830.69611
3335.0000 -245.94107 -235.62679 10.31427 2.73915 -235.98686 822.51216
3340.0000 -245.72214 -235.29940 10.42275 2.76511 -235.42749 847.26481
3345.0000 -246.73226 -235.52533 11.20693 2.76509 -235.42784 836.91614
3350.0000 -244.51136 -234.58029 9.93107 2.75528 -235.63922 853.93768
3355.0000 -245.74260 -234.50081 11.24179 2.79327 -234.82076 861.49511
3360.0000 -246.07092 -235.67191 10.39901 2.73736 -236.02539 808.21601
3365.0000 -246.45397 -235.32794 11.12603 2.79192 -234.84995 865.42935
3370.0000 -245.64222 -234.24015 11.40207 2.80492 -234.56983 871.80744
3375.0000 -247.71965 -236.73470 10.98495 2.76020 -235.53328 825.23944
3380.0000 -246.25371 -235.04960 11.20412 2.76814 -235.36226 829.07260
3385.0000 -246.19066 -233.92881 12.26185 2.81829 -234.28183 868.11909
3390.0000 -247.02495 -235.02292 12.00203 2.81610 -234.32903 900.65549
3395.0000 -245.55040 -234.05411 11.49629 2.81664 -234.31733 886.66484
3400.0000 -245.53853 -233.48525 12.05329 2.82406 -234.15752 891.03320
3405.0000 -247.96145 -236.59181 11.36964 2.76355 -235.46123 844.48910
3410.0000 -244.69778 -233.41397 11.28381 2.82625 -234.11019 884.11523
3415.0000 -245.79557 -233.14491 12.65066 2.83316 -233.96152 872.22741
3420.0000 -243.42345 -232.55532 10.86813 2.89462 -232.63724 925.63229
3425.0000 -244.52119 -233.55435 10.96685 2.92741 -231.93080 921.23720
3430.0000 -245.58531 -233.99373 11.59158 2.81791 -234.29005 894.72377
3435.0000 -245.44276 -234.86404 10.57872 2.78538 -234.99090 847.00771
3440.0000 -244.52162 -234.36334 10.15828 2.80740 -234.51643 869.06507
3445.0000 -248.28658 -237.51911 10.76746 2.74847 -235.78608 854.98827
3450.0000 -246.35872 -235.68486 10.67386 2.70239 -236.77884 806.68677
3455.0000 -245.63282 -235.20641 10.42642 2.79384 -234.80863 864.14155
3460.0000 -244.92343 -234.73979 10.18364 2.76703 -235.38604 813.93854
3465.0000 -244.83560 -233.84582 10.98978 2.78834 -234.92713 842.75570
3470.0000 -246.89478 -233.86226 13.03252 2.88124 -232.92561 913.98565
3475.0000 -243.87600 -232.27423 11.60177 2.90585 -232.39538 928.58181
3480.0000 -245.03852 -233.68369 11.35484 2.86068 -233.36841 893.02668
3485.0000 -245.25375 -234.43496 10.81879 2.84422 -233.72305 885.25668
3490.0000 -245.49366 -235.33998 10.15369 2.78201 -235.06333 847.83863
3495.0000 -245.50806 -235.03248 10.47558 2.76540 -235.42131 845.33844
3500.0000 -247.76309 -236.69177 11.07132 2.74375 -235.88766 852.29712
FREEZING PROCESS: loop number 15 T-loop= 829.00000000000000
main_MD> interactions number 15 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.10768 4.32012 -2.69316
force_rgl> df(natom) 0.70737 -1.83143 0.03173
3505.0000 -244.56192 -233.36845 11.19347 2.75792 -235.58252 853.61858
3510.0000 -246.77089 -234.95217 11.81872 2.84522 -233.70166 903.72507
3515.0000 -245.93517 -235.30927 10.62590 2.80844 -234.49406 867.45743
3520.0000 -246.10525 -234.82861 11.27663 2.76869 -235.35043 828.05237
3525.0000 -248.19080 -235.86990 12.32090 2.73490 -236.07841 835.25793
3530.0000 -247.34064 -235.82926 11.51138 2.71167 -236.57876 828.94936
3535.0000 -247.68744 -236.97131 10.71613 2.73864 -235.99769 818.61203
3540.0000 -247.63183 -236.42521 11.20662 2.71272 -236.55618 808.63595
3545.0000 -246.42361 -236.80639 9.61723 2.70392 -236.74589 802.46792
3550.0000 -246.37785 -236.89027 9.48757 2.67395 -237.39146 778.45475
3555.0000 -246.42666 -234.62125 11.80540 2.74988 -235.75571 821.15060
3560.0000 -245.78546 -237.53355 8.25191 2.71141 -236.58446 800.89909
3565.0000 -245.12944 -233.66861 11.46083 2.80718 -234.52124 853.03851
3570.0000 -247.23517 -236.76195 10.47322 2.78767 -234.94144 841.26928
3575.0000 -247.73305 -236.12909 11.60396 2.72109 -236.37588 808.71907
3580.0000 -247.32222 -236.79859 10.52364 2.69974 -236.83583 803.78404
3585.0000 -247.45848 -236.27783 11.18065 2.70313 -236.76273 811.91650
3590.0000 -247.95744 -237.38913 10.56832 2.69718 -236.89103 807.03146
3595.0000 -245.05142 -235.70022 9.35120 2.70195 -236.78830 812.76638
3600.0000 -245.50644 -236.22105 9.28538 2.75060 -235.74016 821.84774
3605.0000 -245.54241 -235.29492 10.24748 2.76522 -235.42517 853.12512
3610.0000 -249.00297 -237.77302 11.22995 2.72131 -236.37116 825.56912
3615.0000 -246.70023 -236.69586 10.00438 2.73059 -236.17122 840.25930
3620.0000 -246.43752 -234.77185 11.66567 2.73813 -236.00879 859.87532
3625.0000 -246.51143 -235.19266 11.31877 2.77250 -235.26823 853.96937
3630.0000 -246.31297 -235.26705 11.04592 2.76469 -235.43663 839.71147
3635.0000 -245.22387 -235.80811 9.41576 2.72163 -236.36433 808.06816
3640.0000 -245.24147 -234.24565 10.99581 2.83196 -233.98724 894.73410
3645.0000 -248.23669 -237.83016 10.40652 2.73248 -236.13058 844.77767
3650.0000 -246.03478 -235.29653 10.73825 2.70876 -236.64161 807.81459
3655.0000 -245.90773 -234.83998 11.06774 2.76538 -235.42176 842.35665
3660.0000 -244.96948 -235.71313 9.25635 2.77485 -235.21769 845.54318
3665.0000 -246.10347 -235.76215 10.34132 2.74400 -235.88221 839.57176
3670.0000 -246.39836 -235.30435 11.09400 2.72274 -236.34032 820.84389
3675.0000 -246.50497 -235.67045 10.83452 2.77957 -235.11597 845.70544
3680.0000 -246.40576 -234.33467 12.07109 2.77246 -235.26909 859.35980
3685.0000 -246.42939 -236.12921 10.30018 2.81682 -234.31340 884.39922
3690.0000 -245.38726 -235.50010 9.88716 2.72670 -236.25495 817.34188
3695.0000 -244.88489 -233.61884 11.26605 2.77589 -235.19517 839.91972
3700.0000 -246.87372 -236.71420 10.15952 2.81879 -234.27107 890.81644
3705.0000 -246.61955 -235.46332 11.15623 2.73045 -236.17416 824.60998
3710.0000 -246.46517 -235.71155 10.75363 2.76712 -235.38418 837.75257
3715.0000 -246.28059 -236.22037 10.06022 2.74925 -235.76924 824.73830
3720.0000 -247.77293 -237.39872 10.37421 2.73038 -236.17580 821.52503
3725.0000 -247.42675 -237.02954 10.39721 2.69784 -236.87690 808.98007
3730.0000 -248.15948 -237.33019 10.82929 2.71049 -236.60436 817.78294
3735.0000 -247.74142 -236.65469 11.08673 2.70867 -236.64350 832.98404
3740.0000 -246.80576 -235.05906 11.74670 2.69963 -236.83834 810.57449
3745.0000 -245.53819 -232.52569 13.01250 2.85883 -233.40842 904.30840
3750.0000 -244.29440 -232.88854 11.40586 2.86430 -233.29049 927.31492
FREEZING PROCESS: loop number 16 T-loop= 804.00000000000000
main_MD> interactions number 16 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25239 4.20331 1.21569
force_rgl> df(natom) 1.78920 -1.06646 1.54502
3755.0000 -245.55121 -233.87957 11.67164 2.84695 -233.66433 871.01749
3760.0000 -247.54029 -235.53786 12.00242 2.75527 -235.63961 819.01176
3765.0000 -247.93444 -237.39869 10.53575 2.74067 -235.95405 843.55206
3770.0000 -247.23272 -236.60774 10.62498 2.66667 -237.54831 801.41508
3775.0000 -246.29879 -234.71011 11.58867 2.73991 -235.97046 836.98859
3780.0000 -246.94679 -236.98593 9.96086 2.72010 -236.39727 813.97884
3785.0000 -247.54975 -237.19849 10.35126 2.70105 -236.80757 811.89847
3790.0000 -246.79764 -237.32239 9.47525 2.67315 -237.40880 778.25431
3795.0000 -250.04178 -239.91668 10.12510 2.65443 -237.81204 793.95463
3800.0000 -246.63513 -236.63831 9.99682 2.65317 -237.83921 784.35042
3805.0000 -247.69434 -236.32278 11.37155 2.70990 -236.61703 822.52783
3810.0000 -245.00959 -235.37531 9.63428 2.77814 -235.14687 870.73320
3815.0000 -248.47139 -238.02782 10.44357 2.73652 -236.04340 824.72279
3820.0000 -247.53693 -238.53437 9.00256 2.61268 -238.71153 757.95409
3825.0000 -246.28743 -236.11629 10.17113 2.64432 -238.02980 779.75662
3830.0000 -246.94661 -236.47572 10.47088 2.72213 -236.35358 819.58181
3835.0000 -247.34689 -236.74837 10.59852 2.69133 -237.01714 785.81592
3840.0000 -247.07343 -237.04476 10.02867 2.67598 -237.34782 787.87343
3845.0000 -246.55710 -236.91315 9.64395 2.67765 -237.31181 800.89317
3850.0000 -246.80677 -236.10733 10.69944 2.68637 -237.12395 780.40621
3855.0000 -247.01867 -238.52283 8.49583 2.69191 -237.00451 802.64607
3860.0000 -246.81858 -238.09105 8.72753 2.61248 -238.71577 764.08235
3865.0000 -247.27280 -236.80200 10.47080 2.66504 -237.58341 780.89513
3870.0000 -246.76238 -236.39171 10.37067 2.71212 -236.56922 818.78628
3875.0000 -247.89474 -238.67095 9.22379 2.66474 -237.58994 782.73423
3880.0000 -247.78702 -236.28898 11.49805 2.68107 -237.23810 784.92207
3885.0000 -246.10189 -234.34747 11.75442 2.75586 -235.62670 840.94040
3890.0000 -246.31603 -236.69372 9.62231 2.74672 -235.82367 837.77002
3895.0000 -244.73381 -232.54964 12.18417 2.81505 -234.35158 896.84253
3900.0000 -246.08579 -235.00368 11.08211 2.84711 -233.66085 909.41786
3905.0000 -249.49180 -237.41858 12.07323 2.71785 -236.44579 839.81377
3910.0000 -246.80870 -237.11770 9.69100 2.68233 -237.21090 803.36427
3915.0000 -247.96027 -238.00713 9.95314 2.68261 -237.20484 801.06100
3920.0000 -247.96529 -238.09445 9.87085 2.64850 -237.93971 757.25028
3925.0000 -248.09521 -237.98196 10.11326 2.66060 -237.67918 774.68650
3930.0000 -247.86193 -239.29410 8.56783 2.60454 -238.88699 742.62997
3935.0000 -249.67092 -238.73295 10.93796 2.60582 -238.85939 741.41076
3940.0000 -249.29148 -238.28699 11.00450 2.65941 -237.70484 790.78007
3945.0000 -248.92241 -239.00425 9.91815 2.61465 -238.66916 750.78637
3950.0000 -247.81757 -238.25870 9.55887 2.62342 -238.48018 765.14788
3955.0000 -248.85677 -239.16224 9.69453 2.63070 -238.32329 758.28076
3960.0000 -246.91622 -238.08973 8.82649 2.59956 -238.99416 734.65851
3965.0000 -246.85927 -237.62959 9.22969 2.64852 -237.93945 754.17441
3970.0000 -248.83045 -235.93825 12.89220 2.70929 -236.63022 813.79955
3975.0000 -247.75214 -236.78702 10.96513 2.70253 -236.77565 813.74502
3980.0000 -248.25385 -237.42035 10.83349 2.67995 -237.26221 798.26417
3985.0000 -247.08541 -237.03774 10.04767 2.64413 -238.03401 778.52482
3990.0000 -249.59499 -239.14404 10.45095 2.64263 -238.06616 770.73545
3995.0000 -248.59408 -240.28969 8.30439 2.59107 -239.17707 727.54940
4000.0000 -248.01064 -237.51339 10.49725 2.64911 -237.92663 772.63823
FREEZING PROCESS: loop number 17 T-loop= 779.00000000000000
main_MD> interactions number 17 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84009 1.48008 0.16934
force_rgl> df(natom) -1.13949 0.88909 0.38362
4005.0000 -249.42556 -238.29287 11.13269 2.63038 -238.33028 763.30764
4010.0000 -247.02150 -237.97665 9.04484 2.67653 -237.33594 775.25227
4015.0000 -247.97416 -238.48401 9.49015 2.60669 -238.84059 725.26321
4020.0000 -247.40621 -238.43291 8.97330 2.61588 -238.64256 762.63529
4025.0000 -247.78473 -236.20032 11.58441 2.65958 -237.70103 766.04450
4030.0000 -245.63822 -234.94301 10.69521 2.74113 -235.94405 841.38210
