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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_40/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_40.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 = 40 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 40 4000
main_MD> Size of nv and nvoiz: 40 4000
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 = 40
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> 0.16436468840218624 -1.2757577240164153E-002 -0.19935353830449429 initial drift of cluster / NP1 for coalescence
init> 0.35695500372311789 0.31663849541664024 0.26004234744466082 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5414169450628009E-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) 0.06829 2.25763 -0.00466
force_rgl> df(natom) 2.47169 2.31058 -1.95550
preparo> THERMALIZATION PROCESS AT 1091.6215222737089
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -88.115214225616597 4.0895120965053779 -92.204726322121971 5.6109130151069391E-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 31
FREEZING PROCESS: loop number 1 T-loop= 1063.0000000000000
main_MD> interactions number 1 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.10685 1.16380 1.28061
force_rgl> df(natom) 0.43518 1.44713 0.79825
5.0000 -92.83913 -88.02107 4.81806 2.53343 -88.36880 959.99406
10.0000 -95.00014 -89.46876 5.53138 2.45773 -89.25423 970.57134
15.0000 -91.42459 -86.64392 4.78067 2.56994 -87.94184 1012.65215
20.0000 -91.49261 -85.26806 6.22455 2.77624 -85.52889 1194.09496
25.0000 -94.01909 -86.98659 7.03250 2.63159 -87.22068 1054.70414
30.0000 -91.74662 -86.16165 5.58497 2.58014 -87.82255 1040.00270
35.0000 -92.46969 -87.17654 5.29316 2.69798 -86.44421 1102.81911
40.0000 -93.43000 -89.13872 4.29127 2.58191 -87.80185 1014.53334
45.0000 -92.78151 -87.08021 5.70130 2.58779 -87.73298 1069.41592
50.0000 -92.85578 -87.27247 5.58330 2.61162 -87.45435 1025.37792
55.0000 -92.13185 -86.46732 5.66453 2.67670 -86.69317 1081.77101
60.0000 -93.35632 -89.17736 4.17897 2.62318 -87.31906 1097.04856
65.0000 -94.18368 -89.67892 4.50476 2.39291 -90.01230 886.79679
70.0000 -92.37732 -88.12943 4.24789 2.47273 -89.07872 949.67122
75.0000 -91.33311 -86.24657 5.08654 2.67068 -86.76359 1080.66280
80.0000 -93.40957 -87.56195 5.84762 2.59816 -87.61174 1012.75744
85.0000 -93.42034 -86.75467 6.66568 2.55368 -88.13200 984.47445
90.0000 -91.68226 -86.63895 5.04331 2.68158 -86.63608 1081.61921
95.0000 -90.66456 -84.67650 5.98806 2.71901 -86.19824 1130.59950
100.0000 -91.18764 -84.32357 6.86407 2.83955 -84.78842 1177.93291
105.0000 -92.21747 -86.22427 5.99320 2.80083 -85.24130 1156.66416
110.0000 -92.18689 -87.04883 5.13806 2.72241 -86.15851 1137.41646
115.0000 -92.10123 -87.07670 5.02453 2.65750 -86.91768 1101.48079
120.0000 -90.92084 -85.54927 5.37158 2.68109 -86.64180 1109.96042
125.0000 -92.75320 -87.08845 5.66475 2.67862 -86.67065 1086.09459
130.0000 -91.22348 -85.65760 5.56588 2.72193 -86.16416 1105.47313
135.0000 -92.12704 -84.67265 7.45439 2.80036 -85.24682 1227.30337
140.0000 -91.41297 -85.26798 6.14499 2.77234 -85.57457 1151.06057
145.0000 -91.43834 -85.37908 6.05925 2.74524 -85.89147 1142.37565
150.0000 -92.43878 -86.95318 5.48560 2.70692 -86.33963 1130.37422
155.0000 -91.75464 -86.44296 5.31168 2.69437 -86.48651 1111.36589
160.0000 -91.62523 -86.17711 5.44813 2.69732 -86.45201 1118.19626
165.0000 -90.52011 -85.93933 4.58079 2.76120 -85.70486 1163.54481
170.0000 -92.44216 -87.46394 4.97821 2.62901 -87.25087 1072.39738
175.0000 -91.77855 -86.23597 5.54259 2.66598 -86.81848 1068.86078
180.0000 -93.16125 -87.81368 5.34758 2.57720 -87.85692 1008.17177
185.0000 -93.13095 -88.10734 5.02361 2.60630 -87.51650 1061.43132
190.0000 -91.73764 -86.54929 5.18835 2.58783 -87.73257 1044.49029
195.0000 -93.37405 -88.60841 4.76563 2.57263 -87.91036 991.33250
200.0000 -93.84800 -87.21268 6.63532 2.53843 -88.31040 999.63755
205.0000 -91.88027 -86.61636 5.26391 2.74603 -85.88227 1149.61265
210.0000 -92.32572 -85.13584 7.18988 2.74908 -85.84653 1166.47915
215.0000 -92.26066 -86.41643 5.84423 2.76743 -85.63196 1202.62380
220.0000 -91.37584 -86.49720 4.87864 2.68060 -86.64752 1056.03578
225.0000 -91.71394 -86.51248 5.20146 2.68211 -86.62982 1078.16066
230.0000 -92.39243 -85.38267 7.00975 2.74805 -85.85860 1137.62938
235.0000 -92.22577 -87.19520 5.03057 2.72232 -86.15954 1128.88337
240.0000 -92.84958 -87.11906 5.73053 2.62306 -87.32046 1080.68774
245.0000 -92.06413 -86.35832 5.70580 2.67885 -86.66795 1022.40952
250.0000 -92.80402 -85.09939 7.70462 2.75111 -85.82282 1179.55920
FREEZING PROCESS: loop number 2 T-loop= 1038.0000000000000
main_MD> interactions number 2 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36578 0.51039 1.68532
force_rgl> df(natom) -0.37256 -0.12332 1.03060
255.0000 -92.01884 -86.66965 5.34919 2.75266 -85.80472 1145.60643
260.0000 -92.77262 -86.68531 6.08730 2.71894 -86.19914 1109.69467
265.0000 -92.88120 -86.77003 6.11117 2.67231 -86.74452 1077.10007
270.0000 -93.07587 -87.17235 5.90353 2.69875 -86.43524 1171.70888
275.0000 -93.56033 -88.28133 5.27900 2.59257 -87.67707 1065.41810
280.0000 -93.84391 -88.55813 5.28579 2.49560 -88.81132 907.91644
285.0000 -93.85604 -88.35959 5.49645 2.53032 -88.40522 995.88937
290.0000 -93.93637 -88.26414 5.67223 2.51006 -88.64214 949.11656
295.0000 -94.25303 -88.96669 5.28634 2.55665 -88.09728 1018.03790
300.0000 -92.82490 -88.43016 4.39475 2.44335 -89.42239 897.64766
305.0000 -92.93500 -87.56858 5.36642 2.52741 -88.43925 998.03390
310.0000 -93.29417 -88.03776 5.25640 2.57520 -87.88023 1043.39573
315.0000 -91.80145 -86.93009 4.87137 2.61320 -87.43584 1058.19976
320.0000 -93.57479 -87.45258 6.12221 2.67025 -86.76858 1095.61911
325.0000 -91.66411 -86.34806 5.31605 2.67167 -86.75199 1084.07526
330.0000 -93.90560 -88.10692 5.79869 2.68056 -86.64794 1098.45817
335.0000 -92.75329 -87.82447 4.92883 2.59212 -87.68238 997.86618
340.0000 -93.48407 -87.84077 5.64330 2.56139 -88.04185 992.50985
345.0000 -93.15393 -86.85579 6.29813 2.59271 -87.67549 1044.49958
350.0000 -92.34255 -87.56762 4.77492 2.66500 -86.82993 1089.08713
355.0000 -92.41750 -87.09422 5.32327 2.64036 -87.11820 1055.63345
360.0000 -92.13053 -86.87333 5.25719 2.60038 -87.58578 966.50402
365.0000 -92.71843 -87.09085 5.62758 2.67339 -86.73188 1078.21444
370.0000 -92.47354 -87.69312 4.78042 2.60151 -87.57250 1051.96699
375.0000 -92.59991 -87.30099 5.29892 2.60747 -87.50284 1042.75350
380.0000 -91.89448 -86.69961 5.19487 2.66699 -86.80674 1087.50034
385.0000 -93.31764 -87.20433 6.11331 2.66509 -86.82891 1076.28491
390.0000 -93.79995 -87.53366 6.26629 2.61957 -87.36129 1102.74475
395.0000 -91.23692 -86.72620 4.51072 2.57282 -87.90814 1004.42360
400.0000 -94.42984 -87.88805 6.54179 2.58883 -87.72090 1043.76191
405.0000 -93.58071 -88.68069 4.90001 2.54498 -88.23379 1007.40395
410.0000 -94.05078 -89.65270 4.39809 2.44310 -89.42534 951.59707
415.0000 -93.53949 -88.15495 5.38454 2.50133 -88.74426 946.26597
420.0000 -93.91641 -88.61752 5.29889 2.57337 -87.90172 1022.52352
425.0000 -94.30811 -88.24965 6.05846 2.48634 -88.91954 963.27150
430.0000 -94.24266 -88.81556 5.42710 2.53558 -88.34365 1003.11998
435.0000 -94.66661 -88.84360 5.82301 2.48984 -88.87861 948.44758
440.0000 -93.18220 -87.92821 5.25399 2.57079 -87.93183 1047.72545
445.0000 -94.31295 -89.19703 5.11592 2.53595 -88.33932 997.74707
450.0000 -93.82545 -89.15745 4.66800 2.50661 -88.68246 964.06015
455.0000 -93.02269 -87.97318 5.04952 2.54000 -88.29198 982.82589
460.0000 -91.99645 -87.11763 4.87881 2.57795 -87.84809 1002.16117
465.0000 -93.95931 -88.81549 5.14381 2.51156 -88.62456 990.51734
470.0000 -93.45696 -87.27145 6.18551 2.59156 -87.68898 1056.82612
475.0000 -94.12018 -89.10666 5.01352 2.60077 -87.58127 985.76011
480.0000 -94.39386 -88.73015 5.66371 2.50251 -88.73049 951.69818
485.0000 -93.30234 -87.88303 5.41931 2.58451 -87.77139 1032.02045
490.0000 -93.76257 -88.62130 5.14127 2.56813 -87.96294 1032.67904
495.0000 -93.83092 -87.71844 6.11248 2.60674 -87.51133 1044.84996
500.0000 -92.67666 -86.73668 5.93997 2.62588 -87.28753 1084.28994
FREEZING PROCESS: loop number 3 T-loop= 1013.0000000000000
main_MD> interactions number 3 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14441 0.39602 1.99062
force_rgl> df(natom) 1.78541 2.27911 1.45956
505.0000 -92.90475 -87.14965 5.75510 2.66678 -86.80913 1158.01812
510.0000 -94.09886 -87.97172 6.12714 2.57832 -87.84381 991.00432
515.0000 -94.52477 -89.62615 4.89863 2.45247 -89.31569 912.49505
520.0000 -94.39520 -89.68234 4.71286 2.48222 -88.96774 960.79349
525.0000 -93.73538 -89.16741 4.56798 2.40354 -89.88803 885.80427
530.0000 -94.37580 -88.38845 5.98735 2.51441 -88.59128 972.33282
535.0000 -93.90375 -89.93401 3.96974 2.45821 -89.24856 968.72800
540.0000 -94.14796 -89.05718 5.09078 2.49046 -88.87141 939.35294
545.0000 -93.12272 -88.13389 4.98883 2.47197 -89.08768 913.98449
550.0000 -92.34728 -87.39880 4.94849 2.53657 -88.33204 968.61816
555.0000 -93.53722 -88.59740 4.93982 2.62179 -87.33538 1029.81343
560.0000 -93.84306 -87.88479 5.95827 2.53801 -88.31521 992.49971
565.0000 -95.27212 -90.15101 5.12112 2.47511 -89.05091 957.28320
570.0000 -92.85227 -88.56974 4.28253 2.46529 -89.16575 936.65242
575.0000 -93.83410 -87.78574 6.04836 2.61669 -87.39496 1053.01273
580.0000 -91.74235 -86.41479 5.32757 2.66352 -86.84733 1116.16835
585.0000 -92.83085 -88.17261 4.65824 2.58220 -87.79842 1022.39651
590.0000 -92.92887 -88.52640 4.40247 2.50271 -88.72812 944.72474
595.0000 -94.18582 -89.26309 4.92272 2.47737 -89.02451 940.58634
600.0000 -93.73374 -89.18058 4.55316 2.52216 -88.50063 978.73460
605.0000 -94.89037 -89.59566 5.29471 2.49699 -88.79502 977.30070