4035.0000 -247.65241 -236.70469 10.94772 2.79144 -234.86022 874.15272
4040.0000 -247.81138 -236.65348 11.15790 2.67153 -237.44364 795.57076
4045.0000 -247.06811 -235.32351 11.74460 2.68735 -237.10286 787.92297
4050.0000 -248.22724 -235.73131 12.49594 2.70055 -236.81840 825.52517
4055.0000 -248.62933 -237.71129 10.91804 2.69924 -236.84653 805.81693
4060.0000 -248.53691 -238.05227 10.48464 2.69304 -236.98031 805.86754
4065.0000 -248.56989 -239.03660 9.53329 2.64452 -238.02558 761.13388
4070.0000 -248.21567 -238.31545 9.90022 2.59972 -238.99078 754.20009
4075.0000 -246.58358 -237.37991 9.20368 2.64861 -237.93734 793.19594
4080.0000 -246.70206 -236.62790 10.07416 2.70117 -236.80500 782.94955
4085.0000 -248.73954 -239.85338 8.88616 2.66221 -237.64445 770.02646
4090.0000 -247.69267 -238.03626 9.65641 2.65107 -237.88433 773.38256
4095.0000 -247.69157 -237.70243 9.98914 2.68673 -237.11610 807.97129
4100.0000 -247.13015 -236.84996 10.28019 2.68423 -237.17012 800.02226
4105.0000 -249.70308 -238.77329 10.92980 2.66070 -237.67690 766.59577
4110.0000 -248.41989 -237.65716 10.76273 2.67349 -237.40132 810.63090
4115.0000 -247.10527 -236.16523 10.94003 2.65343 -237.83366 773.72309
4120.0000 -248.86041 -236.64832 12.21209 2.72464 -236.29938 819.43151
4125.0000 -249.36383 -238.30024 11.06359 2.63278 -238.27854 766.22413
4130.0000 -247.69357 -238.90402 8.78956 2.64290 -238.06052 773.01935
4135.0000 -250.08389 -237.84044 12.24345 2.66927 -237.49233 786.99821
4140.0000 -247.72748 -236.67757 11.04991 2.67157 -237.44276 804.62046
4145.0000 -248.83959 -238.31440 10.52519 2.64338 -238.05020 791.94563
4150.0000 -248.10051 -238.32463 9.77588 2.64629 -237.98743 776.59781
4155.0000 -247.78742 -236.90715 10.88027 2.68106 -237.23835 807.45950
4160.0000 -247.59650 -237.46121 10.13528 2.68186 -237.22109 806.48856
4165.0000 -249.16402 -240.12298 9.04103 2.65432 -237.81442 769.69466
4170.0000 -249.71473 -240.62953 9.08520 2.55662 -239.91925 696.31108
4175.0000 -249.02673 -239.37612 9.65061 2.53468 -240.39200 712.56432
4180.0000 -247.75091 -238.36126 9.38965 2.64621 -237.98916 771.81981
4185.0000 -247.23165 -237.50841 9.72325 2.61429 -238.67694 744.09360
4190.0000 -249.73312 -239.15925 10.57387 2.55276 -240.00248 703.65151
4195.0000 -249.67360 -240.88459 8.78901 2.56500 -239.73882 726.73962
4200.0000 -248.11304 -239.56197 8.55106 2.52572 -240.58503 688.19480
4205.0000 -249.61505 -238.53851 11.07654 2.57380 -239.54906 738.30908
4210.0000 -248.57815 -238.56827 10.00988 2.59844 -239.01841 746.82439
4215.0000 -249.35995 -239.39136 9.96859 2.63677 -238.19254 764.84188
4220.0000 -246.33896 -236.69923 9.63973 2.63522 -238.22581 768.31019
4225.0000 -248.48759 -238.61438 9.87321 2.65960 -237.70056 774.38283
4230.0000 -248.43973 -238.89924 9.54049 2.64582 -237.99754 777.04824
4235.0000 -245.86389 -235.98601 9.87788 2.66881 -237.50219 772.40988
4240.0000 -247.44521 -236.56603 10.87918 2.74678 -235.82246 845.92908
4245.0000 -247.59830 -237.27327 10.32503 2.65201 -237.86407 795.07706
4250.0000 -247.21508 -235.69107 11.52400 2.72717 -236.24496 789.36544
FREEZING PROCESS: loop number 18 T-loop= 754.00000000000000
main_MD> interactions number 18 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.56410 2.47448 -0.39482
force_rgl> df(natom) 4.67267 8.11625 0.16036
4255.0000 -246.76746 -236.28140 10.48607 2.77411 -235.23370 848.41313
4260.0000 -248.88600 -238.27762 10.60838 2.66497 -237.58502 797.38285
4265.0000 -249.24641 -240.84865 8.39776 2.59923 -239.00130 736.92374
4270.0000 -248.55087 -240.46167 8.08920 2.55140 -240.03180 705.34154
4275.0000 -249.40897 -239.34507 10.06390 2.53919 -240.29471 690.10141
4280.0000 -248.09757 -238.86083 9.23674 2.61289 -238.70688 754.07166
4285.0000 -249.50210 -239.64869 9.85341 2.58043 -239.40642 713.81318
4290.0000 -249.07681 -240.28599 8.79082 2.59681 -239.05348 747.53095
4295.0000 -248.56263 -238.87672 9.68590 2.59351 -239.12457 749.78614
4300.0000 -248.15789 -237.29551 10.86238 2.61783 -238.60056 743.29564
4305.0000 -247.78825 -237.55377 10.23448 2.62165 -238.51829 774.14447
4310.0000 -248.69425 -238.64354 10.05071 2.63312 -238.27123 747.37809
4315.0000 -248.33095 -239.47130 8.85965 2.58280 -239.35534 717.26259
4320.0000 -248.84593 -238.48257 10.36336 2.57759 -239.46760 747.38925
4325.0000 -249.46791 -237.77867 11.68924 2.63216 -238.29180 775.77353
4330.0000 -249.11738 -238.66281 10.45457 2.63107 -238.31522 755.30400
4335.0000 -248.31295 -239.08730 9.22565 2.61841 -238.58816 753.97212
4340.0000 -248.03038 -238.73005 9.30033 2.58195 -239.37365 726.13014
4345.0000 -247.86325 -239.11462 8.74863 2.60863 -238.79869 735.54950
4350.0000 -248.96588 -239.82294 9.14293 2.58177 -239.37754 728.64389
4355.0000 -249.35472 -239.29256 10.06216 2.58504 -239.30705 752.19174
4360.0000 -248.93318 -237.56756 11.36562 2.62880 -238.36416 759.07329
4365.0000 -249.59601 -238.36179 11.23422 2.63514 -238.22760 769.38533
4370.0000 -248.86654 -239.81450 9.05204 2.59015 -239.19701 750.05694
4375.0000 -248.50678 -239.19448 9.31231 2.57371 -239.55109 737.00444
4380.0000 -248.74794 -239.12083 9.62711 2.56208 -239.80169 726.29267
4385.0000 -248.21524 -237.80458 10.41066 2.68099 -237.23982 811.04905
4390.0000 -247.87564 -238.06806 9.80758 2.60959 -238.77802 749.44186
4395.0000 -248.29894 -238.38193 9.91701 2.62583 -238.42826 762.04154
4400.0000 -249.33850 -240.01686 9.32164 2.61003 -238.76872 734.23706
4405.0000 -248.11737 -238.04481 10.07256 2.60199 -238.94186 738.36541
4410.0000 -249.31191 -239.91976 9.39215 2.58046 -239.40572 727.14351
4415.0000 -250.88174 -240.67906 10.20268 2.53425 -240.40134 709.36116
4420.0000 -249.41872 -239.33642 10.08230 2.54539 -240.16123 727.54869
4425.0000 -248.09485 -239.28868 8.80617 2.61739 -238.60994 762.47120
4430.0000 -249.84975 -237.84074 12.00901 2.60479 -238.88148 752.50565
4435.0000 -248.42680 -239.09887 9.32793 2.60858 -238.79988 761.80545
4440.0000 -249.03791 -239.01940 10.01851 2.57720 -239.47594 742.87620
4445.0000 -248.21419 -237.68788 10.52630 2.62785 -238.38460 756.92553
4450.0000 -247.75282 -238.58365 9.16918 2.63519 -238.22648 750.25667
4455.0000 -248.66862 -238.24985 10.41877 2.60080 -238.96751 750.50758
4460.0000 -247.88125 -239.25654 8.62471 2.60429 -238.89237 735.32508
4465.0000 -247.21159 -237.04114 10.17046 2.60739 -238.82542 723.43469
4470.0000 -247.34755 -237.01039 10.33716 2.66522 -237.57950 769.83610
4475.0000 -246.28305 -236.65905 9.62400 2.66067 -237.67766 778.85364
4480.0000 -247.33100 -237.39764 9.93337 2.68978 -237.05046 803.04741
4485.0000 -248.75481 -238.81661 9.93820 2.62623 -238.41955 765.87862
4490.0000 -248.01420 -238.47348 9.54071 2.62460 -238.45470 774.30529
4495.0000 -248.30425 -238.12293 10.18132 2.63593 -238.21070 777.67203
4500.0000 -249.37914 -240.18208 9.19706 2.61493 -238.66307 753.85819
FREEZING PROCESS: loop number 19 T-loop= 729.00000000000000
main_MD> interactions number 19 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83991 -3.81537 -0.49971
force_rgl> df(natom) -0.15370 1.24916 -3.14591
4505.0000 -249.53054 -241.13704 8.39350 2.49953 -241.14928 669.50546
4510.0000 -250.02801 -242.20345 7.82456 2.52111 -240.68433 711.39690
4515.0000 -250.08386 -240.47670 9.60715 2.47370 -241.70565 693.21964
4520.0000 -249.82940 -240.13663 9.69277 2.59351 -239.12454 751.69844
4525.0000 -250.00115 -240.51940 9.48175 2.49722 -241.19913 695.79026
4530.0000 -250.93618 -241.00585 9.93033 2.53074 -240.47677 709.93803
4535.0000 -248.84040 -239.36775 9.47265 2.54793 -240.10643 723.27142
4540.0000 -248.45895 -238.58850 9.87045 2.59074 -239.18414 749.12698
4545.0000 -248.49527 -238.78188 9.71339 2.61407 -238.68154 761.38191
4550.0000 -249.24374 -240.81815 8.42559 2.56064 -239.83276 722.64381
4555.0000 -250.71476 -241.18694 9.52782 2.50313 -241.07163 693.26143
4560.0000 -250.17647 -239.18753 10.98894 2.55716 -239.90769 719.17823
4565.0000 -248.70987 -239.70763 9.00224 2.60012 -238.98213 756.19212
4570.0000 -247.55114 -237.97205 9.57910 2.58465 -239.31544 721.81262
4575.0000 -246.02164 -236.95895 9.06268 2.66797 -237.52033 782.96548
4580.0000 -246.48238 -236.90009 9.58229 2.69759 -236.88226 772.75720
4585.0000 -247.82184 -237.80013 10.02171 2.70045 -236.82064 791.19783
4590.0000 -247.60044 -239.04087 8.55957 2.62071 -238.53846 752.88768
4595.0000 -247.70512 -238.67869 9.02644 2.58043 -239.40622 722.36964
4600.0000 -248.13089 -238.49370 9.63719 2.61882 -238.57924 751.14350
4605.0000 -249.27068 -239.88076 9.38992 2.62211 -238.50827 744.88893
4610.0000 -250.23340 -239.76819 10.46520 2.58697 -239.26534 730.70548
4615.0000 -249.79316 -239.71531 10.07785 2.56974 -239.63661 707.64134
4620.0000 -249.05346 -239.25099 9.80247 2.52581 -240.58299 693.13827
4625.0000 -247.71841 -238.35694 9.36147 2.61351 -238.69354 743.51067
4630.0000 -247.52036 -236.78242 10.73794 2.64127 -238.09553 754.22765
4635.0000 -245.24277 -236.19676 9.04601 2.70121 -236.80420 797.88658
4640.0000 -246.70808 -236.23545 10.47263 2.71295 -236.55130 809.96715
4645.0000 -250.24910 -240.79857 9.45054 2.63612 -238.20657 768.08481
4650.0000 -249.05932 -240.56057 8.49875 2.52005 -240.70710 700.66545
4655.0000 -249.36149 -241.22282 8.13867 2.47876 -241.59668 661.91444
4660.0000 -247.92616 -238.54900 9.37716 2.53888 -240.30155 708.51269
4665.0000 -247.19207 -237.96804 9.22403 2.64889 -237.93147 771.24840
4670.0000 -250.84781 -240.91488 9.93293 2.58960 -239.20876 742.96781
4675.0000 -250.97654 -241.15368 9.82286 2.48464 -241.47010 697.77450
4680.0000 -248.68003 -239.65041 9.02962 2.52910 -240.51226 709.51822
4685.0000 -249.14170 -239.29894 9.84277 2.59044 -239.19073 743.05435
4690.0000 -250.02059 -240.09934 9.92125 2.54710 -240.12450 706.40351
4695.0000 -249.28629 -240.68432 8.60197 2.54550 -240.15878 717.01876
4700.0000 -250.28939 -240.91364 9.37575 2.51569 -240.80120 696.06611
4705.0000 -250.38040 -241.55263 8.82777 2.51308 -240.85743 704.86309
4710.0000 -250.64245 -241.92311 8.71934 2.48358 -241.49281 685.99696
4715.0000 -247.29466 -237.16178 10.13288 2.56122 -239.82014 731.82477
4720.0000 -249.16423 -240.12936 9.03487 2.59189 -239.15932 752.58672
4725.0000 -250.86754 -241.33772 9.52982 2.53691 -240.34388 723.31910
4730.0000 -250.00458 -240.68238 9.32220 2.48023 -241.56509 697.39887
4735.0000 -248.87876 -238.99956 9.87921 2.56405 -239.75927 741.82359
4740.0000 -249.05695 -239.74236 9.31459 2.58135 -239.38652 740.89605
4745.0000 -248.91135 -239.99199 8.91936 2.55045 -240.05216 731.50135
4750.0000 -249.26382 -239.84945 9.41438 2.56188 -239.80591 736.50156
FREEZING PROCESS: loop number 20 T-loop= 704.00000000000000
main_MD> interactions number 20 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46148 0.86655 1.51821
force_rgl> df(natom) 4.65208 0.30445 0.10008
4755.0000 -249.45320 -241.21307 8.24013 2.53966 -240.28461 701.79494
4760.0000 -250.40326 -240.81209 9.59117 2.48270 -241.51179 689.82973
4765.0000 -251.21422 -240.54673 10.66748 2.51284 -240.86248 690.95053
4770.0000 -250.12284 -241.67204 8.45081 2.47745 -241.62501 682.63514
4775.0000 -249.33304 -241.11308 8.21996 2.52881 -240.51834 701.25960
4780.0000 -249.04248 -239.90310 9.13938 2.52730 -240.55089 685.32504
4785.0000 -248.83904 -240.28577 8.55327 2.56894 -239.65376 737.17560
4790.0000 -250.13144 -240.37137 9.76007 2.53129 -240.46495 717.15281
4795.0000 -247.09481 -237.69771 9.39710 2.56254 -239.79185 732.88164
4800.0000 -247.77710 -237.64731 10.12979 2.62949 -238.34944 754.39364
4805.0000 -248.73335 -238.25289 10.48046 2.62671 -238.40923 756.53915
4810.0000 -249.58442 -239.55084 10.03358 2.64177 -238.08476 759.10188
4815.0000 -249.65528 -240.24010 9.41519 2.57070 -239.61598 733.50857
4820.0000 -251.14956 -242.26165 8.88791 2.48894 -241.37738 681.70753
4825.0000 -250.16631 -242.34203 7.82428 2.45593 -242.08862 669.79862
4830.0000 -251.54110 -242.01024 9.53086 2.44904 -242.23707 670.75589
4835.0000 -248.86857 -240.65281 8.21576 2.47700 -241.63466 689.34822
4840.0000 -249.79972 -240.88630 8.91342 2.52954 -240.50274 718.07564
4845.0000 -249.11924 -240.48148 8.63776 2.50502 -241.03088 694.82031
4850.0000 -248.69717 -239.47483 9.22234 2.53308 -240.42643 701.47272
4855.0000 -249.85996 -240.83071 9.02924 2.53693 -240.34358 701.78439
4860.0000 -248.86714 -239.76901 9.09813 2.53965 -240.28500 696.30464
4865.0000 -248.98760 -239.48652 9.50108 2.57303 -239.56580 734.10423
4870.0000 -249.70559 -241.67218 8.03341 2.53049 -240.48224 703.20122
4875.0000 -249.88895 -240.85877 9.03017 2.54737 -240.11857 726.62592
4880.0000 -249.35454 -240.02188 9.33266 2.52501 -240.60025 707.82814
4885.0000 -250.50306 -242.90191 7.60114 2.45350 -242.14090 659.33960
4890.0000 -249.33889 -241.00305 8.33584 2.46496 -241.89400 669.88084
4895.0000 -249.71367 -240.77445 8.93922 2.51701 -240.77272 701.21385
4900.0000 -249.22044 -239.43914 9.78130 2.52617 -240.57536 717.08985
4905.0000 -248.52349 -239.44335 9.08014 2.56904 -239.65171 736.23538
4910.0000 -249.02085 -238.56336 10.45749 2.62030 -238.54745 750.25145
4915.0000 -250.33851 -241.38446 8.95405 2.55515 -239.95096 717.16315
4920.0000 -250.86342 -240.96071 9.90271 2.50387 -241.05566 684.33682
4925.0000 -250.65468 -242.10625 8.54844 2.48024 -241.56495 671.45403
4930.0000 -249.90446 -241.41573 8.48873 2.51722 -240.76805 690.06700
4935.0000 -250.57040 -240.72735 9.84306 2.49420 -241.26414 692.87326
4940.0000 -251.49117 -242.66285 8.82832 2.47160 -241.75092 674.58350
4945.0000 -248.83333 -239.56604 9.26730 2.51059 -240.91099 674.21169
4950.0000 -250.05297 -241.20333 8.84963 2.56271 -239.78798 727.43636
4955.0000 -250.19916 -241.55372 8.64544 2.48200 -241.52694 674.87862
4960.0000 -249.06466 -241.14014 7.92451 2.50916 -240.94184 701.11103
4965.0000 -250.46926 -241.53042 8.93884 2.51484 -240.81946 711.27905
4970.0000 -251.18081 -242.68365 8.49716 2.47304 -241.72002 675.42014
4975.0000 -251.55369 -244.79095 6.76274 2.40565 -243.17193 633.38616
4980.0000 -251.50765 -242.85056 8.65708 2.36520 -244.04334 607.85542
4985.0000 -249.73445 -240.58515 9.14931 2.47605 -241.65519 687.96207
4990.0000 -250.72736 -241.59750 9.12986 2.50752 -240.97717 698.55658
4995.0000 -252.33122 -243.30530 9.02592 2.43824 -242.46969 656.31163
5000.0000 -250.30556 -241.40442 8.90114 2.43713 -242.49365 656.36488
FREEZING PROCESS: loop number 21 T-loop= 679.00000000000000
main_MD> interactions number 21 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.94450 2.41046 -4.13137
force_rgl> df(natom) 0.25684 0.98555 -1.33463
5005.0000 -250.62443 -240.42844 10.19598 2.49371 -241.27474 685.84105
5010.0000 -249.60058 -241.17787 8.42271 2.50563 -241.01777 678.78447
5015.0000 -249.29965 -238.55738 10.74227 2.55165 -240.02634 702.70093
5020.0000 -246.95733 -238.70579 8.25154 2.61113 -238.74502 747.19111
5025.0000 -249.04590 -239.62060 9.42530 2.60758 -238.82148 746.79445
5030.0000 -251.17472 -241.66153 9.51319 2.53840 -240.31192 703.87361
5035.0000 -250.39723 -242.54326 7.85397 2.42271 -242.80425 634.37149
5040.0000 -249.82079 -242.15879 7.66200 2.44015 -242.42855 651.53393
5045.0000 -250.83608 -242.57998 8.25610 2.42885 -242.67209 635.62763
5050.0000 -249.69214 -242.27099 7.42116 2.43939 -242.44490 638.22280
5055.0000 -249.71119 -242.05553 7.65565 2.43759 -242.48375 658.58729
5060.0000 -249.22971 -240.26778 8.96193 2.49057 -241.34223 699.08735
5065.0000 -248.84389 -241.23630 7.60759 2.50720 -240.98392 696.82765
5070.0000 -248.96105 -240.18575 8.77530 2.52036 -240.70050 699.88227
5075.0000 -249.13809 -239.36023 9.77785 2.55680 -239.91549 713.64446
5080.0000 -249.16291 -241.24689 7.91601 2.53950 -240.28814 717.07061
5085.0000 -249.27793 -240.44897 8.82896 2.49791 -241.18406 673.03968
5090.0000 -249.12864 -240.32073 8.80790 2.54522 -240.16498 733.28113
5095.0000 -251.95784 -243.77422 8.18361 2.45363 -242.13820 669.75324
5100.0000 -250.91897 -243.46336 7.45561 2.37761 -243.77594 616.54143
5105.0000 -250.66903 -241.62848 9.04055 2.40095 -243.27312 618.79881
5110.0000 -250.02172 -241.68129 8.34042 2.47912 -241.58888 701.14289
5115.0000 -251.75064 -243.66160 8.08904 2.40749 -243.13223 631.37913
5120.0000 -250.68130 -241.29274 9.38856 2.45391 -242.13217 683.56333
5125.0000 -250.52670 -240.77530 9.75140 2.52149 -240.67613 694.26605
5130.0000 -250.34499 -241.46494 8.88005 2.47465 -241.68518 687.76094
5135.0000 -250.86705 -241.88457 8.98248 2.51032 -240.91684 689.66831
5140.0000 -250.63496 -242.53374 8.10122 2.43951 -242.44228 658.43093
5145.0000 -250.98798 -242.12284 8.86515 2.42143 -242.83186 643.07924
5150.0000 -252.30542 -244.04093 8.26450 2.42209 -242.81775 652.30105
5155.0000 -250.01131 -242.66008 7.35122 2.39376 -243.42809 634.70856
5160.0000 -250.82855 -242.43262 8.39593 2.43641 -242.50905 664.37746
5165.0000 -250.70228 -241.71477 8.98751 2.45669 -242.07225 666.59717
5170.0000 -251.87508 -243.64446 8.23062 2.41046 -243.06822 619.20028
5175.0000 -250.37901 -242.38509 7.99392 2.44093 -242.41181 664.35325
5180.0000 -250.28495 -243.08624 7.19871 2.42069 -242.84774 669.27475
5185.0000 -251.65923 -242.67387 8.98536 2.43242 -242.59516 666.34966
5190.0000 -250.78334 -242.78392 7.99941 2.41766 -242.91302 648.66437
5195.0000 -250.10906 -241.77347 8.33559 2.43809 -242.47288 647.77597
5200.0000 -251.32758 -243.02074 8.30684 2.46398 -241.91512 686.66965
5205.0000 -249.77125 -242.11106 7.66019 2.47333 -241.71368 666.41043
5210.0000 -251.39994 -242.35829 9.04164 2.45237 -242.16537 654.24593
5215.0000 -250.25335 -241.03841 9.21494 2.49462 -241.25500 706.33753
5220.0000 -250.17946 -240.76169 9.41777 2.49570 -241.23183 681.91671
5225.0000 -248.58554 -240.18654 8.39899 2.53765 -240.32796 694.47838
5230.0000 -251.22239 -243.92090 7.30149 2.47147 -241.75389 675.62631
5235.0000 -251.13405 -242.91025 8.22379 2.38838 -243.54395 632.24633
5240.0000 -250.51192 -242.34752 8.16440 2.43912 -242.45072 658.23907
5245.0000 -249.96029 -241.60461 8.35568 2.47767 -241.62023 672.56182
5250.0000 -249.72292 -240.97580 8.74711 2.48307 -241.50394 680.66029
FREEZING PROCESS: loop number 22 T-loop= 654.00000000000000
main_MD> interactions number 22 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31295 4.32030 -2.14727
force_rgl> df(natom) -4.66179 1.41288 1.62474
5255.0000 -249.62803 -241.78388 7.84415 2.48194 -241.52814 677.46265
5260.0000 -249.73188 -240.81631 8.91557 2.47898 -241.59196 658.76454
5265.0000 -251.44837 -243.13427 8.31410 2.46401 -241.91446 657.16846
5270.0000 -252.22384 -244.62721 7.59663 2.38081 -243.70705 600.68782
5275.0000 -251.00773 -241.89737 9.11036 2.39894 -243.31650 629.22623
5280.0000 -251.56466 -242.75166 8.81300 2.43002 -242.64690 651.51635
5285.0000 -252.23227 -244.39194 7.84033 2.41623 -242.94396 648.98461
5290.0000 -252.89209 -244.94675 7.94533 2.34994 -244.37198 610.63692
5295.0000 -252.18479 -243.02553 9.15926 2.39505 -243.40026 622.42079
5300.0000 -252.01850 -243.80578 8.21273 2.39513 -243.39856 637.46420
5305.0000 -249.31948 -240.54695 8.77254 2.42835 -242.68279 654.11776
5310.0000 -248.55258 -240.50441 8.04817 2.55901 -239.86789 707.12686
5315.0000 -249.57298 -240.90228 8.67069 2.51689 -240.77522 697.54766
5320.0000 -249.62360 -241.51828 8.10533 2.51475 -240.82132 698.35117
5325.0000 -249.89631 -240.89442 9.00189 2.51211 -240.87821 691.05053
5330.0000 -250.22113 -242.46157 7.75956 2.43818 -242.47093 642.55867
5335.0000 -250.05799 -241.49636 8.56163 2.44025 -242.42635 637.69171
5340.0000 -250.34798 -241.44245 8.90553 2.50293 -241.07604 685.74372
5345.0000 -251.05777 -241.69347 9.36430 2.47418 -241.69534 670.36630
5350.0000 -252.56850 -245.30277 7.26573 2.39484 -243.40481 647.59000
5355.0000 -253.19658 -245.45452 7.74206 2.31510 -245.12258 606.68029
5360.0000 -252.32020 -243.03402 9.28618 2.35787 -244.20125 629.81636
5365.0000 -252.15362 -243.22530 8.92832 2.39492 -243.40297 624.28360
5370.0000 -250.86615 -242.95223 7.91391 2.39412 -243.42023 623.13938
5375.0000 -250.81325 -242.13857 8.67468 2.42589 -242.73589 647.28793
5380.0000 -249.46469 -241.77146 7.69323 2.46700 -241.85020 679.17802
5385.0000 -250.49910 -242.04201 8.45709 2.45776 -242.04910 653.26501
5390.0000 -248.97319 -240.62931 8.34388 2.49757 -241.19152 677.97228
5395.0000 -249.61585 -239.89769 9.71816 2.56300 -239.78178 719.49014
5400.0000 -250.17137 -241.13720 9.03418 2.51762 -240.75955 704.42280
5405.0000 -249.96628 -240.48671 9.47956 2.52679 -240.56200 694.38791
5410.0000 -250.80958 -242.60307 8.20651 2.45386 -242.13328 656.09070
5415.0000 -249.34160 -241.56137 7.78022 2.43603 -242.51726 640.98638
5420.0000 -251.17162 -242.26739 8.90423 2.46702 -241.84974 670.74866
5425.0000 -250.94433 -243.22673 7.71761 2.42269 -242.80465 651.65991
5430.0000 -251.32723 -242.99954 8.32769 2.41349 -243.00293 649.34937
5435.0000 -250.88059 -242.23612 8.64447 2.44489 -242.32644 666.20786
5440.0000 -251.94393 -243.83586 8.10807 2.43603 -242.51742 653.37632
5445.0000 -251.07235 -242.70230 8.37005 2.40558 -243.17342 621.81456
5450.0000 -251.81294 -243.01867 8.79427 2.43876 -242.45845 647.45236
5455.0000 -249.73174 -241.39212 8.33962 2.40704 -243.14195 635.06371