610.0000 -92.32841 -87.52183 4.80658 2.52665 -88.44814 989.87519
615.0000 -91.75359 -86.84920 4.90440 2.66623 -86.81554 1093.01441
620.0000 -93.24204 -88.54845 4.69359 2.61621 -87.40058 1072.45904
625.0000 -93.00509 -87.43254 5.57255 2.51832 -88.54557 978.24121
630.0000 -93.51859 -88.64408 4.87451 2.53414 -88.36053 963.53655
635.0000 -92.94196 -87.71627 5.22569 2.59143 -87.69047 1003.46219
640.0000 -92.99308 -88.55864 4.43444 2.53746 -88.32167 953.93874
645.0000 -94.25642 -88.89787 5.35855 2.51426 -88.59306 1015.09724
650.0000 -93.89205 -88.03209 5.85996 2.51718 -88.55890 986.45192
655.0000 -93.58180 -87.83238 5.74942 2.58081 -87.81466 1008.21090
660.0000 -94.10065 -87.43759 6.66306 2.61456 -87.41992 1015.11541
665.0000 -92.32742 -85.84841 6.47901 2.70285 -86.38725 1170.39194
670.0000 -92.79731 -86.56228 6.23503 2.70254 -86.39089 1154.02658
675.0000 -92.96654 -87.04942 5.91712 2.63851 -87.13985 1069.65170
680.0000 -92.76586 -87.64282 5.12304 2.62920 -87.24874 1009.58047
685.0000 -93.90541 -88.26683 5.63858 2.58883 -87.72083 1033.07689
690.0000 -91.98501 -86.14802 5.83699 2.63132 -87.22387 1031.85128
695.0000 -92.59773 -86.20325 6.39448 2.68727 -86.56945 1072.05327
700.0000 -91.91352 -86.67801 5.23551 2.71497 -86.24550 1083.56844
705.0000 -90.31699 -84.65906 5.65793 2.76300 -85.68372 1128.35137
710.0000 -91.27493 -85.54744 5.72749 2.79619 -85.29551 1148.64582
715.0000 -91.46091 -85.74765 5.71325 2.74444 -85.90088 1147.23689
720.0000 -93.48435 -88.43587 5.04848 2.65691 -86.92455 1063.93923
725.0000 -92.60447 -87.42489 5.17958 2.53889 -88.30494 972.96417
730.0000 -92.53228 -86.03267 6.49960 2.68339 -86.61486 1101.98992
735.0000 -92.13138 -85.35248 6.77891 2.69975 -86.42351 1074.94429
740.0000 -90.25968 -85.14468 5.11499 2.76783 -85.62724 1164.40451
745.0000 -92.00209 -87.01313 4.98896 2.73860 -85.96916 1163.03605
750.0000 -92.66454 -88.35805 4.30649 2.59818 -87.61155 1004.18729
FREEZING PROCESS: loop number 4 T-loop= 988.00000000000000
main_MD> interactions number 4 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16326 -6.54010 1.82952
force_rgl> df(natom) -1.11510 6.75009 -0.43050
755.0000 -94.16468 -89.74441 4.42027 2.48077 -88.98479 932.91347
760.0000 -94.46310 -88.81581 5.64729 2.40482 -89.87303 889.14477
765.0000 -93.62985 -88.67893 4.95092 2.54240 -88.26397 1005.34297
770.0000 -93.43776 -87.78277 5.65498 2.50928 -88.65127 961.01184
775.0000 -93.90068 -87.97716 5.92352 2.57157 -87.92276 1027.38078
780.0000 -94.56125 -89.26972 5.29153 2.47933 -89.00153 920.61952
785.0000 -93.89780 -88.91119 4.98661 2.51893 -88.53844 963.99006
790.0000 -94.46837 -88.51064 5.95772 2.54778 -88.20095 1024.88087
795.0000 -91.74875 -86.50559 5.24316 2.59660 -87.63000 1051.44989
800.0000 -90.99591 -85.80881 5.18710 2.72516 -86.12634 1085.38943
805.0000 -94.29610 -88.65303 5.64307 2.59962 -87.59468 1023.91256
810.0000 -92.66449 -87.26429 5.40020 2.58726 -87.73926 1043.60354
815.0000 -92.92137 -86.92511 5.99627 2.65105 -86.99308 1049.09173
820.0000 -92.87243 -88.07955 4.79288 2.54582 -88.22389 1012.70246
825.0000 -94.56289 -88.60922 5.95367 2.55311 -88.13860 961.42521
830.0000 -93.44686 -89.18448 4.26239 2.46836 -89.12986 958.15783
835.0000 -94.76896 -89.41358 5.35538 2.42560 -89.63000 941.39150
840.0000 -95.20430 -90.15304 5.05126 2.34035 -90.62713 832.55273
845.0000 -94.11194 -88.93123 5.18071 2.42196 -89.67264 911.17917
850.0000 -93.55822 -89.84425 3.71396 2.44436 -89.41064 906.75136
855.0000 -93.69185 -89.19655 4.49529 2.42648 -89.61973 892.02389
860.0000 -92.28326 -87.28078 5.00249 2.53858 -88.30853 989.73146
865.0000 -92.65082 -86.96755 5.68327 2.66984 -86.77332 1084.98425
870.0000 -92.64563 -86.60929 6.03634 2.63198 -87.21614 1036.79307
875.0000 -93.14569 -88.00370 5.14199 2.62217 -87.33094 1063.45800
880.0000 -92.48774 -87.29148 5.19626 2.59432 -87.65661 992.24992
885.0000 -93.79671 -87.76547 6.03124 2.55565 -88.10888 959.58290
890.0000 -91.97514 -88.12641 3.84873 2.54116 -88.27842 999.87380
895.0000 -94.78588 -89.76957 5.01631 2.52261 -88.49538 982.82752
900.0000 -95.41569 -89.97442 5.44127 2.38204 -90.13949 888.81013
905.0000 -94.98213 -90.53916 4.44297 2.39103 -90.03437 884.83214
910.0000 -92.93649 -88.65054 4.28595 2.43606 -89.50762 884.38632
915.0000 -93.24536 -88.62476 4.62059 2.46325 -89.18966 932.21579
920.0000 -93.98960 -88.64927 5.34033 2.47479 -89.05467 904.36360
925.0000 -92.05082 -86.30241 5.74842 2.61166 -87.45386 1046.94793
930.0000 -91.81728 -87.20867 4.60860 2.69727 -86.45255 1123.12965
935.0000 -93.16543 -86.95996 6.20547 2.69863 -86.43664 1174.73928
940.0000 -93.06240 -88.15301 4.90939 2.60534 -87.52778 1061.03471
945.0000 -92.83843 -87.60671 5.23172 2.58327 -87.78594 1006.01986
950.0000 -93.47693 -89.42558 4.05135 2.50124 -88.74535 926.00419
955.0000 -94.87325 -88.33598 6.53727 2.50715 -88.67625 986.05248
960.0000 -95.32130 -90.11835 5.20295 2.45298 -89.30972 950.24964
965.0000 -95.04809 -90.45185 4.59623 2.39814 -89.95122 899.72345
970.0000 -93.19279 -88.01971 5.17308 2.48010 -88.99258 964.84675
975.0000 -93.19433 -88.81570 4.37862 2.54476 -88.23630 984.59334
980.0000 -91.96868 -87.45779 4.51089 2.52235 -88.49836 977.89408
985.0000 -92.72698 -88.52719 4.19979 2.57467 -87.88644 1031.98649
990.0000 -92.39644 -87.12587 5.27057 2.62192 -87.33385 1012.81299
995.0000 -92.58800 -86.29484 6.29317 2.69797 -86.44441 1112.58113
1000.0000 -91.84834 -86.82307 5.02528 2.77472 -85.54668 1200.97743
FREEZING PROCESS: loop number 5 T-loop= 963.00000000000000
main_MD> interactions number 5 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38259 -1.79147 4.05687
force_rgl> df(natom) 7.69358 8.13032 3.95606
1005.0000 -92.67296 -87.10851 5.56445 2.65317 -86.96838 1098.56637
1010.0000 -92.77460 -87.32729 5.44731 2.62771 -87.26612 1059.65744
1015.0000 -93.07782 -86.83043 6.24739 2.56721 -87.97375 1019.58353
1020.0000 -93.00230 -88.36459 4.63771 2.62480 -87.30010 1043.64657
1025.0000 -93.05297 -87.96690 5.08606 2.57567 -87.87475 1007.85548
1030.0000 -92.84864 -88.36936 4.47929 2.54653 -88.21556 993.48982
1035.0000 -94.34692 -89.13146 5.21545 2.51216 -88.61760 956.50340
1040.0000 -93.32219 -88.96102 4.36117 2.51628 -88.56942 933.74323
1045.0000 -94.55842 -90.21669 4.34173 2.41026 -89.80943 848.12650
1050.0000 -95.35568 -91.09184 4.26384 2.36375 -90.35341 869.51785
1055.0000 -94.15935 -89.55954 4.59981 2.34694 -90.55005 800.82959
1060.0000 -94.33279 -90.80406 3.52874 2.38944 -90.05289 864.52355
1065.0000 -93.31819 -87.83273 5.48545 2.42662 -89.61806 888.80667
1070.0000 -92.01224 -86.85548 5.15677 2.62564 -87.29032 1051.01329
1075.0000 -93.89651 -89.35041 4.54610 2.57100 -87.92944 1031.04620
1080.0000 -94.27841 -89.39225 4.88615 2.45685 -89.26450 862.65510
1085.0000 -92.86929 -89.01528 3.85401 2.46749 -89.14012 872.29718
1090.0000 -93.78473 -88.82880 4.95594 2.55188 -88.15300 1026.37781
1095.0000 -94.87514 -89.68355 5.19159 2.46691 -89.14683 963.33315
1100.0000 -94.92975 -90.35818 4.57157 2.42895 -89.59084 901.83632
1105.0000 -93.75654 -89.51313 4.24341 2.38496 -90.10531 882.23363
1110.0000 -93.81234 -89.46625 4.34609 2.43956 -89.46673 902.32891
1115.0000 -93.62416 -89.46324 4.16092 2.45112 -89.33156 908.45799
1120.0000 -93.21533 -87.35775 5.85758 2.46418 -89.17874 916.10531
1125.0000 -94.14071 -88.39617 5.74454 2.58549 -87.75995 1013.40999
1130.0000 -93.75811 -88.14209 5.61601 2.50478 -88.70387 978.38592
1135.0000 -94.72802 -88.95634 5.77169 2.55120 -88.16102 1003.16795
1140.0000 -93.14733 -88.07109 5.07623 2.49202 -88.85321 917.55702
1145.0000 -93.78990 -88.38101 5.40889 2.52335 -88.48667 987.10009
1150.0000 -94.00903 -89.35818 4.65085 2.45808 -89.25014 894.99884
1155.0000 -94.30007 -89.48684 4.81324 2.45071 -89.33638 938.14293
1160.0000 -94.12834 -88.19823 5.93011 2.48101 -88.98188 948.70604
1165.0000 -92.93093 -86.85127 6.07966 2.63201 -87.21585 1080.77857
1170.0000 -93.62296 -88.26452 5.35844 2.59537 -87.64439 1028.14240
1175.0000 -92.20893 -87.44978 4.75915 2.56950 -87.94693 980.37548
1180.0000 -93.88700 -88.01081 5.87618 2.58734 -87.73829 1006.83929
1185.0000 -93.67352 -88.67674 4.99678 2.56404 -88.01078 1027.97286
1190.0000 -93.93375 -89.32575 4.60801 2.49649 -88.80085 946.51087
1195.0000 -94.25116 -90.03731 4.21385 2.41625 -89.73936 900.85244
1200.0000 -93.67944 -89.37239 4.30705 2.42923 -89.58752 883.92930
1205.0000 -94.12768 -89.60359 4.52409 2.44927 -89.35314 888.79137
1210.0000 -94.75961 -90.04396 4.71565 2.47769 -89.02080 946.09399
1215.0000 -92.89306 -88.13967 4.75339 2.48653 -88.91740 975.92251
1220.0000 -94.21641 -88.75695 5.45947 2.46246 -89.19889 897.31303
1225.0000 -93.47593 -88.29092 5.18501 2.59585 -87.63881 994.53546
1230.0000 -93.15323 -88.24114 4.91209 2.52260 -88.49552 982.49075
1235.0000 -93.27963 -87.84835 5.43128 2.56830 -87.96093 1032.26028
1240.0000 -93.11582 -87.97340 5.14242 2.56013 -88.05648 1013.98774
1245.0000 -92.99344 -88.05015 4.94328 2.57801 -87.84736 1010.79421
1250.0000 -93.77022 -87.75928 6.01094 2.56318 -88.02084 1022.38208
FREEZING PROCESS: loop number 6 T-loop= 938.00000000000000
main_MD> interactions number 6 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67018 0.48654 5.59359
force_rgl> df(natom) -2.32706 -0.21217 2.79337
1255.0000 -94.76391 -88.61931 6.14460 2.54324 -88.25410 999.82455
1260.0000 -93.75150 -88.95144 4.80006 2.48734 -88.90789 978.80170
1265.0000 -92.72285 -87.99643 4.72643 2.59984 -87.59213 1025.21922
1270.0000 -93.48233 -87.74325 5.73908 2.53475 -88.35337 978.44004
1275.0000 -93.15583 -87.35167 5.80415 2.60609 -87.51898 1026.67261
1280.0000 -93.80212 -88.51244 5.28969 2.64825 -87.02594 1043.94288
1285.0000 -92.48331 -86.62234 5.86097 2.59200 -87.68379 967.19962
1290.0000 -92.95766 -87.45750 5.50016 2.63008 -87.23843 1074.56231
1295.0000 -93.35501 -88.19326 5.16175 2.56036 -88.05379 1013.94729
1300.0000 -92.82411 -88.26015 4.56396 2.54658 -88.21502 1002.77312
1305.0000 -94.71144 -89.85279 4.85866 2.44780 -89.37032 934.41062
1310.0000 -93.96415 -88.68818 5.27597 2.38911 -90.05681 871.52737
1315.0000 -94.44979 -89.63634 4.81345 2.42486 -89.63861 854.04185
1320.0000 -93.14926 -86.97395 6.17531 2.48918 -88.88643 962.46386
1325.0000 -93.09527 -88.38108 4.71419 2.60344 -87.55001 1037.52491
1330.0000 -93.90193 -89.37497 4.52696 2.41868 -89.71091 913.42581
1335.0000 -93.87053 -89.63276 4.23778 2.43890 -89.47442 913.94535
1340.0000 -94.38946 -89.71473 4.67473 2.44602 -89.39121 898.60324
1345.0000 -92.28692 -88.79350 3.49342 2.49833 -88.77938 967.35112
1350.0000 -93.13649 -88.20984 4.92665 2.49070 -88.86864 980.32822
1355.0000 -95.82484 -91.05141 4.77343 2.45253 -89.31498 919.23237
1360.0000 -93.55068 -89.92909 3.62158 2.36642 -90.32218 871.27273
1365.0000 -94.91377 -89.59657 5.31720 2.43181 -89.55736 929.19266
1370.0000 -95.58307 -91.30260 4.28047 2.41566 -89.74626 900.05226
1375.0000 -94.55951 -90.20704 4.35246 2.33392 -90.70232 808.06041
1380.0000 -93.41658 -88.08606 5.33052 2.47663 -89.03317 941.41160
1385.0000 -94.23567 -89.42921 4.80647 2.47776 -89.01999 962.37354
1390.0000 -93.87536 -89.40106 4.47429 2.39593 -89.97706 895.11859
1395.0000 -93.69649 -89.05052 4.64598 2.51267 -88.61162 940.58702
1400.0000 -93.57341 -89.29051 4.28290 2.50465 -88.70549 908.54503
1405.0000 -93.54769 -88.43270 5.11499 2.51570 -88.57615 980.16754
1410.0000 -93.81090 -87.67080 6.14009 2.56911 -87.95150 1043.56286
1415.0000 -92.71534 -87.85650 4.85884 2.60518 -87.52959 1017.27499
1420.0000 -94.41191 -89.94642 4.46549 2.48549 -88.92951 940.06765
1425.0000 -95.09977 -89.53263 5.56714 2.38285 -90.12999 890.67222
1430.0000 -93.44417 -88.84704 4.59713 2.39115 -90.03299 869.62322
1435.0000 -94.03377 -90.61627 3.41751 2.42139 -89.67929 949.26737
1440.0000 -94.62343 -89.32773 5.29570 2.35753 -90.42617 827.66864
1445.0000 -93.32111 -88.84744 4.47367 2.47628 -89.03723 924.02962
1450.0000 -93.90227 -88.26603 5.63624 2.56325 -88.02009 994.82206
1455.0000 -93.72299 -88.66554 5.05745 2.49848 -88.77763 972.35843
1460.0000 -94.68578 -89.99724 4.68853 2.39132 -90.03093 891.31920
1465.0000 -93.98863 -89.87737 4.11126 2.37923 -90.17240 888.93625
1470.0000 -93.50530 -88.65597 4.84933 2.48110 -88.98082 955.24857
1475.0000 -93.00871 -87.96408 5.04463 2.51547 -88.57884 956.33850
1480.0000 -90.71723 -85.67903 5.03820 2.64055 -87.11591 1049.07204
1485.0000 -92.87659 -87.15377 5.72282 2.59719 -87.62313 1052.79050
1490.0000 -93.11308 -87.34647 5.76661 2.66238 -86.86062 1096.42609
1495.0000 -93.98991 -89.12654 4.86337 2.49871 -88.77495 956.04838
1500.0000 -94.01395 -89.12175 4.89221 2.53364 -88.36639 973.92150
FREEZING PROCESS: loop number 7 T-loop= 913.00000000000000
main_MD> interactions number 7 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49765 1.72895 1.07460
force_rgl> df(natom) -4.18084 -0.27264 -2.72057
1505.0000 -95.57249 -90.60302 4.96946 2.39497 -89.98830 797.99533
1510.0000 -93.90171 -89.75461 4.14710 2.35766 -90.42462 817.51657
1515.0000 -95.06598 -90.52559 4.54039 2.34610 -90.55990 828.20756
1520.0000 -95.48817 -90.41464 5.07353 2.37490 -90.22295 886.40237
1525.0000 -95.44055 -90.92356 4.51698 2.31070 -90.97387 826.12498
1530.0000 -93.33199 -88.67162 4.66036 2.43416 -89.52992 935.09569
1535.0000 -93.18336 -88.45475 4.72861 2.45577 -89.27708 901.43581
1540.0000 -94.16883 -89.27543 4.89340 2.49244 -88.84822 918.55395
1545.0000 -93.28131 -88.64662 4.63469 2.47917 -89.00339 920.01817
1550.0000 -92.82114 -87.51214 5.30900 2.55793 -88.08226 953.18372
1555.0000 -92.59927 -87.35185 5.24742 2.55603 -88.10449 971.24969
1560.0000 -93.14338 -89.56381 3.57957 2.53643 -88.33379 954.11181
1565.0000 -93.98690 -88.40474 5.58216 2.43996 -89.46201 911.70594
1570.0000 -94.07536 -89.92571 4.14965 2.44764 -89.37227 931.00972
1575.0000 -94.47927 -89.66513 4.81414 2.39193 -90.02387 872.40291
1580.0000 -94.24072 -89.91722 4.32350 2.34766 -90.54162 840.70359
1585.0000 -95.07067 -90.32289 4.74778 2.42076 -89.68666 889.50994
1590.0000 -94.06723 -89.18687 4.88037 2.41873 -89.71033 924.18387
1595.0000 -93.61468 -89.54229 4.07240 2.43143 -89.56177 879.22407
1600.0000 -93.28165 -88.89568 4.38597 2.44403 -89.41441 893.29455
1605.0000 -93.83997 -89.62237 4.21760 2.48948 -88.88289 932.77004
1610.0000 -95.16482 -89.63617 5.52865 2.44354 -89.42020 906.53226
1615.0000 -94.75339 -89.34934 5.40404 2.43672 -89.49992 924.66323
1620.0000 -94.29866 -89.40200 4.89666 2.45757 -89.25607 930.23978
1625.0000 -93.61523 -89.73591 3.87931 2.53495 -88.35104 982.57783
1630.0000 -94.06688 -89.40093 4.66595 2.50586 -88.69133 967.26520
1635.0000 -94.70382 -90.14527 4.55856 2.35534 -90.45175 871.87604
1640.0000 -94.55793 -90.26370 4.29423 2.38397 -90.11694 863.74693
1645.0000 -92.65382 -89.01212 3.64170 2.43733 -89.49286 918.11510
1650.0000 -93.29475 -88.93663 4.35813 2.49782 -88.78529 939.20516
1655.0000 -94.52313 -90.00558 4.51755 2.47567 -89.04436 922.66061
1660.0000 -94.18493 -90.31661 3.86832 2.42372 -89.65197 884.82655
1665.0000 -94.76620 -90.32567 4.44053 2.39205 -90.02246 860.74808
1670.0000 -95.07938 -90.76353 4.31585 2.34800 -90.53764 835.69743
1675.0000 -93.10656 -88.04592 5.06063 2.45252 -89.31518 944.21617
1680.0000 -92.73307 -87.88009 4.85299 2.60002 -87.58996 1038.52409
1685.0000 -95.18828 -88.89898 6.28930 2.53151 -88.39131 986.65581
1690.0000 -93.86493 -89.89993 3.96500 2.43316 -89.54159 926.42033
1695.0000 -93.94078 -89.88814 4.05264 2.40631 -89.85568 881.52435
1700.0000 -93.24151 -88.87683 4.36468 2.45716 -89.26087 922.31915
1705.0000 -94.18400 -90.05108 4.13292 2.47317 -89.07368 933.82527
1710.0000 -94.58144 -89.34848 5.23296 2.40366 -89.88666 883.86370
1715.0000 -95.11896 -89.76909 5.34987 2.37836 -90.18253 842.27290
1720.0000 -94.04631 -88.76064 5.28568 2.44307 -89.42566 950.35002
1725.0000 -92.78821 -87.22055 5.56766 2.52913 -88.41913 977.08566
1730.0000 -92.95781 -87.32430 5.63351 2.63804 -87.14533 1079.99446
1735.0000 -93.55475 -88.75594 4.79881 2.55634 -88.10083 1013.09800
1740.0000 -94.92901 -90.64660 4.28241 2.33949 -90.63718 823.00608
1745.0000 -96.27493 -91.16880 5.10613 2.28667 -91.25495 766.06807
1750.0000 -94.21877 -89.80947 4.40930 2.37002 -90.28005 874.73684
FREEZING PROCESS: loop number 8 T-loop= 888.00000000000000
main_MD> interactions number 8 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53765 0.89228 -2.23593
force_rgl> df(natom) -0.45310 -1.05055 1.67837
1755.0000 -95.09295 -90.87254 4.22041 2.36384 -90.35233 885.52351
1760.0000 -94.98321 -91.03399 3.94922 2.27306 -91.41417 756.42798
1765.0000 -94.56950 -88.86169 5.70782 2.40913 -89.82263 897.86942
1770.0000 -93.68762 -89.36818 4.31945 2.50889 -88.65582 921.19578
1775.0000 -93.19563 -87.50787 5.68776 2.58212 -87.79939 1007.90256
1780.0000 -94.73226 -89.59328 5.13898 2.54504 -88.23302 979.34863
1785.0000 -93.46054 -88.38194 5.07860 2.46948 -89.11678 954.55435
1790.0000 -96.15230 -91.72544 4.42686 2.39841 -89.94804 894.38990
1795.0000 -95.06025 -90.14545 4.91481 2.28957 -91.22102 805.88364
1800.0000 -93.47532 -88.68806 4.78726 2.42207 -89.67127 913.86349
1805.0000 -94.31036 -90.06722 4.24313 2.46348 -89.18700 930.24900
1810.0000 -94.28430 -89.93379 4.35051 2.41028 -89.80923 834.96633
1815.0000 -94.03923 -89.46697 4.57226 2.41834 -89.71494 908.22700
1820.0000 -94.61911 -90.36301 4.25610 2.42425 -89.64578 865.48839
1825.0000 -94.72009 -90.15759 4.56250 2.38016 -90.16151 879.82730
1830.0000 -94.47330 -89.59403 4.87927 2.41339 -89.77286 894.69232
1835.0000 -93.47189 -88.47054 5.00135 2.47065 -89.10307 878.77460
1840.0000 -93.08725 -89.23321 3.85404 2.40403 -89.88233 844.16528
1845.0000 -93.60237 -89.23885 4.36352 2.46068 -89.21973 883.92863
1850.0000 -94.74732 -90.02620 4.72112 2.40979 -89.81495 871.53301
1855.0000 -94.89021 -89.98975 4.90046 2.35931 -90.40539 860.20822
1860.0000 -94.77197 -90.19208 4.57988 2.34402 -90.58419 857.93669
1865.0000 -94.37259 -89.55534 4.81725 2.46875 -89.12528 933.37141
1870.0000 -92.56301 -87.25704 5.30598 2.51498 -88.58463 976.99666
1875.0000 -93.78147 -88.94178 4.83968 2.53880 -88.30603 1010.02297
1880.0000 -94.48890 -90.41731 4.07159 2.41536 -89.74980 926.03971
1885.0000 -94.31593 -90.31438 4.00155 2.38451 -90.11062 855.95194
1890.0000 -95.09533 -90.70124 4.39409 2.28800 -91.23935 739.01051
1895.0000 -96.24729 -91.59874 4.64855 2.30501 -91.04043 819.40793
1900.0000 -93.56449 -89.48959 4.07490 2.34041 -90.62645 847.41057
1905.0000 -93.69559 -89.17853 4.51706 2.46995 -89.11126 941.02614
1910.0000 -94.69099 -89.39220 5.29879 2.46646 -89.15215 983.83796
1915.0000 -94.60267 -89.62580 4.97687 2.46385 -89.18262 980.10965
1920.0000 -92.35756 -87.24443 5.11312 2.46698 -89.14603 922.26506
1925.0000 -94.42890 -88.95849 5.47041 2.58042 -87.81921 1014.69823
1930.0000 -94.31529 -89.04116 5.27412 2.42248 -89.66654 918.14939
1935.0000 -94.68741 -90.21436 4.47304 2.47621 -89.03810 949.84966
1940.0000 -94.46991 -89.56471 4.90521 2.41934 -89.70321 902.80522
1945.0000 -95.02618 -90.23319 4.79299 2.41337 -89.77308 902.06699
1950.0000 -94.16295 -90.09555 4.06740 2.36843 -90.29864 849.74880
1955.0000 -95.19646 -90.76571 4.43074 2.42229 -89.66873 938.51027
1960.0000 -94.42243 -90.57845 3.84397 2.30953 -90.98763 774.96435
1965.0000 -95.64190 -90.68586 4.95604 2.40981 -89.81468 873.49761
1970.0000 -95.50841 -90.74436 4.76405 2.37429 -90.23013 855.22411
1975.0000 -95.65354 -90.93523 4.71831 2.33100 -90.73647 821.02199
1980.0000 -93.29075 -89.03724 4.25351 2.41164 -89.79329 855.24127