5460.0000 -250.57493 -242.06655 8.50837 2.45407 -242.12869 653.11473
5465.0000 -251.87954 -244.29892 7.58062 2.40738 -243.13447 627.49938
5470.0000 -250.08123 -242.22055 7.86067 2.41355 -243.00154 641.66162
5475.0000 -251.45615 -242.47272 8.98344 2.42015 -242.85945 640.58453
5480.0000 -251.08089 -241.94469 9.13620 2.44779 -242.26406 663.70903
5485.0000 -249.30712 -240.35683 8.95030 2.50820 -240.96251 678.89650
5490.0000 -250.44567 -242.48878 7.95689 2.47246 -241.73246 641.57828
5495.0000 -252.69115 -244.37214 8.31901 2.40800 -243.12116 624.09415
5500.0000 -251.19477 -242.91886 8.27591 2.36733 -243.99741 626.11640
FREEZING PROCESS: loop number 23 T-loop= 629.00000000000000
main_MD> interactions number 23 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.17486 -3.94807 -2.70222
force_rgl> df(natom) -0.92203 -0.78604 -0.62815
5505.0000 -251.01074 -242.68195 8.32879 2.45451 -242.11909 673.59155
5510.0000 -250.74775 -242.97701 7.77074 2.41510 -242.96824 640.50112
5515.0000 -250.37072 -242.62302 7.74770 2.42927 -242.66305 643.79040
5520.0000 -251.67013 -244.21402 7.45611 2.38866 -243.53791 636.73583
5525.0000 -249.92873 -241.75680 8.17193 2.39500 -243.40122 601.34686
5530.0000 -250.71750 -242.45166 8.26584 2.39169 -243.47264 614.87894
5535.0000 -251.38571 -243.63150 7.75421 2.41354 -243.00182 624.72112
5540.0000 -250.93451 -242.24389 8.69062 2.39811 -243.33439 644.82605
5545.0000 -250.95564 -242.10789 8.84775 2.47966 -241.57742 671.08336
5550.0000 -251.41656 -242.72024 8.69632 2.42172 -242.82568 629.76432
5555.0000 -251.32393 -243.20372 8.12020 2.41778 -242.91060 645.51970
5560.0000 -251.56719 -242.95687 8.61032 2.36997 -243.94055 626.43415
5565.0000 -252.65714 -245.07775 7.57939 2.37075 -243.92364 611.68780
5570.0000 -252.09720 -243.75505 8.34215 2.34451 -244.48912 614.19948
5575.0000 -249.13745 -242.66072 6.47674 2.39397 -243.42350 632.67207
5580.0000 -250.56925 -242.01805 8.55120 2.45158 -242.18229 660.93357
5585.0000 -251.98258 -242.74240 9.24017 2.44350 -242.35639 648.01169
5590.0000 -251.80584 -244.66630 7.13954 2.39627 -243.37398 615.50660
5595.0000 -250.42466 -243.22072 7.20393 2.37157 -243.90599 602.42120
5600.0000 -251.70976 -243.62862 8.08115 2.44488 -242.32674 658.34321
5605.0000 -251.43861 -244.16208 7.27652 2.34732 -244.42853 596.15942
5610.0000 -250.95974 -242.02075 8.93899 2.42731 -242.70525 657.71609
5615.0000 -250.74398 -242.68347 8.06051 2.42534 -242.74760 646.30151
5620.0000 -251.48698 -244.55556 6.93142 2.39102 -243.48697 611.02141
5625.0000 -251.39823 -242.39580 9.00243 2.37461 -243.84047 607.70390
5630.0000 -251.72780 -243.81176 7.91604 2.38020 -243.72023 609.50998
5635.0000 -251.70079 -242.95914 8.74165 2.38220 -243.67708 623.85963
5640.0000 -252.19693 -244.24156 7.95537 2.37702 -243.78862 605.25323
5645.0000 -251.91144 -242.41068 9.50075 2.39312 -243.44182 630.20438
5650.0000 -250.30857 -242.25894 8.04963 2.45842 -242.03499 664.23080
5655.0000 -251.31316 -243.16145 8.15172 2.45770 -242.05049 672.17288
5660.0000 -251.18159 -242.46993 8.71167 2.41672 -242.93332 629.86598
5665.0000 -251.99255 -244.04355 7.94900 2.39556 -243.38929 625.69141
5670.0000 -251.34862 -242.14870 9.19992 2.37152 -243.90707 603.33736
5675.0000 -252.61019 -243.93429 8.67589 2.40024 -243.28850 638.28364
5680.0000 -252.32233 -244.51484 7.80749 2.35055 -244.35889 621.35763
5685.0000 -254.47096 -247.14919 7.32177 2.27068 -246.07973 584.60378
5690.0000 -253.28769 -246.34272 6.94497 2.23432 -246.86305 552.71581
5695.0000 -252.52078 -244.97389 7.54689 2.31683 -245.08531 604.41110
5700.0000 -251.50706 -244.14888 7.35817 2.32162 -244.98228 600.92415
5705.0000 -252.26670 -244.82448 7.44222 2.30693 -245.29862 570.74839
5710.0000 -252.04010 -244.69545 7.34466 2.33988 -244.58883 587.68060
5715.0000 -250.62952 -242.66699 7.96253 2.37601 -243.81032 618.57279
5720.0000 -252.73586 -244.99877 7.73710 2.41859 -242.89303 644.92192
5725.0000 -250.81894 -242.35543 8.46351 2.39313 -243.44163 649.89029
5730.0000 -251.00780 -243.36022 7.64758 2.40207 -243.24906 635.67567
5735.0000 -250.33544 -242.48026 7.85518 2.39554 -243.38965 628.63971
5740.0000 -250.24543 -241.28894 8.95649 2.46793 -241.83000 686.00458
5745.0000 -251.70936 -243.39853 8.31083 2.41922 -242.87958 643.63363
5750.0000 -251.43288 -243.63680 7.79608 2.37608 -243.80893 609.40980
FREEZING PROCESS: loop number 24 T-loop= 604.00000000000000
main_MD> interactions number 24 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49520 -3.41048 1.58712
force_rgl> df(natom) 1.04398 1.82574 1.72789
5755.0000 -251.62384 -244.05534 7.56850 2.36173 -244.11799 612.60112
5760.0000 -251.49566 -243.80256 7.69311 2.33970 -244.59269 615.29467
5765.0000 -251.80718 -243.46522 8.34195 2.39469 -243.40805 653.17329
5770.0000 -252.84976 -244.16484 8.68492 2.35865 -244.18433 625.75229
5775.0000 -252.65522 -244.95662 7.69860 2.33550 -244.68326 602.66689
5780.0000 -253.25809 -246.43205 6.82604 2.32400 -244.93099 573.56723
5785.0000 -252.42488 -244.83200 7.59289 2.29712 -245.50998 569.13556
5790.0000 -253.44315 -245.46716 7.97599 2.33042 -244.79258 600.53518
5795.0000 -252.55974 -245.11672 7.44302 2.31377 -245.15143 584.96067
5800.0000 -252.40474 -243.96717 8.43757 2.33566 -244.67968 589.92560
5805.0000 -251.43158 -243.27291 8.15867 2.40697 -243.14351 633.28261
5810.0000 -249.63202 -243.24608 6.38594 2.39769 -243.34327 607.93630
5815.0000 -251.09524 -242.72366 8.37158 2.41790 -242.90796 638.00474
5820.0000 -250.85113 -243.26908 7.58205 2.41307 -243.01199 632.46383
5825.0000 -251.91230 -244.28780 7.62451 2.40116 -243.26850 622.47738
5830.0000 -252.49960 -245.08319 7.41641 2.32060 -245.00410 594.48054
5835.0000 -252.41003 -245.30047 7.10955 2.29138 -245.63363 563.86857
5840.0000 -251.63240 -244.25676 7.37564 2.33758 -244.63842 604.10352
5845.0000 -251.42610 -243.00661 8.41948 2.36125 -244.12841 603.66678
5850.0000 -252.10390 -245.34971 6.75419 2.38053 -243.71306 610.99791
5855.0000 -252.90000 -244.96592 7.93408 2.34687 -244.43817 615.20226
5860.0000 -253.01217 -245.17150 7.84067 2.32579 -244.89235 587.76603
5865.0000 -251.77440 -243.02399 8.75042 2.36461 -244.05606 612.46224
5870.0000 -251.93303 -243.56556 8.36748 2.37322 -243.87058 636.27186
5875.0000 -253.48245 -245.32104 8.16141 2.33765 -244.63680 602.46659
5880.0000 -253.77054 -246.45657 7.31397 2.32085 -244.99879 577.55198
5885.0000 -251.91445 -243.84819 8.06626 2.33424 -244.71034 602.27324
5890.0000 -250.79554 -243.78145 7.01409 2.39487 -243.40405 629.80163
5895.0000 -251.06683 -243.62872 7.43810 2.36860 -243.97017 609.82208
5900.0000 -251.95972 -243.33324 8.62648 2.39074 -243.49317 602.05214
5905.0000 -251.94962 -243.49001 8.45961 2.39196 -243.46670 631.66925
5910.0000 -251.54489 -243.97873 7.56616 2.36872 -243.96758 623.59533
5915.0000 -253.51325 -245.51217 8.00108 2.34831 -244.40722 616.06933
5920.0000 -251.68522 -243.08528 8.59994 2.35968 -244.16220 634.11836
5925.0000 -252.82315 -245.53994 7.28320 2.35745 -244.21027 619.71154
5930.0000 -252.63460 -245.26506 7.36954 2.29720 -245.50829 579.51071
5935.0000 -252.89270 -243.69895 9.19375 2.35393 -244.28620 611.74770
5940.0000 -252.55045 -244.24275 8.30770 2.37160 -243.90532 611.31317
5945.0000 -252.94534 -245.09826 7.84708 2.35261 -244.31465 612.82076
5950.0000 -251.94466 -244.95777 6.98689 2.29788 -245.49372 567.89962
5955.0000 -253.38680 -245.88216 7.50464 2.29659 -245.52155 582.77196
5960.0000 -252.60398 -244.72588 7.87811 2.33582 -244.67622 592.30917
5965.0000 -250.79329 -243.92919 6.86410 2.36631 -244.01949 610.05744
5970.0000 -250.97501 -243.14170 7.83331 2.36506 -244.04635 577.06533
5975.0000 -251.57672 -243.79450 7.78223 2.36473 -244.05344 601.88826
5980.0000 -253.44082 -245.55551 7.88531 2.34020 -244.58192 592.17941
5985.0000 -252.64947 -245.65345 6.99602 2.29296 -245.59970 569.47595
5990.0000 -251.59929 -244.41950 7.17978 2.32742 -244.85726 598.83152
5995.0000 -253.00042 -245.38257 7.61785 2.31929 -245.03233 578.67866
6000.0000 -252.54835 -244.29817 8.25018 2.33289 -244.73947 582.04808
FREEZING PROCESS: loop number 25 T-loop= 579.00000000000000
main_MD> interactions number 25 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34884 1.91476 -0.58913
force_rgl> df(natom) -0.86142 1.94652 -0.80947
6005.0000 -252.97160 -245.83983 7.13178 2.32330 -244.94599 580.25974
6010.0000 -254.07392 -247.23812 6.83580 2.22368 -247.09221 525.94662
6015.0000 -253.73498 -244.70850 9.02648 2.27657 -245.95279 551.38403
6020.0000 -252.77310 -245.56563 7.20746 2.30012 -245.44551 570.11547
6025.0000 -252.91222 -245.41940 7.49281 2.29313 -245.59609 557.60225
6030.0000 -252.12850 -244.89331 7.23518 2.30045 -245.43841 564.33943
6035.0000 -252.13718 -244.31401 7.82316 2.35671 -244.22612 600.52584
6040.0000 -252.87897 -244.66189 8.21708 2.32231 -244.96726 583.15788
6045.0000 -253.27696 -244.26368 9.01328 2.28986 -245.66646 570.33940
6050.0000 -251.35563 -245.11334 6.24229 2.31910 -245.03646 591.57174
6055.0000 -253.20921 -244.14175 9.06747 2.33093 -244.78160 595.81141
6060.0000 -252.89119 -245.38605 7.50514 2.34078 -244.56934 608.15539
6065.0000 -252.98844 -245.51794 7.47050 2.30392 -245.36359 574.45574
6070.0000 -253.00290 -246.26903 6.73387 2.29706 -245.51124 567.73886
6075.0000 -253.39120 -246.44841 6.94279 2.25571 -246.40210 562.10470
6080.0000 -253.34430 -245.99970 7.34461 2.27583 -245.96866 580.13977
6085.0000 -253.81297 -246.25824 7.55474 2.27298 -246.03021 571.47628
6090.0000 -254.07415 -246.33735 7.73680 2.26527 -246.19619 567.61855
6095.0000 -252.01724 -244.33906 7.67818 2.33443 -244.70621 601.71288
6100.0000 -253.40118 -245.37954 8.02164 2.32343 -244.94318 600.61313
6105.0000 -253.22694 -245.86268 7.36426 2.27279 -246.03431 580.25886
6110.0000 -252.96965 -245.71621 7.25343 2.27622 -245.96030 571.56613
6115.0000 -253.26641 -245.69637 7.57004 2.32765 -244.85226 610.61679
6120.0000 -252.90442 -245.75742 7.14699 2.30072 -245.43258 578.12577
6125.0000 -253.24465 -247.12996 6.11469 2.23096 -246.93549 525.36039
6130.0000 -254.36029 -246.08854 8.27175 2.24354 -246.66450 558.79139
6135.0000 -254.27016 -246.91168 7.35848 2.23744 -246.79578 585.37093
6140.0000 -256.36257 -246.87097 9.49159 2.22350 -247.09615 591.00634
6145.0000 -254.58896 -247.45470 7.13425 2.21649 -247.24713 577.62171
6150.0000 -253.68782 -246.56050 7.12732 2.22651 -247.03122 573.98662
6155.0000 -253.84614 -247.15003 6.69611 2.22589 -247.04464 569.22674
6160.0000 -255.03387 -246.69187 8.34200 2.26873 -246.12163 600.93931
6165.0000 -254.28061 -246.58115 7.69946 2.23939 -246.75390 590.29727
6170.0000 -253.20883 -246.60245 6.60638 2.26080 -246.29244 590.10162
6175.0000 -253.54980 -246.47220 7.07759 2.25309 -246.45872 582.97355
6180.0000 -254.59967 -247.05027 7.54940 2.23533 -246.84130 596.98914
6185.0000 -255.37253 -248.58418 6.78836 2.18022 -248.02861 574.42234
6190.0000 -254.86529 -248.34697 6.51833 2.16775 -248.29715 562.90082
6195.0000 -254.37964 -247.82196 6.55768 2.15383 -248.59708 547.80506
6200.0000 -256.35784 -248.15440 8.20344 2.18279 -247.97315 571.00152
6205.0000 -255.64792 -248.35060 7.29732 2.17053 -248.23738 555.59884
6210.0000 -255.06870 -248.80345 6.26525 2.16685 -248.31673 547.20014
6215.0000 -255.37369 -247.65191 7.72178 2.16401 -248.37774 551.72410
6220.0000 -255.95627 -249.33090 6.62537 2.18471 -247.93189 575.10768
6225.0000 -256.45404 -249.87079 6.58325 2.11147 -249.50984 526.17644
6230.0000 -255.94331 -248.28936 7.65396 2.12564 -249.20440 537.27270
6235.0000 -254.91787 -246.96734 7.95053 2.18275 -247.97414 578.94552
6240.0000 -255.24779 -246.72215 8.52564 2.22481 -247.06793 615.11659
6245.0000 -256.26784 -248.27002 7.99782 2.22013 -247.16882 597.43005
6250.0000 -254.27496 -246.62187 7.65310 2.18276 -247.97386 574.94976
FREEZING PROCESS: loop number 26 T-loop= 554.00000000000000
main_MD> interactions number 26 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.82685 -0.59140 0.57013
force_rgl> df(natom) -1.88767 0.70366 -0.59113
6255.0000 -255.05530 -247.73745 7.31786 2.20325 -247.53236 598.45464
6260.0000 -255.47810 -248.21542 7.26268 2.20272 -247.54381 594.96554
6265.0000 -256.27197 -249.58637 6.68560 2.11372 -249.46127 533.42817
6270.0000 -256.58432 -250.16626 6.41806 2.07010 -250.40112 505.28157
6275.0000 -257.30368 -250.37934 6.92434 2.04308 -250.98326 479.82681
6280.0000 -256.37943 -249.44175 6.93768 2.08449 -250.09104 512.14798
6285.0000 -256.78700 -249.95821 6.82879 2.11169 -249.50512 521.89559
6290.0000 -255.75106 -248.42535 7.32571 2.12974 -249.11619 536.66938
6295.0000 -254.45069 -247.84164 6.60906 2.19765 -247.65297 581.30901
6300.0000 -254.41474 -248.49107 5.92367 2.17957 -248.04261 569.22774
6305.0000 -256.60530 -249.54627 7.05903 2.11682 -249.39450 531.37207
6310.0000 -256.14471 -248.63732 7.50738 2.11937 -249.33950 537.11979
6315.0000 -258.15039 -250.47419 7.67620 2.12058 -249.31359 534.34976
6320.0000 -254.33798 -249.13929 5.19869 2.09553 -249.85318 505.37167
6325.0000 -254.60813 -246.72002 7.88810 2.17284 -248.18749 570.71030
6330.0000 -255.62594 -248.47761 7.14833 2.16857 -248.27951 568.46121
6335.0000 -257.45471 -249.07873 8.37598 2.13151 -249.07810 535.78424
6340.0000 -257.20469 -250.95085 6.25384 2.09138 -249.94251 517.66597
6345.0000 -255.59707 -250.10386 5.49321 2.02829 -251.30183 471.92263
6350.0000 -256.82703 -249.99613 6.83090 2.09176 -249.93443 513.73844
6355.0000 -255.97634 -249.03585 6.94049 2.11960 -249.33455 545.53820
6360.0000 -255.69874 -248.90078 6.79797 2.13326 -249.04031 549.02489
6365.0000 -255.60621 -247.84066 7.76555 2.14951 -248.69014 555.75648
6370.0000 -255.32072 -247.15422 8.16650 2.21253 -247.33259 595.18329
6375.0000 -255.76069 -248.35366 7.40703 2.18790 -247.86313 571.14624
6380.0000 -255.84255 -248.64897 7.19357 2.16930 -248.26381 570.48356
6385.0000 -255.88210 -248.05941 7.82269 2.16890 -248.27251 575.22883
6390.0000 -257.55809 -249.50659 8.05151 2.14860 -248.70974 559.58116
6395.0000 -258.47526 -250.50861 7.96665 2.09961 -249.76527 525.34140
6400.0000 -256.82536 -249.12154 7.70382 2.10372 -249.67678 521.17731
6405.0000 -256.65042 -248.89724 7.75317 2.11123 -249.51501 513.97322
6410.0000 -254.39670 -247.66883 6.72787 2.16481 -248.36049 555.26004
6415.0000 -256.63403 -248.93525 7.69878 2.12998 -249.11102 535.06556
6420.0000 -256.09910 -249.66998 6.42912 2.12103 -249.30388 542.01953
6425.0000 -255.82674 -249.28066 6.54608 2.11806 -249.36774 538.21657
6430.0000 -256.49256 -249.08422 7.40834 2.11962 -249.33421 532.88846
6435.0000 -256.02793 -249.18153 6.84641 2.13309 -249.04394 550.59547
6440.0000 -255.35680 -248.97156 6.38524 2.12795 -249.15466 544.17378
6445.0000 -255.41305 -249.07879 6.33426 2.17838 -248.06827 575.13098
6450.0000 -255.72804 -248.92700 6.80104 2.15133 -248.65090 552.23702
6455.0000 -255.76919 -247.97055 7.79864 2.13543 -248.99362 551.81229
6460.0000 -256.20117 -248.32980 7.87137 2.17044 -248.23920 567.37382
6465.0000 -255.88277 -247.37169 8.51108 2.17865 -248.06248 576.40106
6470.0000 -255.86020 -248.35985 7.50035 2.17403 -248.16201 575.54732
6475.0000 -255.37130 -247.62399 7.74731 2.17132 -248.22037 573.81732
6480.0000 -256.88320 -248.87171 8.01149 2.12981 -249.11453 536.38556
6485.0000 -256.64744 -249.01743 7.63001 2.11296 -249.47769 526.22719
6490.0000 -255.42748 -248.90011 6.52737 2.14074 -248.87905 545.89499
6495.0000 -255.91975 -248.63639 7.28336 2.15909 -248.48382 550.12034
6500.0000 -256.33653 -249.89199 6.44453 2.16737 -248.30546 561.14684
FREEZING PROCESS: loop number 27 T-loop= 529.00000000000000
main_MD> interactions number 27 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40622 -0.26577 -1.07804
force_rgl> df(natom) -0.10156 1.05471 1.25730
6505.0000 -257.03566 -250.52711 6.50856 2.10211 -249.71140 521.30220
6510.0000 -256.52141 -250.00382 6.51759 2.09298 -249.90810 519.88958
6515.0000 -257.21611 -250.45217 6.76394 2.08796 -250.01636 512.90476
6520.0000 -255.28590 -250.31617 4.96973 2.07841 -250.22197 506.32132
6525.0000 -256.12480 -248.82053 7.30427 2.09675 -249.82689 519.93057
6530.0000 -255.70433 -248.16874 7.53559 2.14395 -248.80990 554.56051
6535.0000 -256.31967 -249.57319 6.74648 2.14955 -248.68945 560.56857
6540.0000 -255.85332 -248.62974 7.22358 2.12044 -249.31653 538.31230
6545.0000 -255.52240 -248.53459 6.98780 2.15572 -248.55651 558.28211
6550.0000 -256.12691 -249.40902 6.71789 2.15791 -248.50933 549.74842
6555.0000 -256.45023 -249.84848 6.60174 2.09498 -249.86498 519.31734
6560.0000 -256.32763 -248.87006 7.45757 2.13149 -249.07853 541.45002
6565.0000 -256.83850 -249.91390 6.92459 2.09948 -249.76807 515.21543
6570.0000 -256.91372 -250.70830 6.20542 2.06246 -250.56575 485.55100
6575.0000 -255.10115 -249.06047 6.04067 2.08881 -249.99787 490.83302
6580.0000 -256.13931 -249.13830 7.00101 2.13796 -248.93899 536.08698
6585.0000 -257.20091 -249.16412 8.03679 2.12847 -249.14354 528.65208
6590.0000 -256.44631 -249.92537 6.52094 2.11731 -249.38387 524.38374
6595.0000 -255.62298 -248.52660 7.09638 2.13217 -249.06385 537.74490
6600.0000 -255.83067 -248.52094 7.30974 2.15506 -248.57065 560.78864
6605.0000 -255.67128 -249.86391 5.80737 2.13322 -249.04111 520.36862
6610.0000 -256.19272 -249.20232 6.99040 2.12954 -249.12044 508.79611
6615.0000 -256.14402 -249.01723 7.12679 2.11127 -249.51398 502.51658
6620.0000 -254.88295 -247.56818 7.31477 2.18805 -247.85998 559.21842
6625.0000 -254.37420 -248.20061 6.17359 2.18635 -247.89658 530.04203
6630.0000 -256.29905 -249.26958 7.02947 2.14215 -248.84877 517.88580
6635.0000 -255.64913 -248.82272 6.82641 2.10540 -249.64051 487.95850
6640.0000 -256.43967 -249.39310 7.04657 2.11216 -249.49494 493.72532
6645.0000 -256.50531 -249.83749 6.66782 2.10533 -249.64199 489.60302
6650.0000 -253.98631 -247.68757 6.29875 2.16209 -248.41917 539.80511
6655.0000 -254.66933 -248.13984 6.52949 2.18985 -247.82120 551.29139
6660.0000 -255.39665 -248.55556 6.84109 2.16944 -248.26079 536.94289
6665.0000 -254.76241 -246.90841 7.85400 2.18708 -247.88073 539.87166
6670.0000 -253.74785 -246.62354 7.12431 2.24876 -246.55204 587.86618
6675.0000 -254.60955 -248.93270 5.67685 2.17915 -248.05163 536.52571
6680.0000 -256.28031 -249.35255 6.92776 2.13389 -249.02679 506.67875
6685.0000 -255.48332 -249.41090 6.07242 2.11785 -249.37235 497.26004
6690.0000 -255.60794 -249.41609 6.19184 2.10652 -249.61648 497.03019
6695.0000 -256.73817 -249.06860 7.66957 2.12293 -249.26281 519.76038
6700.0000 -254.60385 -248.46389 6.13997 2.13578 -248.98611 511.59808
6705.0000 -256.21094 -248.95720 7.25375 2.13656 -248.96916 525.06887
6710.0000 -255.41451 -249.02982 6.38469 2.13616 -248.97781 533.65357
6715.0000 -255.86183 -249.66729 6.19454 2.12598 -249.19719 529.79415
6720.0000 -256.29795 -250.00230 6.29565 2.09699 -249.82177 509.85618
6725.0000 -256.68698 -249.96920 6.71778 2.12332 -249.25452 526.59339
6730.0000 -255.81694 -249.37825 6.43869 2.13254 -249.05572 540.70162
6735.0000 -254.69572 -248.54451 6.15122 2.12683 -249.17874 525.61244
6740.0000 -256.49373 -249.09337 7.40036 2.14867 -248.70834 545.13918
6745.0000 -256.34567 -249.33954 7.00613 2.12079 -249.30907 524.85197
6750.0000 -256.13579 -249.08007 7.05573 2.13031 -249.10396 535.59934
FREEZING PROCESS: loop number 28 T-loop= 504.00000000000000
main_MD> interactions number 28 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63594 -1.58731 0.49604
force_rgl> df(natom) 2.42532 1.76301 2.80427
6755.0000 -256.67803 -249.77721 6.90081 2.12164 -249.29072 506.47594
6760.0000 -256.28458 -250.44920 5.83538 2.07688 -250.25491 474.29196
6765.0000 -255.95616 -248.47124 7.48492 2.12943 -249.12276 523.23982
6770.0000 -255.80839 -249.05411 6.75428 2.15111 -248.65564 531.60245
6775.0000 -255.14347 -249.29750 5.84598 2.12350 -249.25066 526.91606
6780.0000 -255.73695 -248.98405 6.75290 2.12804 -249.15267 527.75178
6785.0000 -255.55068 -249.81201 5.73867 2.12186 -249.28600 516.26280
6790.0000 -256.01419 -249.52210 6.49208 2.08801 -250.01511 489.27885
6795.0000 -256.06167 -249.74988 6.31179 2.07930 -250.20288 491.98113
6800.0000 -255.67234 -249.79031 5.88203 2.11956 -249.33545 517.59377
6805.0000 -256.31650 -248.63263 7.68387 2.12439 -249.23132 508.68319
6810.0000 -255.59262 -249.99832 5.59430 2.13538 -248.99469 498.90315
6815.0000 -256.06860 -250.26530 5.80330 2.07001 -250.40295 450.22127
6820.0000 -255.89883 -249.08829 6.81054 2.09798 -249.80050 480.45494
6825.0000 -254.72266 -248.91161 5.81105 2.14862 -248.70937 510.77870
6830.0000 -254.78764 -248.55255 6.23509 2.16340 -248.39095 523.36246
6835.0000 -255.42908 -248.59362 6.83546 2.14012 -248.89255 508.73058
6840.0000 -254.55483 -247.92314 6.63169 2.15896 -248.48654 527.40903
6845.0000 -254.06921 -247.04845 7.02076 2.22798 -246.99953 564.30527
6850.0000 -255.13163 -247.77370 7.35793 2.21775 -247.22004 573.86370
6855.0000 -256.24288 -249.71086 6.53201 2.13907 -248.91521 526.06343
6860.0000 -257.18243 -251.50706 5.67537 2.04567 -250.92733 462.23780
6865.0000 -255.52935 -249.97682 5.55253 2.04283 -250.98852 452.12620
6870.0000 -255.40955 -248.49986 6.90969 2.12820 -249.14934 505.42552
6875.0000 -256.05929 -249.18125 6.87805 2.13508 -249.00107 526.28260