1985.0000 -95.10890 -90.59464 4.51426 2.42782 -89.60405 894.37567
1990.0000 -95.08182 -90.85421 4.22761 2.32371 -90.82170 806.82530
1995.0000 -95.49702 -91.23044 4.26658 2.35151 -90.49655 811.53641
2000.0000 -94.07719 -89.96106 4.11613 2.36301 -90.36210 849.25322
FREEZING PROCESS: loop number 9 T-loop= 863.00000000000000
main_MD> interactions number 9 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32611 1.84678 -0.50406
force_rgl> df(natom) -1.79638 -1.49243 1.70176
2005.0000 -94.11502 -89.36709 4.74793 2.41498 -89.75419 883.36819
2010.0000 -94.80949 -89.99585 4.81364 2.38004 -90.16289 861.02807
2015.0000 -93.57308 -89.78730 3.78579 2.40888 -89.82562 885.91925
2020.0000 -94.32054 -89.87424 4.44630 2.40571 -89.86269 900.23463
2025.0000 -94.87562 -89.55280 5.32282 2.42905 -89.58966 911.82959
2030.0000 -94.84855 -89.57691 5.27163 2.42980 -89.58094 902.57130
2035.0000 -93.35405 -88.84979 4.50426 2.43066 -89.57088 899.16858
2040.0000 -94.56283 -89.72113 4.84170 2.44062 -89.45431 905.44744
2045.0000 -95.53601 -90.01599 5.52002 2.40323 -89.89171 834.98516
2050.0000 -94.20222 -90.37196 3.83026 2.35415 -90.46570 829.27880
2055.0000 -94.02206 -89.83991 4.18215 2.41929 -89.70378 893.75591
2060.0000 -93.12673 -88.87351 4.25322 2.42918 -89.58808 924.79438
2065.0000 -92.67534 -87.25315 5.42220 2.51097 -88.63151 920.72183
2070.0000 -92.85150 -89.25173 3.59976 2.51169 -88.62313 956.10645
2075.0000 -94.70081 -90.28213 4.41868 2.45257 -89.31453 893.03794
2080.0000 -95.67156 -91.49926 4.17230 2.35275 -90.48210 815.97975
2085.0000 -94.80277 -89.61363 5.18913 2.29114 -91.20263 812.67964
2090.0000 -94.69203 -90.26824 4.42378 2.33801 -90.65449 789.79747
2095.0000 -95.45921 -90.63970 4.81951 2.41527 -89.75079 869.35987
2100.0000 -94.70643 -89.79099 4.91544 2.34405 -90.58377 812.97100
2105.0000 -95.54033 -90.27771 5.26261 2.38352 -90.12213 884.27709
2110.0000 -94.52338 -90.76177 3.76161 2.41759 -89.72364 940.52564
2115.0000 -93.91647 -90.21121 3.70526 2.36336 -90.35794 793.98483
2120.0000 -94.69635 -90.74882 3.94753 2.33705 -90.66570 858.67707
2125.0000 -95.07044 -90.48166 4.58878 2.30379 -91.05469 806.33471
2130.0000 -94.03527 -89.79761 4.23765 2.42848 -89.59638 918.27902
2135.0000 -95.62700 -90.52021 5.10679 2.36813 -90.30221 822.73052
2140.0000 -94.70505 -90.22466 4.48039 2.41427 -89.76252 872.80456
2145.0000 -93.47806 -89.28546 4.19259 2.42324 -89.65762 900.75829
2150.0000 -92.45512 -87.60408 4.85104 2.57200 -87.91773 992.97351
2155.0000 -94.54707 -88.66713 5.87994 2.56641 -87.98313 990.24248
2160.0000 -93.88820 -88.53599 5.35220 2.51097 -88.63157 955.13711
2165.0000 -93.90523 -89.33467 4.57056 2.46909 -89.12130 875.38044
2170.0000 -93.14243 -88.74795 4.39448 2.51438 -88.59168 936.35161
2175.0000 -93.51695 -88.58642 4.93053 2.48378 -88.94948 913.46239
2180.0000 -93.85764 -89.43022 4.42743 2.42726 -89.61061 910.64146
2185.0000 -92.62433 -88.61319 4.01114 2.48486 -88.93695 973.15313
2190.0000 -94.41202 -90.17146 4.24056 2.43263 -89.54776 898.99784
2195.0000 -94.91241 -89.92408 4.98833 2.41738 -89.72610 870.66035
2200.0000 -95.01828 -90.69554 4.32274 2.39059 -90.03954 843.96880
2205.0000 -95.29357 -91.08162 4.21195 2.26584 -91.49854 728.81751
2210.0000 -94.95453 -90.15211 4.80242 2.33698 -90.66646 827.94165
2215.0000 -93.62649 -89.16984 4.45665 2.41499 -89.75408 904.51438
2220.0000 -94.32786 -89.87320 4.45466 2.43330 -89.53990 907.32990
2225.0000 -93.52089 -89.13163 4.38925 2.48495 -88.93590 938.95681
2230.0000 -93.64821 -89.44852 4.19968 2.48252 -88.96427 909.91033
2235.0000 -93.59783 -89.68153 3.91630 2.44491 -89.40418 913.09911
2240.0000 -94.52362 -90.13849 4.38513 2.42981 -89.58078 917.56287
2245.0000 -95.49776 -90.26325 5.23451 2.28715 -91.24937 800.80615
2250.0000 -94.99648 -90.40155 4.59492 2.35403 -90.46707 841.66870
FREEZING PROCESS: loop number 10 T-loop= 838.00000000000000
main_MD> interactions number 10 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79787 0.35168 2.94829
force_rgl> df(natom) -0.66993 -0.76493 -3.05843
2255.0000 -93.82303 -89.63464 4.18840 2.40429 -89.87926 836.83347
2260.0000 -93.90188 -90.06894 3.83294 2.37035 -90.27626 850.27413
2265.0000 -94.67997 -90.67505 4.00492 2.33948 -90.63728 803.23586
2270.0000 -95.08797 -91.25280 3.83516 2.32334 -90.82601 807.79872
2275.0000 -94.63467 -89.59160 5.04306 2.39446 -89.99424 802.37083
2280.0000 -93.66105 -88.74699 4.91406 2.47923 -89.00277 901.21190
2285.0000 -94.36054 -89.49480 4.86574 2.48422 -88.94433 936.32350
2290.0000 -94.46499 -90.08754 4.37744 2.39568 -89.97998 864.40344
2295.0000 -94.10117 -90.85907 3.24210 2.37429 -90.23014 830.08201
2300.0000 -94.00116 -90.04857 3.95259 2.33935 -90.63877 799.45445
2305.0000 -94.13598 -88.79861 5.33736 2.45101 -89.33283 915.60025
2310.0000 -94.97605 -90.45852 4.51753 2.41126 -89.79768 846.69846
2315.0000 -95.01189 -91.19412 3.81777 2.35779 -90.42314 854.84537
2320.0000 -96.09546 -91.59241 4.50305 2.26794 -91.47403 775.82413
2325.0000 -94.31006 -89.59316 4.71691 2.34241 -90.60306 835.92335
2330.0000 -94.52983 -89.30760 5.22223 2.40841 -89.83109 919.51093
2335.0000 -94.84132 -90.35892 4.48240 2.40424 -89.87983 857.62022
2340.0000 -94.73165 -89.84266 4.88899 2.40070 -89.92119 882.99664
2345.0000 -95.35092 -91.62584 3.72507 2.39899 -89.94125 874.49385
2350.0000 -95.40813 -91.64508 3.76305 2.26737 -91.48064 802.91704
2355.0000 -94.97885 -90.65475 4.32410 2.28707 -91.25022 788.45313
2360.0000 -94.61038 -89.82590 4.78448 2.39486 -89.98956 854.09066
2365.0000 -94.33607 -90.63808 3.69800 2.37542 -90.21694 811.22575
2370.0000 -95.10598 -90.83827 4.26770 2.36179 -90.37635 806.23371
2375.0000 -94.33556 -89.81599 4.51957 2.39322 -90.00874 900.31486
2380.0000 -94.79439 -91.37154 3.42285 2.36216 -90.37203 853.54770
2385.0000 -95.82920 -91.27473 4.55447 2.31595 -90.91247 815.01479
2390.0000 -94.75356 -90.90966 3.84390 2.28183 -91.31152 761.87161
2395.0000 -95.37981 -91.43304 3.94676 2.22910 -91.92831 749.71385
2400.0000 -96.56880 -91.73150 4.83730 2.26903 -91.46124 766.70371
2405.0000 -95.58351 -91.91968 3.66383 2.25255 -91.65401 768.25424
2410.0000 -94.22791 -90.28900 3.93891 2.31934 -90.87283 792.38568
2415.0000 -95.14754 -90.71290 4.43464 2.37327 -90.24211 888.98536
2420.0000 -95.12817 -90.67639 4.45178 2.33380 -90.70368 841.74861
2425.0000 -95.79407 -92.11036 3.68371 2.28378 -91.28872 796.83449
2430.0000 -94.75385 -91.00558 3.74827 2.25949 -91.57289 763.55396
2435.0000 -96.29130 -91.64073 4.65058 2.30852 -90.99934 844.75391
2440.0000 -95.67455 -91.57947 4.09508 2.23372 -91.87421 742.11698
2445.0000 -94.26188 -89.77864 4.48324 2.31997 -90.86544 796.67757
2450.0000 -95.30330 -91.38953 3.91376 2.35195 -90.49139 811.30285
2455.0000 -96.20632 -92.12840 4.07791 2.26929 -91.45820 774.85768
2460.0000 -95.59627 -91.16322 4.43305 2.31304 -90.94655 810.58392
2465.0000 -96.16105 -91.56560 4.59546 2.26581 -91.49887 777.10024
2470.0000 -95.09714 -91.11929 3.97786 2.30425 -91.04931 809.69036
2475.0000 -95.00385 -90.45509 4.54876 2.33352 -90.70695 803.10835
2480.0000 -95.07429 -90.39268 4.68161 2.34476 -90.57547 831.65698
2485.0000 -95.52362 -90.82353 4.70009 2.36815 -90.30199 806.45199
2490.0000 -95.26435 -90.91238 4.35197 2.38026 -90.16026 832.14268
2495.0000 -94.42749 -90.65309 3.77439 2.31658 -90.90515 817.21222
2500.0000 -95.35741 -89.79201 5.56539 2.33526 -90.68660 801.53475
FREEZING PROCESS: loop number 11 T-loop= 813.00000000000000
main_MD> interactions number 11 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86038 -4.20663 0.84243
force_rgl> df(natom) 0.02728 -0.80847 1.06679
2505.0000 -96.38546 -91.08371 5.30176 2.34012 -90.62977 855.05851
2510.0000 -95.53529 -91.82904 3.70625 2.25984 -91.56878 788.83485
2515.0000 -95.10807 -91.11704 3.99103 2.21835 -92.05402 757.88514
2520.0000 -94.99028 -90.96514 4.02514 2.27476 -91.39420 799.93444
2525.0000 -95.59276 -90.92696 4.66580 2.25796 -91.59079 783.41221
2530.0000 -93.26160 -89.24791 4.01369 2.37535 -90.21780 860.23639
2535.0000 -95.35365 -90.95979 4.39387 2.35890 -90.41017 854.69884
2540.0000 -94.18330 -89.68935 4.49395 2.34372 -90.58774 852.12241
2545.0000 -94.50525 -91.09563 3.40961 2.39877 -89.94384 873.05021
2550.0000 -94.84171 -89.63989 5.20182 2.38245 -90.13471 898.40849
2555.0000 -93.16089 -88.79554 4.36534 2.47258 -89.08049 910.84084
2560.0000 -94.34737 -90.02577 4.32160 2.47780 -89.01952 922.48246
2565.0000 -95.29531 -90.95135 4.34396 2.31584 -90.91376 795.86550
2570.0000 -96.09191 -92.18707 3.90484 2.18756 -92.41412 709.08156
2575.0000 -94.55371 -90.87361 3.68011 2.26338 -91.52731 741.63768
2580.0000 -95.07850 -89.95288 5.12562 2.36474 -90.34182 839.14545
2585.0000 -95.74600 -91.85691 3.88910 2.30406 -91.05160 803.57635
2590.0000 -95.88009 -91.89757 3.98252 2.24151 -91.78316 755.39852
2595.0000 -95.65314 -91.64993 4.00320 2.23861 -91.81705 759.43428
2600.0000 -94.61883 -90.91488 3.70395 2.30367 -91.05609 785.73367
2605.0000 -94.61538 -90.71598 3.89940 2.38856 -90.06320 884.92560
2610.0000 -94.80470 -90.00569 4.79901 2.36124 -90.38272 826.77044
2615.0000 -93.58602 -89.49065 4.09537 2.42523 -89.63429 911.24394
2620.0000 -93.58936 -89.44915 4.14021 2.44776 -89.37084 900.53151
2625.0000 -94.95166 -89.49344 5.45822 2.41828 -89.71567 855.27336
2630.0000 -94.64982 -90.64567 4.00415 2.41240 -89.78436 900.81692
2635.0000 -94.43496 -91.26021 3.17475 2.34335 -90.59197 816.01873
2640.0000 -94.70996 -90.92196 3.78800 2.24615 -91.72884 745.06874
2645.0000 -95.61126 -91.00770 4.60355 2.28746 -91.24570 792.54391
2650.0000 -95.10041 -90.34179 4.75862 2.33587 -90.67952 850.27386
2655.0000 -94.68749 -91.04649 3.64100 2.39552 -89.98177 927.17620
2660.0000 -94.85242 -90.14217 4.71026 2.37108 -90.26767 868.55255
2665.0000 -94.82198 -90.35402 4.46796 2.37510 -90.22070 863.40742
2670.0000 -94.84517 -90.00799 4.83719 2.36881 -90.29418 836.94324
2675.0000 -94.86812 -90.69845 4.16967 2.39169 -90.02657 866.90693
2680.0000 -93.70248 -89.21355 4.48893 2.44523 -89.40037 925.90082
2685.0000 -95.01912 -90.99615 4.02298 2.36663 -90.31968 855.42150
2690.0000 -95.22873 -91.13457 4.09416 2.30315 -91.06217 811.17249
2695.0000 -96.30713 -92.17083 4.13630 2.22606 -91.96384 722.87734
2700.0000 -94.72614 -91.07729 3.64884 2.24476 -91.74510 757.92733
2705.0000 -95.26798 -91.23715 4.03082 2.31651 -90.90588 801.50769
2710.0000 -94.61895 -90.81202 3.80693 2.28874 -91.23072 789.12432
2715.0000 -95.18902 -91.03669 4.15233 2.34700 -90.54936 853.45443
2720.0000 -94.74822 -90.17433 4.57389 2.31429 -90.93195 808.60793
2725.0000 -94.96985 -90.85899 4.11086 2.30311 -91.06264 772.95758
2730.0000 -95.34923 -91.38526 3.96397 2.27089 -91.43957 782.39619
2735.0000 -94.79598 -91.02552 3.77047 2.28515 -91.27277 776.42430
2740.0000 -95.58349 -91.46167 4.12182 2.25652 -91.60762 754.63737
2745.0000 -95.24780 -91.17662 4.07117 2.26273 -91.53499 731.87119
2750.0000 -94.96604 -89.78107 5.18497 2.33397 -90.70174 817.66924
FREEZING PROCESS: loop number 12 T-loop= 788.00000000000000
main_MD> interactions number 12 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.07365 0.14962 0.90313
force_rgl> df(natom) 2.14203 -3.16607 1.70361
2755.0000 -94.83779 -90.73149 4.10630 2.30575 -91.03179 813.41820
2760.0000 -95.29555 -90.89536 4.40019 2.34329 -90.59275 851.09459
2765.0000 -96.32619 -92.17279 4.15339 2.22996 -91.91821 728.81398
2770.0000 -96.52353 -92.76749 3.75604 2.16268 -92.70516 703.69788
2775.0000 -94.89812 -91.34973 3.54839 2.28384 -91.28808 783.47253
2780.0000 -96.28896 -92.34723 3.94173 2.23113 -91.90449 755.27094
2785.0000 -96.07498 -91.50355 4.57143 2.22502 -91.97595 754.25667
2790.0000 -95.85385 -91.53687 4.31699 2.24547 -91.73684 755.23242
2795.0000 -95.53896 -91.03865 4.50031 2.28799 -91.23948 817.50977
2800.0000 -95.91241 -90.43029 5.48213 2.32874 -90.76285 855.53536
2805.0000 -92.61041 -87.96958 4.64083 2.43753 -89.49052 949.91226
2810.0000 -93.66046 -88.48988 5.17058 2.55676 -88.09590 1023.14191
2815.0000 -94.42807 -90.00614 4.42193 2.45167 -89.32509 925.81372
2820.0000 -94.71570 -91.17157 3.54413 2.36847 -90.29818 824.97894
2825.0000 -95.71496 -90.66873 5.04623 2.33149 -90.73071 840.27410
2830.0000 -95.67380 -91.88251 3.79129 2.27039 -91.44539 769.50455
2835.0000 -95.86955 -91.86005 4.00950 2.25352 -91.64272 778.29270
2840.0000 -96.77672 -92.98378 3.79293 2.17020 -92.61713 717.04636
2845.0000 -96.17573 -91.21476 4.96097 2.24548 -91.73675 747.69092
2850.0000 -94.58328 -90.56036 4.02292 2.33532 -90.68596 817.11843
2855.0000 -95.47507 -90.44052 5.03455 2.37656 -90.20353 850.55451
2860.0000 -93.86802 -89.91180 3.95622 2.39110 -90.03351 864.41999
2865.0000 -94.61087 -90.57924 4.03163 2.40984 -89.81437 897.07646
2870.0000 -94.99168 -90.28180 4.70988 2.33196 -90.72519 832.73211
2875.0000 -94.12334 -89.56829 4.55505 2.40407 -89.88185 869.67469
2880.0000 -94.58808 -90.20688 4.38120 2.37815 -90.18493 857.18771
2885.0000 -95.38263 -91.62220 3.76043 2.32016 -90.86324 775.40130
2890.0000 -96.02814 -92.41841 3.60972 2.24510 -91.74120 760.18559
2895.0000 -95.68314 -92.45950 3.22365 2.21677 -92.07249 726.65610
2900.0000 -96.66515 -91.69625 4.96891 2.20325 -92.23060 739.78878
2905.0000 -95.59397 -91.44406 4.14991 2.28447 -91.28068 810.77366
2910.0000 -95.72934 -90.93940 4.78994 2.27232 -91.42276 766.41848
2915.0000 -95.73928 -91.97843 3.76085 2.25713 -91.60041 782.45403
2920.0000 -95.91120 -92.09470 3.81650 2.26146 -91.54976 773.26863
2925.0000 -97.15520 -92.57146 4.58374 2.23019 -91.91553 771.87225
2930.0000 -95.21773 -90.88658 4.33115 2.23380 -91.87335 751.54824
2935.0000 -94.90816 -91.36567 3.54249 2.34585 -90.56275 812.79843
2940.0000 -95.78931 -92.06702 3.72229 2.28703 -91.25068 742.81566
2945.0000 -95.64211 -91.05161 4.59050 2.24867 -91.69938 771.39370
2950.0000 -94.75334 -90.91021 3.84313 2.33343 -90.70806 799.60658
2955.0000 -94.27535 -90.72738 3.54797 2.33633 -90.67416 777.65366
2960.0000 -94.81497 -90.19120 4.62377 2.39040 -90.04170 895.19631
2965.0000 -94.44793 -90.68575 3.76218 2.27206 -91.42584 800.80862
2970.0000 -96.39680 -92.10662 4.29018 2.27893 -91.34548 785.11393
2975.0000 -95.31057 -91.45394 3.85663 2.26216 -91.54161 750.49596
2980.0000 -95.57424 -92.37232 3.20192 2.22156 -92.01646 762.14319
2985.0000 -94.99208 -91.59405 3.39804 2.22606 -91.96383 749.52087
2990.0000 -94.70398 -91.32547 3.37851 2.24677 -91.72159 769.21793
2995.0000 -95.87937 -91.46319 4.41618 2.28139 -91.31675 831.41938
3000.0000 -95.30061 -90.77185 4.52876 2.28467 -91.27835 817.69782
FREEZING PROCESS: loop number 13 T-loop= 763.00000000000000
main_MD> interactions number 13 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12481 1.78665 1.06393
force_rgl> df(natom) 0.02265 1.87450 0.74787
3005.0000 -95.04975 -91.35450 3.69525 2.26438 -91.51563 745.59968
3010.0000 -94.84392 -90.50921 4.33471 2.32833 -90.76769 788.16705
3015.0000 -95.65901 -92.62978 3.02923 2.27141 -91.43339 766.91575
3020.0000 -95.65737 -91.27947 4.37790 2.28661 -91.25569 759.99538
3025.0000 -95.54940 -92.70564 2.84376 2.21948 -92.04083 714.81490
3030.0000 -95.41406 -91.66760 3.74646 2.22615 -91.96281 691.10782
3035.0000 -95.72914 -92.80098 2.92816 2.21155 -92.13360 715.32589
3040.0000 -96.97837 -92.84191 4.13646 2.16020 -92.73414 662.41184
3045.0000 -95.70238 -91.71838 3.98400 2.21407 -92.10405 751.33523
3050.0000 -95.61798 -92.31498 3.30299 2.18713 -92.41913 681.48982
3055.0000 -95.44383 -91.47074 3.97309 2.21438 -92.10045 711.19935
3060.0000 -94.06152 -90.16609 3.89544 2.36120 -90.38329 817.85376
3065.0000 -95.67861 -92.40386 3.27474 2.26153 -91.54900 773.00339
3070.0000 -95.75789 -91.97176 3.78613 2.20379 -92.22434 695.32439
3075.0000 -96.05096 -92.49646 3.55450 2.19478 -92.32967 732.73930
3080.0000 -95.43887 -90.83152 4.60735 2.26353 -91.52556 772.45094
3085.0000 -95.61204 -92.29418 3.31786 2.27685 -91.36975 789.02170
3090.0000 -95.70925 -91.96900 3.74026 2.20240 -92.24062 702.42892
3095.0000 -96.76826 -92.70661 4.06165 2.23692 -91.83684 745.91067
3100.0000 -95.76069 -92.10504 3.65565 2.20439 -92.21725 720.57319
3105.0000 -95.18005 -91.12699 4.05306 2.27392 -91.40405 773.20516
3110.0000 -94.98796 -90.78468 4.20328 2.28185 -91.31134 774.00320
3115.0000 -95.85457 -92.59320 3.26137 2.27481 -91.39361 783.63331
3120.0000 -95.85737 -91.63659 4.22077 2.21362 -92.10934 731.49093
3125.0000 -94.99345 -90.78888 4.20457 2.28412 -91.28476 802.43441
3130.0000 -94.68652 -91.12075 3.56577 2.29628 -91.14259 785.59527
3135.0000 -95.15619 -91.69057 3.46562 2.30097 -91.08770 803.95188
3140.0000 -95.31300 -91.40347 3.90953 2.27596 -91.38016 771.46373
3145.0000 -96.48022 -92.36968 4.11054 2.24013 -91.79925 739.04203
3150.0000 -95.26120 -92.06649 3.19471 2.19106 -92.37317 704.79396
3155.0000 -96.30030 -92.54832 3.75198 2.22522 -91.97364 709.59298
3160.0000 -95.81571 -92.35816 3.45755 2.16949 -92.62545 699.63188
3165.0000 -95.48931 -91.28400 4.20531 2.26223 -91.54075 765.05628
3170.0000 -94.91193 -90.84689 4.06504 2.32663 -90.78760 831.41399
3175.0000 -94.73366 -91.43981 3.29385 2.33021 -90.74570 798.11809
3180.0000 -95.25333 -92.39653 2.85680 2.24477 -91.74496 754.66853
3185.0000 -95.22391 -91.18772 4.03619 2.24978 -91.68646 749.38175
3190.0000 -95.66808 -92.02725 3.64083 2.24891 -91.69660 740.01060
3195.0000 -95.98616 -91.99757 3.98859 2.26976 -91.45274 806.46699
3200.0000 -95.57180 -91.93602 3.63578 2.23928 -91.80926 751.15672
3205.0000 -96.20788 -91.80735 4.40054 2.21744 -92.06461 741.15523
3210.0000 -95.86049 -92.13908 3.72141 2.27630 -91.37621 756.49427
3215.0000 -94.84616 -91.01739 3.82878 2.28494 -91.27522 773.97691
3220.0000 -95.48696 -91.80530 3.68166 2.27404 -91.40266 761.16799
3225.0000 -95.18297 -91.83455 3.34842 2.24528 -91.73899 741.46656
3230.0000 -95.81987 -92.36256 3.45731 2.21747 -92.06436 723.19045
3235.0000 -95.73547 -91.88678 3.84868 2.21874 -92.04945 720.73188
3240.0000 -96.50463 -92.30344 4.20119 2.21687 -92.07133 724.95176
3245.0000 -96.65401 -93.39509 3.25892 2.18128 -92.48757 745.60791
3250.0000 -96.37351 -92.12969 4.24382 2.15629 -92.77983 674.67286
FREEZING PROCESS: loop number 14 T-loop= 738.00000000000000
main_MD> interactions number 14 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62001 0.11864 -2.57631
force_rgl> df(natom) -0.44139 -0.23446 0.84635
3255.0000 -96.63871 -92.93422 3.70448 2.18329 -92.46407 688.37988
3260.0000 -96.43848 -92.98076 3.45772 2.18254 -92.47287 702.87614
3265.0000 -96.41914 -92.32007 4.09907 2.15467 -92.79877 699.67627
3270.0000 -95.99109 -93.00002 2.99107 2.15378 -92.80923 671.15333
3275.0000 -96.22290 -92.23309 3.98981 2.17898 -92.51447 677.31457
3280.0000 -96.02805 -92.12101 3.90704 2.23356 -91.87614 748.31547
3285.0000 -96.75570 -92.77552 3.98018 2.22466 -91.98025 709.44517
3290.0000 -96.31936 -92.15021 4.16915 2.19004 -92.38511 685.47170
3295.0000 -94.68482 -91.05411 3.63071 2.22115 -92.02121 726.71733
3300.0000 -95.14707 -91.69741 3.44967 2.25351 -91.64274 763.45726
3305.0000 -96.13755 -92.59992 3.53763 2.21702 -92.06958 722.66011
3310.0000 -95.79785 -91.36043 4.43742 2.22138 -92.01863 732.42801
3315.0000 -95.60522 -91.49272 4.11250 2.28416 -91.28432 799.80353
3320.0000 -95.28057 -90.93624 4.34433 2.24609 -91.72961 721.49147
3325.0000 -94.94061 -90.68621 4.25440 2.30948 -90.98817 817.88643
3330.0000 -96.00638 -91.86675 4.13963 2.24885 -91.69731 736.53497
3335.0000 -95.39376 -91.95703 3.43673 2.19847 -92.28657 656.45049