6880.0000 -256.19947 -249.81763 6.38184 2.10558 -249.63659 495.83107
6885.0000 -256.63296 -249.39848 7.23448 2.09375 -249.89150 500.12138
6890.0000 -256.04264 -250.23106 5.81158 2.09646 -249.83306 505.70619
6895.0000 -257.02756 -250.20051 6.82705 2.10737 -249.59815 514.68987
6900.0000 -256.57410 -249.71669 6.85741 2.07176 -250.36539 492.89170
6905.0000 -254.88754 -248.14972 6.73782 2.13566 -248.98858 541.63696
6910.0000 -256.39061 -249.72722 6.66339 2.12194 -249.28412 524.30810
6915.0000 -256.99740 -250.13973 6.85766 2.10145 -249.72562 497.93323
6920.0000 -255.90092 -249.75357 6.14735 2.08314 -250.12020 499.89152
6925.0000 -256.08580 -250.02741 6.05839 2.07590 -250.27614 496.28751
6930.0000 -256.22400 -249.23863 6.98537 2.09341 -249.89891 500.76196
6935.0000 -256.94230 -250.60144 6.34086 2.10465 -249.65675 516.56771
6940.0000 -256.83070 -251.29816 5.53254 2.05452 -250.73663 485.70570
6945.0000 -257.19400 -251.02293 6.17107 2.01959 -251.48931 452.93986
6950.0000 -257.64348 -251.44821 6.19527 2.00961 -251.70424 449.84204
6955.0000 -256.95203 -250.55343 6.39860 2.02998 -251.26543 464.78393
6960.0000 -257.73466 -250.71452 7.02014 2.06754 -250.45623 491.18559
6965.0000 -257.35023 -250.90092 6.44931 2.04035 -251.04202 469.34797
6970.0000 -255.87999 -249.26061 6.61938 2.06856 -250.43420 491.98276
6975.0000 -255.46278 -249.10257 6.36021 2.09678 -249.82625 509.17284
6980.0000 -256.83473 -250.25496 6.57977 2.08974 -249.97785 496.42662
6985.0000 -256.06656 -249.82622 6.24034 2.06289 -250.55637 485.13262
6990.0000 -255.55955 -249.16126 6.39829 2.11372 -249.46127 520.99774
6995.0000 -256.45578 -249.33956 7.11621 2.12057 -249.31362 527.03019
7000.0000 -256.75981 -250.39188 6.36793 2.09398 -249.88657 498.99994
FREEZING PROCESS: loop number 29 T-loop= 479.00000000000000
main_MD> interactions number 29 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07312 -0.66441 -1.87199
force_rgl> df(natom) 0.18598 -0.49643 -3.73342
7005.0000 -255.76959 -250.08441 5.68518 2.06898 -250.42528 478.59805
7010.0000 -256.69931 -250.85119 5.84812 2.07866 -250.21661 489.05485
7015.0000 -256.40819 -250.73449 5.67369 2.05346 -250.75948 471.59622
7020.0000 -257.09175 -251.75473 5.33702 2.06739 -250.45953 488.67725
7025.0000 -257.01694 -251.20030 5.81664 2.00215 -251.86499 440.80241
7030.0000 -257.40212 -251.34956 6.05256 2.03556 -251.14521 472.55911
7035.0000 -257.77522 -251.48202 6.29320 2.05262 -250.77764 480.54651
7040.0000 -256.65818 -250.45546 6.20271 2.04488 -250.94432 472.86237
7045.0000 -257.36914 -251.63293 5.73621 2.04974 -250.83974 474.92528
7050.0000 -257.81766 -251.55759 6.26008 2.00873 -251.72328 443.03389
7055.0000 -256.12134 -250.32616 5.79518 2.06276 -250.55927 480.57778
7060.0000 -257.21966 -250.39646 6.82320 2.07840 -250.22215 493.47788
7065.0000 -256.57695 -250.62244 5.95451 2.05956 -250.62812 484.13770
7070.0000 -257.84835 -250.86473 6.98361 2.05348 -250.75922 482.72074
7075.0000 -256.88562 -250.46979 6.41583 2.05331 -250.76279 486.14966
7080.0000 -257.64191 -250.12719 7.51471 2.06053 -250.60725 483.98312
7085.0000 -256.40846 -250.56600 5.84246 2.07232 -250.35324 494.16440
7090.0000 -255.30602 -248.91773 6.38829 2.08608 -250.05686 491.67252
7095.0000 -256.00012 -249.11598 6.88414 2.12006 -249.32460 521.20389
7100.0000 -257.33321 -250.97995 6.35326 2.05942 -250.63124 476.70212
7105.0000 -256.46041 -250.75616 5.70424 2.05756 -250.67129 474.98332
7110.0000 -255.85880 -249.56439 6.29442 2.07943 -250.20007 493.58229
7115.0000 -255.97388 -249.56973 6.40416 2.10568 -249.63446 507.02008
7120.0000 -256.67393 -251.00729 5.66664 2.06756 -250.45570 492.53893
7125.0000 -257.14664 -250.84610 6.30054 2.03836 -251.08488 471.67614
7130.0000 -257.49166 -251.99680 5.49486 2.02379 -251.39881 462.03498
7135.0000 -257.30936 -250.81368 6.49568 2.02729 -251.32329 469.23697
7140.0000 -256.99703 -251.11129 5.88574 2.04954 -250.84397 483.54205
7145.0000 -257.17715 -250.41075 6.76640 2.06602 -250.48903 494.04378
7150.0000 -257.87498 -251.12685 6.74813 2.06689 -250.47028 494.38841
7155.0000 -256.49129 -249.91917 6.57212 2.05667 -250.69035 492.05335
7160.0000 -256.31128 -251.23779 5.07350 2.06962 -250.41145 480.79535
7165.0000 -256.43538 -250.75331 5.68207 2.02553 -251.36137 446.47202
7170.0000 -257.25052 -251.70165 5.54888 2.01977 -251.48531 455.93997
7175.0000 -256.39299 -249.68272 6.71027 2.05554 -250.71473 481.48588
7180.0000 -256.85347 -250.55680 6.29667 2.09447 -249.87599 505.10811
7185.0000 -257.14869 -251.65167 5.49703 2.04012 -251.04698 469.26996
7190.0000 -256.97857 -250.03914 6.93943 2.04548 -250.93154 475.57702
7195.0000 -255.67158 -249.51184 6.15974 2.08939 -249.98545 509.54895
7200.0000 -257.14967 -250.64078 6.50889 2.07766 -250.23814 502.69858
7205.0000 -256.54276 -250.59939 5.94337 2.07043 -250.39401 480.80029
7210.0000 -256.55885 -250.80214 5.75671 2.06439 -250.52404 477.94816
7215.0000 -256.06387 -250.52105 5.54282 2.05531 -250.71967 450.43008
7220.0000 -256.76819 -250.61853 6.14966 2.05152 -250.80125 461.10826
7225.0000 -256.63815 -250.84971 5.78844 2.02833 -251.30085 448.33795
7230.0000 -256.58408 -250.01687 6.56720 2.06713 -250.46504 463.49436
7235.0000 -256.38557 -250.97148 5.41409 2.06621 -250.48493 468.68210
7240.0000 -256.17736 -250.01638 6.16097 2.04681 -250.90281 457.32835
7245.0000 -257.23226 -250.80146 6.43080 2.08476 -250.08515 485.98097
7250.0000 -257.07656 -250.37701 6.69954 2.04564 -250.92810 465.02752
FREEZING PROCESS: loop number 30 T-loop= 454.00000000000000
main_MD> interactions number 30 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14911 1.32927 -3.66748
force_rgl> df(natom) -0.44556 -0.69070 0.93693
7255.0000 -256.55351 -250.61722 5.93629 2.06789 -250.44863 464.74572
7260.0000 -256.58239 -251.25002 5.33237 2.03243 -251.21269 453.65954
7265.0000 -256.28400 -249.45773 6.82627 2.08454 -250.08997 493.71360
7270.0000 -255.80737 -249.83502 5.97235 2.07959 -250.19649 485.74241
7275.0000 -255.12149 -248.49450 6.62699 2.12490 -249.22046 518.59915
7280.0000 -257.41036 -251.22330 6.18706 2.08931 -249.98711 493.15440
7285.0000 -257.20855 -252.40663 4.80192 1.99381 -252.04476 419.10396
7290.0000 -257.87047 -251.47269 6.39778 1.98427 -252.25028 424.27857
7295.0000 -256.84254 -251.76687 5.07567 2.01071 -251.68047 439.45641
7300.0000 -257.21248 -251.91015 5.30233 2.01960 -251.48912 445.42584
7305.0000 -257.02406 -251.89738 5.12668 2.00184 -251.87165 438.80472
7310.0000 -257.79731 -251.89226 5.90505 1.97084 -252.53962 415.05088
7315.0000 -257.93107 -251.93631 5.99476 1.99590 -251.99956 437.28368
7320.0000 -258.14087 -252.82577 5.31510 1.97963 -252.35023 435.47176
7325.0000 -258.86667 -253.51761 5.34906 1.95675 -252.84301 421.03491
7330.0000 -258.02917 -252.74608 5.28309 1.94202 -253.16051 409.63454
7335.0000 -258.56641 -253.26594 5.30047 1.94405 -253.11675 410.64665
7340.0000 -258.23259 -251.94150 6.29110 1.96940 -252.57064 428.01711
7345.0000 -256.94339 -251.19596 5.74742 2.01548 -251.57791 466.47472
7350.0000 -257.34884 -251.07412 6.27473 2.02418 -251.39026 468.88456
7355.0000 -257.66398 -251.26284 6.40114 2.02982 -251.26893 468.80823
7360.0000 -257.98128 -251.34704 6.63424 2.01903 -251.50132 464.36923
7365.0000 -257.87068 -251.71031 6.16037 2.03258 -251.20930 471.32958
7370.0000 -258.12792 -252.06103 6.06689 2.01609 -251.56457 467.41506
7375.0000 -258.49589 -252.56548 5.93042 1.98635 -252.20535 441.81535
7380.0000 -257.98905 -251.83993 6.14913 1.97284 -252.49642 433.30733
7385.0000 -258.24131 -253.21132 5.02999 1.96645 -252.63418 427.47261
7390.0000 -258.04085 -252.38225 5.65860 1.95305 -252.92271 422.63740
7395.0000 -258.00517 -252.17632 5.82886 1.97927 -252.35782 443.41240
7400.0000 -257.44472 -251.88859 5.55613 1.97398 -252.47187 435.19697
7405.0000 -256.94621 -250.70033 6.24588 2.01402 -251.60917 459.30843
7410.0000 -257.31395 -251.05637 6.25758 2.06875 -250.43019 502.48286
7415.0000 -258.07546 -251.34861 6.72685 2.04154 -251.01637 488.79513
7420.0000 -257.45872 -251.90784 5.55088 2.02126 -251.45335 463.54594
7425.0000 -256.76824 -250.70376 6.06448 2.01624 -251.56137 468.85005
7430.0000 -257.83584 -251.13032 6.70551 2.05200 -250.79090 483.60237
7435.0000 -257.68290 -250.51732 7.16558 2.06247 -250.56544 491.92230
7440.0000 -257.16129 -251.05056 6.11072 2.03573 -251.14144 474.51419
7445.0000 -257.92826 -251.04417 6.88409 2.02990 -251.26703 476.19013
7450.0000 -257.65998 -251.81194 5.84804 2.02557 -251.36045 466.22226
7455.0000 -257.76519 -252.41439 5.35080 2.00990 -251.69793 456.90175
7460.0000 -258.08325 -251.49709 6.58616 1.98686 -252.19434 443.59886
7465.0000 -257.91527 -251.58375 6.33152 2.01272 -251.63720 458.01043
7470.0000 -257.52254 -251.25393 6.26860 2.03765 -251.10009 473.89786
7475.0000 -257.63004 -251.64029 5.98975 2.03345 -251.19070 473.88004
7480.0000 -257.47501 -251.12206 6.35294 2.03667 -251.12132 479.03122
7485.0000 -257.87773 -251.89221 5.98552 2.03807 -251.09113 482.86276
7490.0000 -257.97911 -252.39512 5.58399 1.99851 -251.94333 451.06586
7495.0000 -257.74309 -251.22083 6.52227 2.03125 -251.23812 477.11215
7500.0000 -258.09297 -252.10724 5.98573 2.02212 -251.43484 471.73374
FREEZING PROCESS: loop number 31 T-loop= 429.00000000000000
main_MD> interactions number 31 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28817 -2.02860 -0.33978
force_rgl> df(natom) -1.69067 -0.08409 -4.47048
7505.0000 -258.13670 -251.71401 6.42269 2.00043 -251.90210 456.52428
7510.0000 -258.91022 -252.76889 6.14133 1.99225 -252.07819 447.12720
7515.0000 -258.31697 -252.53057 5.78639 1.94276 -253.14461 412.50283
7520.0000 -258.76061 -253.05465 5.70597 1.98553 -252.22312 443.50880
7525.0000 -257.97555 -252.85429 5.12126 1.94996 -252.98934 415.64433
7530.0000 -258.61221 -252.84282 5.76939 1.97516 -252.44650 437.54168
7535.0000 -259.04178 -253.23673 5.80505 1.94639 -253.06629 416.39477
7540.0000 -258.44732 -253.13431 5.31300 1.93172 -253.38229 404.80328
7545.0000 -259.16822 -253.33690 5.83131 1.92415 -253.54543 396.69348
7550.0000 -259.31140 -253.90323 5.40817 1.92009 -253.63288 394.49436
7555.0000 -257.93291 -252.49919 5.43372 1.92651 -253.49451 396.60937
7560.0000 -257.56847 -251.67147 5.89700 1.99485 -252.02233 455.75432
7565.0000 -258.03518 -252.05572 5.97946 1.99783 -251.95816 450.67641
7570.0000 -257.13967 -251.36065 5.77902 2.00015 -251.90815 457.34507
7575.0000 -257.30007 -251.32765 5.97241 2.00986 -251.69884 458.73449
7580.0000 -257.65466 -252.09412 5.56054 2.00081 -251.89375 453.64995