3340.0000 -94.88494 -91.06946 3.81548 2.28364 -91.29040 753.25261
3345.0000 -95.86751 -92.29726 3.57025 2.22124 -92.02025 721.02184
3350.0000 -95.33013 -92.06678 3.26335 2.21332 -92.11283 729.09001
3355.0000 -95.31770 -92.05217 3.26552 2.14209 -92.94602 666.92877
3360.0000 -95.96733 -92.28408 3.68324 2.19971 -92.27205 735.25663
3365.0000 -96.24944 -92.28942 3.96002 2.18877 -92.40003 738.93045
3370.0000 -96.68874 -93.49202 3.19672 2.10709 -93.35534 640.64319
3375.0000 -96.82125 -93.02080 3.80045 2.08568 -93.60573 611.35714
3380.0000 -96.19895 -93.49611 2.70284 2.11770 -93.23123 661.80856
3385.0000 -96.63169 -92.01715 4.61455 2.14382 -92.92570 659.79366
3390.0000 -95.52885 -90.97547 4.55338 2.22151 -92.01710 721.86109
3395.0000 -95.14789 -91.85723 3.29065 2.25961 -91.57140 756.89519
3400.0000 -95.89626 -92.44512 3.45114 2.20479 -92.21266 698.64385
3405.0000 -96.23807 -92.79727 3.44080 2.16826 -92.63993 662.31906
3410.0000 -95.52808 -92.22188 3.30620 2.20379 -92.22434 692.11153
3415.0000 -95.30282 -92.42248 2.88034 2.20323 -92.23089 753.44119
3420.0000 -95.42839 -91.97199 3.45639 2.17508 -92.56016 679.78321
3425.0000 -95.97961 -91.70990 4.26971 2.24682 -91.72108 780.23831
3430.0000 -95.38367 -92.14447 3.23920 2.24219 -91.77516 735.60756
3435.0000 -97.39347 -92.94740 4.44607 2.20945 -92.15808 693.87084
3440.0000 -96.54999 -92.52862 4.02136 2.13848 -92.98817 666.19727
3445.0000 -95.37298 -91.55362 3.81936 2.27409 -91.40213 764.69381
3450.0000 -96.35864 -91.79977 4.55887 2.27826 -91.35335 800.17227
3455.0000 -96.69340 -92.58158 4.11183 2.20191 -92.24631 739.33175
3460.0000 -95.59114 -91.45029 4.14085 2.20724 -92.18401 728.08625
3465.0000 -95.70481 -91.24394 4.46086 2.25202 -91.66025 762.54800
3470.0000 -95.20057 -91.37725 3.82332 2.28067 -91.32514 776.89983
3475.0000 -95.67538 -91.79506 3.88032 2.27613 -91.37823 780.69427
3480.0000 -94.80166 -90.61746 4.18419 2.34244 -90.60264 856.09194
3485.0000 -95.20995 -90.78610 4.42386 2.36137 -90.38128 867.54024
3490.0000 -94.96841 -90.47296 4.49544 2.33730 -90.66273 830.74529
3495.0000 -93.86744 -89.91918 3.94826 2.40819 -89.83364 816.86185
3500.0000 -94.19422 -90.37488 3.81934 2.38867 -90.06197 828.84116
FREEZING PROCESS: loop number 15 T-loop= 713.00000000000000
main_MD> interactions number 15 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75316 1.30599 2.11290
force_rgl> df(natom) 3.71384 5.62311 -0.99854
3505.0000 -94.59024 -89.43962 5.15063 2.38001 -90.16320 828.69938
3510.0000 -95.17409 -91.25920 3.91489 2.33271 -90.71641 805.99341
3515.0000 -95.25531 -91.62427 3.63104 2.24869 -91.69914 738.66431
3520.0000 -95.09391 -90.57962 4.51429 2.29040 -91.21132 772.79670
3525.0000 -95.03712 -91.50211 3.53501 2.32252 -90.83568 813.67370
3530.0000 -96.76558 -93.22015 3.54543 2.21085 -92.14174 667.64205
3535.0000 -94.95874 -91.03804 3.92070 2.22341 -91.99489 740.46181
3540.0000 -96.02069 -92.23788 3.78280 2.23078 -91.90861 753.41314
3545.0000 -95.70141 -91.15566 4.54575 2.22649 -91.95879 741.65925
3550.0000 -95.97552 -92.46193 3.51359 2.18938 -92.39283 655.13698
3555.0000 -96.22232 -93.16212 3.06019 2.12711 -93.12120 652.99071
3560.0000 -95.98947 -91.95312 4.03635 2.18857 -92.40231 728.31679
3565.0000 -96.01360 -91.64165 4.37195 2.19007 -92.38474 683.41883
3570.0000 -96.24352 -92.04482 4.19869 2.20962 -92.15617 722.20440
3575.0000 -96.43006 -92.55493 3.87513 2.18091 -92.49192 714.63831
3580.0000 -96.13130 -93.32419 2.80711 2.11222 -93.29538 662.83233
3585.0000 -95.84758 -92.47131 3.37626 2.11431 -93.27093 657.38541
3590.0000 -96.19938 -92.95650 3.24288 2.16101 -92.72472 689.64060
3595.0000 -96.50944 -92.73244 3.77700 2.14483 -92.91397 692.83159
3600.0000 -96.56013 -92.86064 3.69949 2.14588 -92.90165 661.11809
3605.0000 -96.38268 -92.52509 3.85759 2.14507 -92.91113 657.71206
3610.0000 -97.27538 -93.51743 3.75795 2.11754 -93.23311 638.55847
3615.0000 -96.04325 -92.42370 3.61955 2.14404 -92.92317 645.71504
3620.0000 -96.03716 -90.89286 5.14430 2.22670 -91.95636 713.22490
3625.0000 -96.22031 -92.65525 3.56506 2.22038 -92.03022 708.63031
3630.0000 -96.79425 -93.94591 2.84834 2.11865 -93.22011 644.63400
3635.0000 -96.45434 -92.87351 3.58083 2.11450 -93.26863 637.22010
3640.0000 -97.18686 -92.81387 4.37300 2.15663 -92.77594 695.13831
3645.0000 -96.74166 -93.87179 2.86988 2.09133 -93.53960 619.62850
3650.0000 -97.05120 -93.75590 3.29529 2.05764 -93.93375 599.38971
3655.0000 -97.36950 -93.91361 3.45589 2.07109 -93.77638 652.78051
3660.0000 -95.70119 -92.53185 3.16934 2.10528 -93.37652 651.81409
3665.0000 -96.37308 -92.35016 4.02292 2.19456 -92.33225 718.15648
3670.0000 -94.28842 -90.88175 3.40667 2.26126 -91.55217 770.05935
3675.0000 -95.40077 -91.21561 4.18517 2.30189 -91.07694 797.44225
3680.0000 -95.15941 -90.76376 4.39565 2.27342 -91.40996 754.25238
3685.0000 -95.61279 -91.49434 4.11844 2.25373 -91.64018 776.27256
3690.0000 -96.21806 -92.37255 3.84550 2.18035 -92.49852 707.21913
3695.0000 -95.98237 -92.00241 3.97996 2.18625 -92.42945 743.15268
3700.0000 -96.86192 -92.29952 4.56241 2.19997 -92.26897 752.33608
3705.0000 -95.98456 -92.36933 3.61524 2.18915 -92.39551 689.76354
3710.0000 -96.63609 -92.43077 4.20532 2.16825 -92.63999 666.52514
3715.0000 -95.30126 -91.50448 3.79678 2.19319 -92.34834 718.15909
3720.0000 -95.75752 -91.73703 4.02048 2.28658 -91.25602 813.36616
3725.0000 -96.72827 -93.39572 3.33255 2.21781 -92.06037 726.52806
3730.0000 -96.10619 -92.79397 3.31221 2.14044 -92.96520 679.70688
3735.0000 -96.59834 -93.49930 3.09904 2.14199 -92.94714 678.87203
3740.0000 -96.38175 -93.30499 3.07676 2.11538 -93.25839 655.65878
3745.0000 -96.74003 -93.24919 3.49084 2.07415 -93.74058 610.04469
3750.0000 -96.08168 -92.71115 3.37054 2.12827 -93.10761 669.80249
FREEZING PROCESS: loop number 16 T-loop= 688.00000000000000
main_MD> interactions number 16 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34423 0.05650 -1.24041
force_rgl> df(natom) 2.60831 1.89543 2.13525
3755.0000 -96.81181 -93.61990 3.19191 2.09679 -93.47574 622.80346
3760.0000 -97.02003 -93.62552 3.39451 2.06630 -93.83237 609.04865
3765.0000 -96.52211 -93.30598 3.21613 2.04164 -94.12087 615.26847
3770.0000 -95.65713 -92.07436 3.58278 2.16468 -92.68173 697.86707
3775.0000 -96.25095 -92.34779 3.90316 2.21686 -92.07148 713.94468
3780.0000 -95.65064 -91.45557 4.19508 2.19581 -92.31770 716.27523
3785.0000 -95.24996 -92.38712 2.86283 2.21527 -92.09000 714.88744
3790.0000 -95.76146 -92.28490 3.47657 2.22689 -91.95412 756.17565
3795.0000 -95.38747 -91.72203 3.66544 2.21341 -92.11182 726.28968
3800.0000 -95.69328 -91.63386 4.05942 2.24252 -91.77129 791.42711
3805.0000 -95.53054 -93.41140 2.11914 2.19808 -92.29115 713.09535
3810.0000 -95.49942 -92.62835 2.87107 2.20351 -92.22762 705.89535
3815.0000 -95.88290 -92.49725 3.38565 2.19840 -92.28734 712.37411
3820.0000 -96.41706 -93.38081 3.03625 2.16463 -92.68230 687.92373
3825.0000 -95.86821 -92.56532 3.30289 2.12214 -93.17935 647.31173
3830.0000 -96.55970 -92.66542 3.89428 2.20134 -92.25296 696.71639
3835.0000 -96.39101 -92.53212 3.85888 2.15468 -92.79874 690.18836
3840.0000 -96.45410 -93.19234 3.26176 2.14083 -92.96069 669.03094
3845.0000 -96.08832 -93.00504 3.08327 2.12915 -93.09733 655.63080
3850.0000 -96.93646 -93.81418 3.12228 2.09190 -93.53294 635.51084
3855.0000 -96.49378 -93.47457 3.01921 2.12410 -93.15633 664.06589
3860.0000 -96.73685 -93.28258 3.45427 2.12759 -93.11550 671.03791
3865.0000 -95.87971 -92.52523 3.35447 2.16290 -92.70251 673.89386
3870.0000 -96.67453 -93.06130 3.61323 2.14682 -92.89062 678.62315
3875.0000 -97.25168 -94.11253 3.13915 2.06015 -93.90438 564.13024
3880.0000 -96.41978 -93.04366 3.37612 2.10182 -93.41696 632.92718
3885.0000 -95.43787 -92.58501 2.85285 2.16499 -92.67807 692.56541
3890.0000 -96.30872 -93.02725 3.28147 2.13731 -93.00183 675.85456
3895.0000 -96.90491 -93.09429 3.81062 2.13349 -93.04652 691.81667
3900.0000 -96.62498 -93.10872 3.51626 2.11247 -93.29242 648.65932
3905.0000 -96.39363 -92.54115 3.85248 2.20140 -92.25222 726.38968
3910.0000 -96.12491 -93.21461 2.91030 2.13628 -93.01395 662.73026
3915.0000 -96.47707 -93.52001 2.95706 2.08681 -93.59253 617.83321
3920.0000 -95.22738 -91.33322 3.89416 2.21214 -92.12661 714.17397
3925.0000 -96.28142 -93.34101 2.94041 2.18495 -92.44472 692.86604
3930.0000 -96.35961 -93.90611 2.45350 2.09062 -93.54797 633.30115
3935.0000 -96.18099 -92.00105 4.17994 2.16291 -92.70247 697.88560
3940.0000 -96.15125 -91.89173 4.25952 2.24500 -91.74231 772.10964
3945.0000 -96.93315 -93.79546 3.13769 2.13946 -92.97674 636.66962
3950.0000 -96.38395 -92.97390 3.41005 2.08814 -93.57697 607.89501
3955.0000 -97.37121 -93.61282 3.75839 2.10022 -93.43563 663.42924
3960.0000 -96.94224 -93.91914 3.02310 2.07661 -93.71187 656.02554
3965.0000 -97.64576 -94.47825 3.16751 2.04340 -94.10022 628.83535
3970.0000 -96.59976 -93.66157 2.93819 2.04271 -94.10829 635.12611
3975.0000 -96.65897 -93.06526 3.59371 2.11961 -93.20891 672.01418
3980.0000 -96.70559 -93.48916 3.21643 2.09147 -93.53807 647.05387
3985.0000 -95.76767 -91.68287 4.08480 2.11133 -93.30572 629.07079
3990.0000 -95.63069 -92.54392 3.08676 2.19844 -92.28686 696.61261
3995.0000 -95.91859 -92.44422 3.47437 2.19989 -92.26988 700.82140
4000.0000 -97.14050 -93.87563 3.26486 2.12908 -93.09818 663.84829
FREEZING PROCESS: loop number 17 T-loop= 663.00000000000000
main_MD> interactions number 17 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13521 1.47609 -2.14646
force_rgl> df(natom) -0.74398 1.00845 2.03967
4005.0000 -96.18446 -93.12906 3.05540 2.10335 -93.39910 645.18020
4010.0000 -96.05991 -93.08108 2.97883 2.14395 -92.92416 659.61572
4015.0000 -96.08811 -93.33814 2.74997 2.11031 -93.31764 614.65140
4020.0000 -96.54182 -92.89577 3.64606 2.19793 -92.29282 712.65613
4025.0000 -96.92853 -93.63057 3.29796 2.10022 -93.43563 632.00125
4030.0000 -96.45176 -93.43811 3.01365 2.09746 -93.46797 620.07194
4035.0000 -97.16573 -94.20705 2.95868 2.06941 -93.79606 613.13781
4040.0000 -96.70393 -93.41948 3.28446 2.07605 -93.71839 614.30687
4045.0000 -96.97755 -93.94600 3.03155 2.05290 -93.98914 609.30430
4050.0000 -96.43461 -93.67749 2.75712 2.01922 -94.38302 570.42417
4055.0000 -96.71129 -93.29414 3.41715 2.08334 -93.63311 606.23617
4060.0000 -96.31795 -93.49607 2.82187 2.10990 -93.32252 638.74563
4065.0000 -96.47587 -93.23630 3.23958 2.10920 -93.33070 635.74254
4070.0000 -96.59212 -93.56888 3.02324 2.15519 -92.79280 679.83213
4075.0000 -97.05385 -92.99165 4.06219 2.07497 -93.73105 618.07069
4080.0000 -96.50015 -92.76750 3.73265 2.12808 -93.10980 670.32135
4085.0000 -96.43434 -93.08457 3.34977 2.16611 -92.66498 656.73937
4090.0000 -95.24805 -92.44849 2.79955 2.10349 -93.39744 659.24995
4095.0000 -96.16837 -92.13364 4.03473 2.19521 -92.32467 720.29747
4100.0000 -95.72731 -92.47623 3.25109 2.19151 -92.36799 735.73129
4105.0000 -96.46177 -93.56044 2.90132 2.11340 -93.28149 655.73910
4110.0000 -96.30513 -93.17822 3.12691 2.09219 -93.52954 618.45631
4115.0000 -97.89822 -94.83189 3.06633 2.04822 -94.04384 596.85396
4120.0000 -97.34375 -93.36125 3.98251 2.03500 -94.19847 592.89634
4125.0000 -97.20096 -93.82461 3.37636 2.08872 -93.57020 607.41891
4130.0000 -97.22885 -94.26873 2.96011 2.02657 -94.29710 615.61587
4135.0000 -97.69487 -94.56142 3.13345 2.03705 -94.17455 591.29369
4140.0000 -98.02258 -94.53465 3.48793 1.98635 -94.76751 590.45554
4145.0000 -96.77380 -93.70762 3.06618 2.05895 -93.91832 619.06023
4150.0000 -95.33938 -92.31874 3.02064 2.10601 -93.36797 640.51950
4155.0000 -96.93751 -94.27262 2.66489 2.11856 -93.22121 639.48339
4160.0000 -96.49184 -93.26094 3.23090 2.04147 -94.12285 569.67557
4165.0000 -96.50234 -93.14114 3.36120 2.11009 -93.32028 658.24900
4170.0000 -96.22624 -92.84466 3.38158 2.14505 -92.91131 665.50734
4175.0000 -96.55354 -93.12840 3.42514 2.15919 -92.74598 703.41554
4180.0000 -96.63195 -93.41943 3.21253 2.14514 -92.91034 674.36443
4185.0000 -97.68931 -93.48493 4.20438 2.10854 -93.33835 656.91353
4190.0000 -95.83434 -91.44837 4.38597 2.16960 -92.62418 742.66833
4195.0000 -96.18826 -92.94716 3.24111 2.16541 -92.67317 736.86848
4200.0000 -96.12033 -93.31234 2.80799 2.13944 -92.97698 692.33286
4205.0000 -96.03714 -92.84952 3.18762 2.08916 -93.56505 625.96228
4210.0000 -97.24238 -93.53744 3.70494 2.10353 -93.39698 652.43913
4215.0000 -96.81984 -94.02297 2.79687 2.05456 -93.96974 588.19717
4220.0000 -97.65778 -94.39776 3.26002 2.01197 -94.46780 563.92213
4225.0000 -96.61515 -93.75545 2.85971 2.04379 -94.09567 600.21139
4230.0000 -96.18489 -92.94541 3.23947 2.10726 -93.35337 649.07329
4235.0000 -96.45856 -93.23699 3.22158 2.15482 -92.79711 719.72254
4240.0000 -96.44192 -93.06259 3.37933 2.09921 -93.44745 670.97221
4245.0000 -96.22327 -92.04169 4.18158 2.16229 -92.70975 685.37985
4250.0000 -97.06013 -94.04425 3.01588 2.11155 -93.30312 651.94984
FREEZING PROCESS: loop number 18 T-loop= 638.00000000000000
main_MD> interactions number 18 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.31132 -0.11422 -0.89792
force_rgl> df(natom) -1.23281 0.15440 3.27263
4255.0000 -97.31180 -94.24182 3.06998 2.04240 -94.11190 585.86166
4260.0000 -96.69006 -93.66021 3.02985 2.03700 -94.17506 595.81647
4265.0000 -96.67536 -93.63624 3.03912 2.08878 -93.56949 637.37727
4270.0000 -97.19708 -94.00162 3.19546 2.05448 -93.97071 615.24930
4275.0000 -96.14938 -93.27952 2.86987 2.10162 -93.41925 656.32259
4280.0000 -97.31378 -93.48781 3.82598 2.07480 -93.73295 623.16887
4285.0000 -96.39159 -93.17399 3.21759 2.07230 -93.76228 627.65843
4290.0000 -96.52053 -93.54681 2.97372 2.11837 -93.22342 646.86674
4295.0000 -95.97361 -92.08599 3.88762 2.15769 -92.76346 685.02425
4300.0000 -96.55700 -92.41901 4.13799 2.14975 -92.85643 673.21317
4305.0000 -96.94409 -93.22223 3.72186 2.12900 -93.09908 679.88742
4310.0000 -96.05485 -92.48663 3.56822 2.12672 -93.12569 676.34587
4315.0000 -97.46296 -93.69625 3.76671 2.10818 -93.34252 657.19402
4320.0000 -96.71470 -93.62577 3.08893 2.07811 -93.69432 634.51646
4325.0000 -96.34897 -92.42222 3.92675 2.10099 -93.42668 630.14737
4330.0000 -96.39395 -93.25619 3.13775 2.14437 -92.91925 661.17609
4335.0000 -95.93174 -92.85077 3.08097 2.10128 -93.42332 628.08450
4340.0000 -95.61922 -92.80706 2.81216 2.15449 -92.80092 660.64891
4345.0000 -97.29162 -94.24477 3.04685 2.09402 -93.50824 592.65308
4350.0000 -96.46973 -93.67457 2.79516 2.04947 -94.02926 588.62421
4355.0000 -97.46250 -93.99488 3.46762 2.07863 -93.68824 617.24920
4360.0000 -96.54574 -92.93498 3.61075 2.10415 -93.38974 654.46856
4365.0000 -96.18967 -92.46795 3.72172 2.17326 -92.58135 673.17177
4370.0000 -96.41777 -92.26607 4.15170 2.18813 -92.40746 720.01602
4375.0000 -96.38898 -92.87647 3.51252 2.17409 -92.57173 690.04917
4380.0000 -97.56258 -93.17981 4.38277 2.13608 -93.01626 674.66705
4385.0000 -96.75034 -92.85461 3.89573 2.19540 -92.32249 721.47511
4390.0000 -97.26465 -94.04799 3.21665 2.14085 -92.96044 664.51608
4395.0000 -96.98823 -93.90092 3.08731 2.03117 -94.24324 555.83570
4400.0000 -97.27100 -94.44561 2.82539 2.04945 -94.02945 569.00073
4405.0000 -96.93130 -93.66222 3.26908 2.01664 -94.41326 555.73303
4410.0000 -96.87280 -93.59397 3.27883 2.08175 -93.65169 632.10626
4415.0000 -97.35274 -93.95375 3.39899 2.05940 -93.91316 616.31709
4420.0000 -96.32078 -93.13909 3.18169 2.13433 -93.03671 683.69518
4425.0000 -96.55860 -92.80160 3.75700 2.13881 -92.98432 668.47099
4430.0000 -95.94890 -91.87976 4.06914 2.19422 -92.33627 711.33472
4435.0000 -96.90656 -93.43245 3.47411 2.19314 -92.34893 727.49243
4440.0000 -97.31060 -93.52337 3.78723 2.10582 -93.37013 643.62598
4445.0000 -96.75791 -93.99912 2.75879 2.05808 -93.92860 608.01160
4450.0000 -96.90589 -94.25107 2.65481 2.02545 -94.31023 576.83215
4455.0000 -95.72950 -92.52693 3.20257 2.11989 -93.20567 643.68369
4460.0000 -96.68514 -93.06868 3.61646 2.15019 -92.85125 661.49462
4465.0000 -97.09295 -93.81858 3.27437 2.06865 -93.80496 613.37124
4470.0000 -95.48356 -93.04848 2.43508 2.08594 -93.60265 630.66725
4475.0000 -96.01283 -92.55516 3.45767 2.12401 -93.15741 669.39073
4480.0000 -96.66494 -92.65047 4.01447 2.16901 -92.63112 665.31345
4485.0000 -97.46118 -94.74027 2.72091 2.09984 -93.44007 648.29379
4490.0000 -97.01249 -93.91795 3.09454 2.05969 -93.90977 588.67396
4495.0000 -96.42292 -92.80191 3.62101 2.09053 -93.54906 619.10278
4500.0000 -96.32964 -93.26961 3.06003 2.12152 -93.18654 629.80058
FREEZING PROCESS: loop number 19 T-loop= 613.00000000000000
main_MD> interactions number 19 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.39401 -0.04369 -5.10759
force_rgl> df(natom) 1.31141 0.48352 0.99524
4505.0000 -95.83120 -92.09932 3.73187 2.12431 -93.15391 658.18251
4510.0000 -96.33115 -93.11417 3.21698 2.18196 -92.47960 685.08505
4515.0000 -96.91380 -93.71149 3.20231 2.14005 -92.96977 674.21373
4520.0000 -97.39471 -94.02966 3.36505 2.07120 -93.77514 636.95076
4525.0000 -96.53674 -93.19485 3.34188 2.04883 -94.03671 626.65752
4530.0000 -96.35837 -93.20371 3.15466 2.13667 -93.00937 659.39771
4535.0000 -95.91960 -93.27197 2.64763 2.10550 -93.37398 617.71292
4540.0000 -96.77274 -93.97183 2.80091 2.08937 -93.56261 593.93159
4545.0000 -96.94683 -94.34026 2.60657 2.03879 -94.15419 599.78041
4550.0000 -97.39726 -94.44920 2.94807 2.04440 -94.08852 569.73723
4555.0000 -97.17258 -93.98437 3.18821 1.99946 -94.61423 543.70407
4560.0000 -96.83459 -94.12566 2.70892 2.02439 -94.32254 564.93814
4565.0000 -97.38469 -94.69560 2.68909 2.03706 -94.17444 607.99709
4570.0000 -97.66543 -93.86791 3.79751 2.03808 -94.16242 611.86337
4575.0000 -96.43024 -93.88687 2.54337 2.07040 -93.78445 609.02280
4580.0000 -97.63726 -94.17684 3.46042 2.05645 -93.94763 612.10846
4585.0000 -97.33770 -94.69813 2.63957 2.02830 -94.27682 576.88916
4590.0000 -96.54646 -93.63139 2.91507 2.04948 -94.02918 600.67527
4595.0000 -97.70452 -94.04998 3.65454 2.07503 -93.73034 619.57188
4600.0000 -96.90929 -93.94718 2.96211 2.08697 -93.59066 649.10488
4605.0000 -96.59395 -93.53973 3.05421 2.07398 -93.74255 583.45035
4610.0000 -96.56804 -93.35619 3.21184 2.08600 -93.60198 621.23052
4615.0000 -96.58585 -93.38310 3.20275 2.08549 -93.60791 638.36004
4620.0000 -97.33162 -94.09749 3.23412 2.06793 -93.81335 595.43603
4625.0000 -97.28279 -94.06708 3.21570 2.08204 -93.64829 615.99627
4630.0000 -97.46246 -94.45735 3.00510 2.06651 -93.82994 606.99509
4635.0000 -96.95961 -93.35501 3.60461 2.07508 -93.72975 620.96805
4640.0000 -97.40773 -94.66228 2.74545 2.05771 -93.93292 617.27681
4645.0000 -96.63880 -93.62330 3.01549 2.03849 -94.15763 592.27408
4650.0000 -97.84342 -95.29085 2.55257 2.00668 -94.52974 572.91230
4655.0000 -97.80184 -94.64411 3.15773 1.95902 -95.08712 522.75926
4660.0000 -97.34613 -93.98904 3.35709 2.03535 -94.19436 574.64551
4665.0000 -97.12980 -93.90730 3.22250 2.05378 -93.97886 598.61445
4670.0000 -97.02237 -93.38087 3.64150 2.07540 -93.72597 636.59670
4675.0000 -96.66967 -93.02731 3.64237 2.13060 -93.08036 661.78285
4680.0000 -96.58049 -93.31680 3.26369 2.16831 -92.63926 677.98188
4685.0000 -97.24832 -93.39985 3.84847 2.11056 -93.31472 621.21678
4690.0000 -97.20837 -93.91365 3.29473 2.14681 -92.89080 688.77960
4695.0000 -97.79066 -94.51077 3.27989 2.04108 -94.12734 603.37698
4700.0000 -97.66970 -94.88887 2.78083 2.03499 -94.19857 578.28614
4705.0000 -97.50389 -94.41184 3.09205 1.99769 -94.63487 533.73491
4710.0000 -97.30243 -94.48392 2.81850 2.01736 -94.40487 587.31218