7585.0000 -258.07948 -252.16806 5.91142 1.98083 -252.32426 433.98890
7590.0000 -258.74421 -253.46357 5.28064 1.95927 -252.78875 419.95231
7595.0000 -258.34580 -253.32804 5.01775 1.92945 -253.43130 398.69139
7600.0000 -257.19686 -251.92775 5.26911 1.96542 -252.65635 430.71855
7605.0000 -257.71193 -252.52474 5.18719 1.99070 -252.11172 447.41094
7610.0000 -257.48891 -251.99915 5.48975 1.98644 -252.20341 444.40796
7615.0000 -257.55586 -252.19857 5.35730 2.00331 -251.83989 458.28770
7620.0000 -257.45103 -251.67762 5.77341 1.97932 -252.35679 437.51439
7625.0000 -257.66856 -251.51692 6.15164 2.00123 -251.88484 455.51864
7630.0000 -257.67645 -251.46359 6.21286 2.02032 -251.47344 464.35257
7635.0000 -256.98785 -251.58926 5.39858 1.99634 -251.99022 437.01855
7640.0000 -257.65496 -251.83824 5.81672 1.99557 -252.00680 437.74290
7645.0000 -257.44595 -251.92606 5.51989 1.99484 -252.02242 441.41239
7650.0000 -256.47215 -250.91554 5.55661 2.01277 -251.63615 453.36947
7655.0000 -258.27912 -252.56031 5.71881 1.99213 -252.08089 432.66627
7660.0000 -257.92323 -252.20712 5.71610 1.97211 -252.51215 425.11363
7665.0000 -258.13998 -252.71847 5.42151 1.97343 -252.48366 427.38821
7670.0000 -257.24437 -251.72250 5.52186 1.99619 -251.99336 446.65720
7675.0000 -256.74321 -251.06989 5.67332 2.01117 -251.67056 455.54586
7680.0000 -257.20395 -251.71051 5.49344 2.02670 -251.33602 465.23171
7685.0000 -256.76882 -250.82109 5.94773 1.98365 -252.26352 430.62779
7690.0000 -257.23712 -251.52078 5.71634 2.02706 -251.32826 466.36656
7695.0000 -257.58764 -251.76530 5.82234 2.01760 -251.53212 462.40387
7700.0000 -258.22782 -252.27049 5.95733 1.98215 -252.29588 432.41036
7705.0000 -257.97789 -252.54785 5.43003 1.98451 -252.24509 435.20100
7710.0000 -257.70756 -251.87481 5.83275 1.98909 -252.14628 441.57087
7715.0000 -257.41203 -252.04968 5.36235 1.99733 -251.96880 446.08063
7720.0000 -258.05435 -252.30429 5.75005 1.98929 -252.14214 444.58532
7725.0000 -258.25556 -252.23659 6.01897 1.97419 -252.46736 437.76171
7730.0000 -258.10611 -252.83353 5.27258 1.96099 -252.75172 418.83217
7735.0000 -258.16627 -252.92965 5.23662 1.96429 -252.68068 425.35056
7740.0000 -258.33006 -252.92059 5.40947 1.94236 -253.15311 409.76557
7745.0000 -258.74337 -253.05964 5.68372 1.95183 -252.94916 415.15137
7750.0000 -257.41210 -251.56887 5.84323 1.98880 -252.15254 447.21577
FREEZING PROCESS: loop number 32 T-loop= 404.00000000000000
main_MD> interactions number 32 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.43721 -0.06663 2.01292
force_rgl> df(natom) 0.39181 1.57372 1.51012
7755.0000 -257.42501 -252.20434 5.22067 1.97189 -252.51687 432.16460
7760.0000 -258.78279 -252.29439 6.48840 1.97884 -252.36719 437.03809
7765.0000 -258.52832 -253.00206 5.52626 1.98220 -252.29484 437.74143
7770.0000 -258.51880 -254.10852 4.41028 1.94578 -253.07939 413.60874
7775.0000 -258.21882 -252.51314 5.70568 1.92003 -253.63423 394.07196
7780.0000 -258.48572 -252.82149 5.66422 1.95393 -252.90378 416.51626
7785.0000 -257.38876 -252.25379 5.13497 1.97611 -252.42595 437.19187
7790.0000 -258.66260 -252.77819 5.88440 1.96572 -252.64989 425.84770
7795.0000 -259.39058 -254.14453 5.24605 1.92302 -253.56972 391.82988
7800.0000 -258.32708 -253.56148 4.76560 1.92467 -253.53430 396.43172
7805.0000 -258.83964 -253.79058 5.04906 1.91004 -253.84940 384.52097
7810.0000 -259.58225 -254.61905 4.96320 1.91482 -253.74654 392.87306
7815.0000 -259.12590 -254.27667 4.84923 1.88640 -254.35865 367.53773
7820.0000 -258.60095 -253.58123 5.01972 1.90609 -253.93449 383.72266
7825.0000 -258.29923 -253.22835 5.07088 1.93604 -253.28936 404.61788
7830.0000 -258.56421 -253.33204 5.23217 1.93460 -253.32030 403.76281
7835.0000 -258.29461 -252.98169 5.31292 1.95809 -252.81430 421.41405
7840.0000 -258.58194 -252.83717 5.74477 1.94351 -253.12829 410.03149
7845.0000 -258.14736 -252.40470 5.74266 1.93993 -253.20550 409.94853
7850.0000 -258.00584 -253.14509 4.86075 1.96805 -252.59964 430.00450
7855.0000 -257.74029 -253.12625 4.61404 1.94130 -253.17600 409.57598
7860.0000 -258.29043 -253.23503 5.05539 1.94100 -253.18247 407.97166
7865.0000 -258.35586 -253.35883 4.99703 1.94544 -253.08683 407.10742
7870.0000 -257.60423 -252.92661 4.67763 1.95506 -252.87943 420.11024
7875.0000 -258.49206 -253.69695 4.79510 1.91889 -253.65870 390.26217
7880.0000 -258.57994 -253.44634 5.13360 1.90927 -253.86598 387.15361
7885.0000 -257.65319 -252.69664 4.95656 1.93585 -253.29344 407.76323
7890.0000 -258.56561 -253.14565 5.41996 1.93378 -253.33787 399.23966
7895.0000 -257.42115 -253.02319 4.39796 1.95816 -252.81267 422.59412
7900.0000 -259.61083 -254.29521 5.31562 1.92219 -253.58777 398.29869
7905.0000 -258.11394 -253.97246 4.14148 1.89055 -254.26944 371.38203
7910.0000 -258.36622 -253.30953 5.05669 1.93055 -253.40748 400.54427
7915.0000 -258.04589 -253.00836 5.03753 1.96070 -252.75803 419.31496
7920.0000 -258.91164 -253.28130 5.63033 1.93887 -253.22835 404.79070
7925.0000 -259.07076 -253.29054 5.78022 1.95361 -252.91067 416.23496
7930.0000 -258.25217 -254.00624 4.24593 1.92082 -253.61716 394.60763
7935.0000 -258.79766 -253.97970 4.81796 1.90263 -254.00908 379.28370
7940.0000 -257.88135 -252.34310 5.53826 1.95832 -252.80936 422.44894
7945.0000 -258.73001 -253.78273 4.94728 1.95551 -252.86976 415.70839
7950.0000 -258.68134 -253.49557 5.18576 1.92202 -253.59132 393.52679
7955.0000 -259.09524 -254.28789 4.80735 1.90843 -253.88405 385.59106
7960.0000 -258.39228 -253.31892 5.07336 1.89318 -254.21273 375.75924
7965.0000 -258.58302 -252.94273 5.64029 1.93628 -253.28404 403.56771
7970.0000 -258.05458 -252.24412 5.81046 1.94791 -253.03349 413.28541
7975.0000 -258.87491 -254.13962 4.73528 1.93437 -253.32522 404.73392
7980.0000 -258.84617 -253.55793 5.28824 1.92557 -253.51495 395.89904
7985.0000 -258.95001 -253.95787 4.99214 1.90808 -253.89161 382.97369
7990.0000 -258.13942 -253.28942 4.85000 1.93644 -253.28073 406.31427
7995.0000 -258.08412 -252.37423 5.70989 1.94503 -253.09565 412.73803
8000.0000 -259.11211 -253.38688 5.72523 1.95863 -252.80267 419.35961
FREEZING PROCESS: loop number 33 T-loop= 379.00000000000000
main_MD> interactions number 33 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16313 0.96030 -0.03125
force_rgl> df(natom) -0.92611 -2.00548 -2.64204
8005.0000 -258.10387 -253.00149 5.10238 1.95076 -252.97215 413.83096
8010.0000 -259.05822 -253.43337 5.62486 1.94682 -253.05697 413.60121
8015.0000 -259.09902 -253.86086 5.23816 1.92890 -253.44312 403.37063
8020.0000 -259.15052 -254.54643 4.60409 1.89172 -254.24413 372.03457
8025.0000 -259.28399 -254.11808 5.16590 1.90495 -253.95909 381.31540
8030.0000 -259.25532 -254.00181 5.25351 1.88493 -254.39043 369.22490
8035.0000 -259.66357 -254.41687 5.24670 1.89887 -254.09002 372.22761
8040.0000 -258.91886 -254.00946 4.90940 1.89144 -254.25012 370.88117
8045.0000 -259.15378 -254.71930 4.43448 1.90016 -254.06231 378.01245
8050.0000 -259.18901 -253.92480 5.26421 1.88635 -254.35977 367.68607
8055.0000 -259.32831 -253.78678 5.54153 1.89780 -254.11316 378.87435
8060.0000 -258.96074 -253.79164 5.16911 1.91251 -253.79620 386.75882
8065.0000 -258.18037 -253.90112 4.27924 1.90232 -254.01571 381.23154
8070.0000 -259.02071 -254.32731 4.69340 1.88739 -254.33742 370.34364
8075.0000 -259.03021 -254.24444 4.78577 1.89943 -254.07797 375.65244
8080.0000 -258.69379 -253.76065 4.93314 1.90175 -254.02797 379.02808
8085.0000 -257.91671 -253.28006 4.63665 1.90245 -254.01293 379.60027
8090.0000 -258.64180 -253.38039 5.26141 1.93273 -253.36066 404.41102
8095.0000 -258.10500 -254.00497 4.10003 1.92573 -253.51135 399.60989
8100.0000 -259.31140 -254.87090 4.44051 1.88225 -254.44807 366.32573
8105.0000 -259.33984 -254.73023 4.60961 1.87770 -254.54614 362.67198
8110.0000 -258.62966 -253.70332 4.92634 1.90401 -253.97941 378.77660
8115.0000 -258.76249 -253.87289 4.88960 1.91402 -253.76367 387.78284
8120.0000 -259.24794 -254.23857 5.00937 1.92298 -253.57061 393.24862
8125.0000 -259.27337 -254.38778 4.88559 1.86722 -254.77187 353.18635
8130.0000 -258.56564 -253.91979 4.64585 1.89694 -254.13170 375.96998
8135.0000 -258.95883 -254.02470 4.93413 1.88609 -254.36543 368.38928
8140.0000 -258.93023 -254.17207 4.75816 1.89698 -254.13087 377.52432
8145.0000 -258.79700 -254.81767 3.97933 1.87763 -254.54768 361.33925
8150.0000 -259.01224 -254.58035 4.43190 1.88411 -254.40817 365.57284
8155.0000 -259.01393 -253.74105 5.27288 1.89967 -254.07289 381.53806
8160.0000 -258.33795 -253.52593 4.81202 1.91959 -253.64376 390.09016
8165.0000 -258.64662 -253.39922 5.24740 1.91364 -253.77197 387.17652
8170.0000 -258.87034 -254.34111 4.52922 1.91202 -253.80669 386.67508
8175.0000 -258.70162 -254.60300 4.09862 1.88548 -254.37865 367.83511
8180.0000 -259.21726 -254.13973 5.07752 1.88096 -254.47598 363.69980
8185.0000 -259.26713 -254.63059 4.63653 1.90013 -254.06298 379.15505
8190.0000 -258.85744 -253.90963 4.94781 1.89008 -254.27950 373.30379
8195.0000 -259.26515 -253.97842 5.28673 1.89513 -254.17058 376.20806
8200.0000 -257.87936 -253.55884 4.32052 1.92496 -253.52795 398.44184
8205.0000 -259.51228 -253.73709 5.77519 1.90472 -253.96398 383.05306
8210.0000 -258.42059 -254.17185 4.24874 1.90319 -253.99707 384.34223
8215.0000 -258.70297 -253.86582 4.83716 1.89932 -254.08040 379.05142
8220.0000 -259.58474 -255.01796 4.56678 1.87637 -254.57480 357.64772
8225.0000 -259.20047 -254.93523 4.26524 1.87753 -254.54988 361.57088
8230.0000 -258.68300 -253.74535 4.93765 1.89652 -254.14063 375.21680
8235.0000 -258.20142 -253.15805 5.04337 1.93599 -253.29045 406.26358
8240.0000 -259.24691 -254.27721 4.96970 1.91075 -253.83405 384.83795
8245.0000 -259.08612 -253.40031 5.68580 1.88386 -254.41347 366.55408
8250.0000 -259.14131 -253.91090 5.23041 1.92649 -253.49499 396.42039
FREEZING PROCESS: loop number 34 T-loop= 354.00000000000000
main_MD> interactions number 34 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68647 0.94234 2.22305
force_rgl> df(natom) 0.95588 0.52633 1.68241
8255.0000 -259.54615 -255.24978 4.29638 1.86487 -254.82268 351.72312
8260.0000 -259.65833 -255.57840 4.07992 1.85466 -255.04247 343.98253
8265.0000 -259.23718 -254.84962 4.38756 1.85244 -255.09046 342.86241
8270.0000 -259.03091 -254.51784 4.51307 1.87266 -254.65483 356.95410
8275.0000 -258.72046 -254.39968 4.32078 1.89042 -254.27216 372.67635
8280.0000 -259.39294 -254.89725 4.49568 1.87143 -254.68137 354.20694
8285.0000 -259.11693 -254.43393 4.68300 1.88963 -254.28914 371.62597
8290.0000 -259.34878 -254.25251 5.09627 1.88258 -254.44104 367.41944
8295.0000 -258.92480 -254.25545 4.66935 1.90027 -254.06000 379.38553
8300.0000 -258.76163 -254.35376 4.40787 1.89877 -254.09228 376.53340
8305.0000 -259.28281 -254.74548 4.53733 1.88610 -254.36523 365.43114
8310.0000 -258.78573 -254.21834 4.56738 1.87759 -254.54850 360.23206
8315.0000 -258.62410 -253.84670 4.77740 1.90166 -254.02993 377.74308
8320.0000 -258.86956 -253.84598 5.02359 1.89258 -254.22558 370.91204
8325.0000 -259.35357 -254.57094 4.78263 1.90465 -253.96552 379.89733
8330.0000 -260.03282 -254.81803 5.21478 1.87619 -254.57869 361.16857
8335.0000 -259.39339 -254.88882 4.50458 1.86805 -254.75409 354.63172
8340.0000 -259.55655 -254.63222 4.92433 1.89231 -254.23148 373.83171
8345.0000 -258.24452 -253.46183 4.78270 1.90926 -253.86632 382.85468
8350.0000 -258.85615 -254.10508 4.75107 1.90947 -253.86174 384.79177
8355.0000 -258.52484 -254.02210 4.50275 1.87734 -254.55393 361.68497
8360.0000 -258.63288 -253.86683 4.76605 1.89496 -254.17428 372.84661
8365.0000 -259.50507 -255.26946 4.23561 1.87038 -254.70388 352.33211
8370.0000 -259.34185 -254.82189 4.51996 1.85038 -255.13471 339.59966
8375.0000 -259.68581 -255.45175 4.23406 1.85341 -255.06939 342.66280
8380.0000 -259.14646 -255.33322 3.81324 1.84520 -255.24639 337.00524
8385.0000 -259.20088 -254.70405 4.49683 1.85692 -254.99379 346.67137
8390.0000 -259.80249 -254.77156 5.03093 1.87604 -254.58191 357.59795
8395.0000 -259.26986 -254.45145 4.81841 1.87675 -254.56668 360.83587
8400.0000 -259.37329 -255.10162 4.27167 1.87664 -254.56893 360.30793
8405.0000 -260.29730 -255.83476 4.46254 1.84009 -255.35639 335.54772
8410.0000 -259.95730 -256.14152 3.81578 1.81176 -255.96673 308.85574
8415.0000 -260.06789 -255.81423 4.25366 1.81691 -255.85591 313.18474
8420.0000 -259.60730 -254.92188 4.68542 1.83777 -255.40636 329.23632
8425.0000 -258.61656 -253.93013 4.68642 1.88310 -254.42980 364.31715
8430.0000 -259.30882 -254.15551 5.15331 1.90198 -254.02314 379.90864
8435.0000 -259.02437 -254.62366 4.40071 1.88152 -254.46380 363.39749
8440.0000 -259.10267 -255.01762 4.08505 1.85216 -255.09651 341.29142
8445.0000 -258.74174 -254.72252 4.01923 1.87412 -254.62323 359.37681
8450.0000 -258.90010 -254.65360 4.24650 1.85818 -254.96682 344.45614
8455.0000 -259.62456 -254.82465 4.79991 1.87666 -254.56853 359.09463
8460.0000 -259.81064 -254.56000 5.25064 1.85765 -254.97809 347.50319
8465.0000 -259.49873 -255.33929 4.15944 1.85793 -254.97209 348.74919
8470.0000 -259.85556 -255.91448 3.94108 1.83147 -255.54216 328.01959
8475.0000 -259.25809 -254.74789 4.51020 1.84297 -255.29443 335.56693
8480.0000 -259.00041 -255.14951 3.85089 1.84587 -255.23190 335.81449
8485.0000 -260.00310 -255.79611 4.20699 1.84674 -255.21325 337.22164
8490.0000 -259.48647 -254.92094 4.56553 1.84857 -255.17387 336.73008
8495.0000 -259.03196 -254.99707 4.03490 1.85179 -255.10432 340.54944
8500.0000 -259.54632 -255.10882 4.43750 1.85232 -255.09295 343.64529
FREEZING PROCESS: loop number 35 T-loop= 329.00000000000000
main_MD> interactions number 35 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61343 0.90898 0.54236
force_rgl> df(natom) -3.53734 1.48144 -0.71028
8505.0000 -259.81756 -255.00948 4.80808 1.84128 -255.33079 333.45191
8510.0000 -259.35257 -254.79795 4.55462 1.85267 -255.08544 341.42526
8515.0000 -259.36879 -255.38599 3.98281 1.84461 -255.25917 334.24099
8520.0000 -259.83012 -255.64648 4.18364 1.82711 -255.63620 321.05754
8525.0000 -259.67181 -255.22947 4.44234 1.84151 -255.32586 332.34780
8530.0000 -259.55641 -255.02531 4.53110 1.86317 -254.85927 348.78841
8535.0000 -260.27532 -255.89021 4.38511 1.84850 -255.17533 338.03790
8540.0000 -259.95402 -256.16982 3.78420 1.80979 -256.00919 308.29180
8545.0000 -260.47380 -256.26785 4.20595 1.80182 -256.18097 303.55293
8550.0000 -260.08317 -256.18855 3.89462 1.78925 -256.45182 292.95573
8555.0000 -259.47708 -254.94159 4.53549 1.83066 -255.55959 327.35674
8560.0000 -259.46773 -254.63347 4.83426 1.85815 -254.96731 346.70500
8565.0000 -259.05146 -254.18421 4.86725 1.87119 -254.68648 354.79132
8570.0000 -259.49564 -255.26903 4.22661 1.86520 -254.81538 352.73845
8575.0000 -259.55453 -255.56015 3.99438 1.83371 -255.49399 325.06658
8580.0000 -259.20079 -255.71896 3.48183 1.82294 -255.72592 318.55189
8585.0000 -259.53151 -255.51046 4.02105 1.84295 -255.29486 334.85725
8590.0000 -259.39861 -255.07298 4.32563 1.84486 -255.25377 338.90809
8595.0000 -259.89718 -255.82714 4.07004 1.82367 -255.71025 318.44919
8600.0000 -259.94344 -255.93140 4.01205 1.82259 -255.73349 317.90030
8605.0000 -260.09497 -255.53602 4.55896 1.82689 -255.64074 321.72948
8610.0000 -259.73343 -255.25317 4.48026 1.83726 -255.41733 330.61108
8615.0000 -259.45882 -255.87271 3.58610 1.81931 -255.80408 316.43984
8620.0000 -259.74664 -255.72304 4.02360 1.81745 -255.84426 313.65738
8625.0000 -259.34385 -255.04323 4.30061 1.83834 -255.39414 328.90234
8630.0000 -260.07761 -256.41244 3.66516 1.81954 -255.79914 315.08643
8635.0000 -260.27912 -256.45543 3.82370 1.78503 -256.54278 288.88630
8640.0000 -259.85993 -254.97771 4.88223 1.82297 -255.72526 317.47907
8645.0000 -259.87126 -255.94550 3.92575 1.83727 -255.41712 330.40406
8650.0000 -259.28793 -255.42732 3.86062 1.82361 -255.71157 316.88001
8655.0000 -259.62220 -255.36529 4.25691 1.83037 -255.56588 324.29650
8660.0000 -259.49151 -255.08347 4.40804 1.84214 -255.31224 333.41544
8665.0000 -259.02389 -254.80765 4.21623 1.84990 -255.14503 342.34459
8670.0000 -260.11170 -255.90441 4.20728 1.84446 -255.26222 336.02626
8675.0000 -260.22474 -256.44301 3.78173 1.81873 -255.81663 317.46211
8680.0000 -259.54174 -254.96399 4.57775 1.82363 -255.71117 319.47151
8685.0000 -259.35558 -255.05338 4.30220 1.86814 -254.75216 349.26187
8690.0000 -260.73412 -256.48581 4.24831 1.82700 -255.63844 322.39297
8695.0000 -260.13062 -256.07086 4.05976 1.79307 -256.36947 298.09748
8700.0000 -259.63915 -255.25406 4.38509 1.82610 -255.65797 322.69002
8705.0000 -259.94407 -255.96999 3.97409 1.83240 -255.52208 325.57686
8710.0000 -259.70428 -255.28382 4.42047 1.83749 -255.41252 327.46501
8715.0000 -259.75762 -256.09887 3.65875 1.82453 -255.69167 319.58335
8720.0000 -259.31217 -255.53147 3.78071 1.82267 -255.73166 318.47722
8725.0000 -260.00441 -255.74441 4.26000 1.82195 -255.74731 318.62129
8730.0000 -260.46193 -256.11007 4.35186 1.79856 -256.25113 300.32975
8735.0000 -259.93427 -255.86690 4.06737 1.81231 -255.95501 310.51980
8740.0000 -259.93169 -255.30873 4.62296 1.82940 -255.58681 324.53162
8745.0000 -260.04371 -255.43700 4.60671 1.84343 -255.28458 334.90562
8750.0000 -259.82106 -255.48338 4.33769 1.84060 -255.34537 333.98250
FREEZING PROCESS: loop number 36 T-loop= 304.00000000000000
main_MD> interactions number 36 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15458 -0.57217 3.17524
force_rgl> df(natom) 3.14897 -0.27081 -2.10395
8755.0000 -259.74884 -255.33541 4.41343 1.83301 -255.50891 327.17011
8760.0000 -260.01238 -256.12847 3.88391 1.82912 -255.59280 322.80042
8765.0000 -259.99079 -255.91038 4.08041 1.79135 -256.40658 292.77363
8770.0000 -260.75362 -256.58463 4.16899 1.79761 -256.27157 298.36619
8775.0000 -260.58825 -256.79302 3.79523 1.78312 -256.58391 286.38297
8780.0000 -260.71177 -256.95974 3.75203 1.78130 -256.62308 285.53187
8785.0000 -260.31806 -256.46594 3.85211 1.77728 -256.70963 284.12992
8790.0000 -259.12725 -255.45791 3.66934 1.79351 -256.35990 294.89788
8795.0000 -260.21601 -255.97814 4.23787 1.81372 -255.92450 312.69646
8800.0000 -260.48517 -256.74174 3.74344 1.78665 -256.50781 290.80054
8805.0000 -260.44791 -256.58146 3.86645 1.78909 -256.45518 292.39618
8810.0000 -259.81246 -255.85517 3.95729 1.78898 -256.45765 291.44098
8815.0000 -259.95233 -256.17630 3.77603 1.78669 -256.50700 290.28769
8820.0000 -259.86081 -255.68384 4.17696 1.80255 -256.16515 302.66246
8825.0000 -260.32795 -256.28695 4.04100 1.80454 -256.12239 304.82531
8830.0000 -260.48949 -256.65523 3.83426 1.78127 -256.62376 284.59678
8835.0000 -260.51265 -256.78211 3.73054 1.78887 -256.45986 290.51361
8840.0000 -260.03582 -256.46203 3.57379 1.77665 -256.72333 281.72569
8845.0000 -260.29693 -256.37158 3.92536 1.79369 -256.35614 294.53614
8850.0000 -260.51890 -256.07469 4.44421 1.79413 -256.34672 296.93517
8855.0000 -259.77492 -255.77452 4.00040 1.80952 -256.01497 308.80850
8860.0000 -259.92858 -255.52195 4.40663 1.80872 -256.03222 310.72142
8865.0000 -260.32268 -256.27757 4.04510 1.82505 -255.68040 318.57055
8870.0000 -260.58774 -257.13421 3.45353 1.76264 -257.02504 271.12468
8875.0000 -260.61623 -256.83021 3.78601 1.75958 -257.09109 269.24496
8880.0000 -260.06922 -256.31692 3.75230 1.77654 -256.72570 281.72071
8885.0000 -260.15119 -256.73580 3.41539 1.78127 -256.62365 286.49893
8890.0000 -259.92351 -256.02841 3.89510 1.80377 -256.13886 303.33319
8895.0000 -259.86633 -255.24154 4.62478 1.83470 -255.47258 327.13253
8900.0000 -260.45499 -256.46708 3.98790 1.82219 -255.74202 318.83224
8905.0000 -260.05456 -255.64018 4.41438 1.80489 -256.11485 305.87579
8910.0000 -260.54969 -256.35032 4.19937 1.81469 -255.90360 311.37345
8915.0000 -260.07106 -256.59267 3.47839 1.79499 -256.32803 298.79356
8920.0000 -260.03176 -256.07305 3.95871 1.80089 -256.20109 302.15156
8925.0000 -260.07650 -256.26718 3.80933 1.79143 -256.40475 294.54266
8930.0000 -260.22427 -256.26984 3.95443 1.79957 -256.22939 301.35958
8935.0000 -260.11754 -256.54786 3.56968 1.79177 -256.39738 291.26795
8940.0000 -260.15348 -256.81165 3.34183 1.77473 -256.76471 280.91868
8945.0000 -260.69793 -256.68027 4.01766 1.77668 -256.72267 282.78379
8950.0000 -260.51075 -256.77229 3.73846 1.77229 -256.81711 279.11998
8955.0000 -260.26908 -255.66582 4.60326 1.80555 -256.10061 304.59342
8960.0000 -260.03528 -255.87399 4.16129 1.82438 -255.69498 319.69446
8965.0000 -259.87680 -255.55746 4.31934 1.82917 -255.59179 323.33509
8970.0000 -259.52583 -255.17233 4.35350 1.82965 -255.58129 323.66047
8975.0000 -259.99508 -256.31570 3.67938 1.83467 -255.47319 326.16359
8980.0000 -259.96185 -256.19757 3.76428 1.80920 -256.02195 310.81831
8985.0000 -260.18688 -257.19080 2.99608 1.77903 -256.67199 286.51931
8990.0000 -260.25431 -256.18845 4.06585 1.76502 -256.97372 274.93167
8995.0000 -260.28934 -256.86904 3.42030 1.81398 -255.91895 312.08644
9000.0000 -260.73855 -257.20064 3.53792 1.76702 -256.93065 276.35763
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 18 [min], 23.5704241 [s].
main_MD> Deallocating global variables
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