4715.0000 -97.40602 -94.01250 3.39352 2.03086 -94.24693 606.24896
4720.0000 -96.39501 -92.81980 3.57521 2.06918 -93.79870 624.91745
4725.0000 -96.02556 -92.48686 3.53870 2.17831 -92.52233 699.07421
4730.0000 -96.06749 -92.93195 3.13555 2.16304 -92.70091 683.98413
4735.0000 -96.17409 -93.41087 2.76322 2.10676 -93.35924 646.76002
4740.0000 -97.33845 -94.40838 2.93006 2.07022 -93.78661 594.58838
4745.0000 -96.66765 -93.46881 3.19883 2.06272 -93.87431 581.81170
4750.0000 -97.08003 -93.99411 3.08592 2.08168 -93.65250 622.94574
FREEZING PROCESS: loop number 20 T-loop= 588.00000000000000
main_MD> interactions number 20 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.41574 -0.42954 -1.84414
force_rgl> df(natom) 3.33938 -1.43139 4.65915
4755.0000 -95.99309 -92.44296 3.55013 2.10410 -93.39030 607.80524
4760.0000 -96.15883 -93.79745 2.36138 2.12134 -93.18864 620.20334
4765.0000 -97.35372 -94.47881 2.87490 2.01459 -94.43720 513.87542
4770.0000 -97.74748 -94.52716 3.22032 2.00367 -94.56495 534.00686
4775.0000 -97.00730 -93.61967 3.38763 2.05281 -93.99014 613.19701
4780.0000 -97.19988 -93.78081 3.41907 2.08894 -93.56763 622.86506
4785.0000 -97.07644 -93.41782 3.65861 2.09362 -93.51282 650.46307
4790.0000 -97.64964 -95.15738 2.49227 2.00587 -94.53915 545.16110
4795.0000 -96.73552 -94.54650 2.18902 2.03222 -94.23106 572.87948
4800.0000 -97.51847 -94.82485 2.69362 1.97231 -94.93178 527.97863
4805.0000 -96.97572 -93.72748 3.24824 2.02614 -94.30210 611.20106
4810.0000 -97.28053 -93.30640 3.97413 2.07006 -93.78846 630.28440
4815.0000 -96.83100 -93.61071 3.22029 2.09884 -93.45186 627.43373
4820.0000 -96.44824 -93.47173 2.97650 2.08679 -93.59272 583.63468
4825.0000 -97.43648 -94.09292 3.34357 2.06407 -93.85852 596.43904
4830.0000 -96.94384 -94.24227 2.70158 2.00659 -94.53082 560.15224
4835.0000 -96.91455 -93.16283 3.75172 2.04627 -94.06669 552.95983
4840.0000 -96.66689 -93.13600 3.53089 2.11428 -93.27120 631.13741
4845.0000 -96.49316 -93.72509 2.76807 2.12703 -93.12213 669.12712
4850.0000 -97.00652 -94.42544 2.58107 2.03617 -94.18486 526.12823
4855.0000 -98.04056 -95.35279 2.68777 1.94994 -95.19336 502.56500
4860.0000 -97.27383 -94.76446 2.50937 1.95716 -95.10893 520.09120
4865.0000 -97.72866 -95.24483 2.48383 1.99112 -94.71169 562.34039
4870.0000 -97.84104 -94.78897 3.05208 1.95869 -95.09100 519.09160
4875.0000 -97.65787 -94.62777 3.03010 2.00155 -94.58967 553.80254
4880.0000 -96.94230 -93.97377 2.96853 2.07219 -93.76346 615.63476
4885.0000 -96.97632 -94.48070 2.49562 2.04394 -94.09390 628.60295
4890.0000 -96.98301 -94.14503 2.83797 2.03186 -94.23518 569.10980
4895.0000 -97.18453 -93.86486 3.31967 2.03360 -94.21487 572.74281
4900.0000 -96.87677 -93.95922 2.91755 2.04645 -94.06454 565.85841
4905.0000 -97.34783 -95.14629 2.20155 2.02116 -94.36036 548.13964
4910.0000 -96.74745 -93.54794 3.19951 2.02931 -94.26500 568.12572
4915.0000 -97.18640 -93.89099 3.29541 2.09170 -93.53537 651.81870
4920.0000 -97.19233 -93.67418 3.51816 2.05156 -94.00480 591.25722
4925.0000 -97.17643 -94.22978 2.94665 2.05695 -93.94177 585.27888
4930.0000 -96.98842 -94.05166 2.93677 2.01085 -94.48100 576.62039
4935.0000 -97.32858 -94.60835 2.72022 2.02753 -94.28590 564.39349
4940.0000 -97.17420 -94.12169 3.05251 2.01427 -94.44094 576.62040
4945.0000 -96.75149 -94.36793 2.38356 2.03636 -94.18260 578.10393
4950.0000 -97.20812 -94.59445 2.61366 2.06246 -93.87735 598.32304
4955.0000 -96.48159 -93.70811 2.77348 2.03984 -94.14192 589.59249
4960.0000 -96.59538 -93.29611 3.29928 2.08809 -93.57753 600.43130
4965.0000 -97.00609 -94.25116 2.75493 2.06834 -93.80849 586.74720
4970.0000 -97.57290 -94.53737 3.03553 2.05264 -93.99217 594.29624
4975.0000 -97.39002 -93.87259 3.51743 2.03661 -94.17970 585.23073
4980.0000 -97.51288 -94.50650 3.00637 2.02690 -94.29322 586.85588
4985.0000 -97.65435 -94.59468 3.05968 2.01184 -94.46941 586.11528
4990.0000 -97.24413 -94.53006 2.71407 1.98844 -94.74312 531.69579
4995.0000 -97.56771 -94.41394 3.15377 2.00641 -94.53286 561.07794
5000.0000 -97.51205 -94.58925 2.92280 1.99962 -94.61226 536.46819
FREEZING PROCESS: loop number 21 T-loop= 563.00000000000000
main_MD> interactions number 21 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81964 0.06076 -0.35803
force_rgl> df(natom) 0.35603 -1.01059 0.04776
5005.0000 -97.25067 -95.00636 2.24431 1.98162 -94.82280 513.47445
5010.0000 -96.97633 -93.80296 3.17337 2.03874 -94.15475 543.02287
5015.0000 -96.83965 -93.69556 3.14409 2.06418 -93.85716 608.81718
5020.0000 -98.30161 -94.96975 3.33186 2.03038 -94.25254 602.61946
5025.0000 -97.57668 -94.60838 2.96830 1.98402 -94.79476 569.48915
5030.0000 -97.32331 -94.93349 2.38981 1.98930 -94.73302 539.04776
5035.0000 -97.73081 -94.80559 2.92523 2.01174 -94.47059 553.55011
5040.0000 -97.32332 -94.51676 2.80656 1.98003 -94.84139 516.67923
5045.0000 -96.91963 -94.51627 2.40336 2.04227 -94.11346 570.96527
5050.0000 -97.70390 -95.06742 2.63648 2.00836 -94.51004 526.76165
5055.0000 -98.00604 -95.18121 2.82483 1.93878 -95.32385 492.55896
5060.0000 -97.26950 -94.23931 3.03019 2.00838 -94.50981 551.10777
5065.0000 -97.08091 -94.54551 2.53540 1.97519 -94.89801 550.29593
5070.0000 -97.16850 -94.22536 2.94314 2.03844 -94.15827 592.73589
5075.0000 -96.83137 -93.42390 3.40748 2.05177 -94.00235 595.43638
5080.0000 -97.36979 -94.34658 3.02322 2.01598 -94.42090 574.00578
5085.0000 -95.80913 -93.28163 2.52749 2.04454 -94.08686 595.85399
5090.0000 -96.94817 -94.84189 2.10628 2.04100 -94.12827 597.28571
5095.0000 -98.35901 -95.18134 3.17767 1.96163 -95.05666 527.06272
5100.0000 -97.86189 -95.14486 2.71703 1.95660 -95.11551 511.92582
5105.0000 -97.03945 -94.58328 2.45618 1.98728 -94.75668 538.91779
5110.0000 -97.26230 -94.39720 2.86511 2.03560 -94.19147 588.16249
5115.0000 -98.23150 -95.79311 2.43839 1.97173 -94.93855 501.49855
5120.0000 -97.74717 -95.18362 2.56355 1.92114 -95.53020 463.07853
5125.0000 -97.44068 -93.92280 3.51788 1.96264 -95.04481 523.45742
5130.0000 -97.94359 -94.79266 3.15093 1.99365 -94.68217 592.45604
5135.0000 -97.25501 -94.18359 3.07142 2.01436 -94.43996 589.36296
5140.0000 -97.60915 -94.14031 3.46884 2.01937 -94.38125 562.36827
5145.0000 -97.94093 -95.13420 2.80672 2.00880 -94.50496 566.28438
5150.0000 -97.51321 -94.86537 2.64784 1.93865 -95.32541 505.75398
5155.0000 -97.12380 -94.30216 2.82163 2.01343 -94.45072 559.73375
5160.0000 -97.58394 -94.74870 2.83524 1.98573 -94.77474 545.06454
5165.0000 -97.21792 -94.11415 3.10377 1.99957 -94.61287 559.20413
5170.0000 -97.50731 -95.06932 2.43799 1.97895 -94.85400 555.79728
5175.0000 -97.42667 -95.11345 2.31322 1.96232 -95.04856 533.50278
5180.0000 -98.17276 -95.04582 3.12693 1.98134 -94.82608 562.05481
5185.0000 -97.88969 -95.07345 2.81624 1.99692 -94.64384 562.38355
5190.0000 -98.59885 -96.08013 2.51871 1.91680 -95.58092 470.16243
5195.0000 -97.75026 -95.52535 2.22491 1.90918 -95.67007 469.64968
5200.0000 -98.22087 -95.14353 3.07734 1.91347 -95.61996 471.01496
5205.0000 -97.96051 -95.70504 2.25547 1.93322 -95.38886 499.21865
5210.0000 -96.44763 -93.98421 2.46342 1.99218 -94.69934 534.85986
5215.0000 -96.80321 -94.18751 2.61570 2.04521 -94.07905 591.31529
5220.0000 -97.70120 -94.15852 3.54268 2.03696 -94.17558 588.06231
5225.0000 -97.02287 -93.65387 3.36900 2.05636 -93.94866 591.81001
5230.0000 -96.84600 -93.71964 3.12636 2.10048 -93.43268 621.91136
5235.0000 -96.78715 -94.02882 2.75834 2.05054 -94.01678 566.80953
5240.0000 -96.72601 -94.30365 2.42236 2.02555 -94.30907 568.54216
5245.0000 -97.25126 -94.25105 3.00021 2.01343 -94.45075 573.79397
5250.0000 -96.81926 -94.37934 2.43992 2.01610 -94.41958 558.71562
FREEZING PROCESS: loop number 22 T-loop= 538.00000000000000
main_MD> interactions number 22 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.14540 1.98624 -0.87140
force_rgl> df(natom) -2.62025 1.72293 1.28625
5255.0000 -96.97027 -94.27798 2.69229 2.03161 -94.23817 561.59486
5260.0000 -97.43797 -94.60079 2.83719 1.97212 -94.93393 514.31819
5265.0000 -97.60001 -94.44906 3.15095 2.01657 -94.41408 569.91488
5270.0000 -97.86436 -94.83396 3.03040 1.99655 -94.64818 561.13936
5275.0000 -98.11455 -95.52769 2.58686 1.95588 -95.12389 540.06392
5280.0000 -97.07072 -94.41493 2.65579 2.00225 -94.58159 554.49010
5285.0000 -97.17561 -94.20185 2.97375 2.01637 -94.41643 537.57893
5290.0000 -97.45701 -95.07962 2.37740 1.96537 -95.01289 511.54526
5295.0000 -97.09275 -94.13125 2.96150 1.99020 -94.72248 514.33377
5300.0000 -96.90943 -94.07918 2.83025 2.07052 -93.78309 585.96140
5305.0000 -97.02084 -94.15259 2.86825 2.03466 -94.20247 600.16710
5310.0000 -97.48519 -94.40337 3.08183 2.04171 -94.12002 580.37730
5315.0000 -97.68962 -95.05015 2.63947 1.98969 -94.72843 551.30043
5320.0000 -98.52318 -96.10543 2.41775 1.95311 -95.15625 501.05850
5325.0000 -97.72602 -95.12023 2.60579 1.90413 -95.72919 463.22550
5330.0000 -97.78892 -94.95850 2.83043 1.94077 -95.30062 512.00569
5335.0000 -96.80564 -93.88851 2.91713 2.07829 -93.69220 627.29260
5340.0000 -97.27432 -94.91861 2.35572 2.05061 -94.01591 600.27464
5345.0000 -97.09057 -94.26181 2.82876 1.96621 -95.00310 506.50558
5350.0000 -97.30250 -94.42187 2.88063 2.01754 -94.40276 561.90456
5355.0000 -97.38532 -94.47920 2.90611 2.00645 -94.53238 541.05119
5360.0000 -97.14646 -94.96679 2.17968 2.01588 -94.42207 554.01992
5365.0000 -97.92633 -95.28967 2.63667 1.95349 -95.15187 526.74724
5370.0000 -97.57660 -95.07523 2.50137 1.95518 -95.13211 537.89584
5375.0000 -98.54467 -95.77006 2.77462 1.93368 -95.38359 552.24768
5380.0000 -98.55418 -95.67241 2.88177 1.88843 -95.91281 502.74930
5385.0000 -98.51197 -96.20011 2.31186 1.88155 -95.99331 495.17773
5390.0000 -98.34795 -95.58885 2.75910 1.87249 -96.09924 493.44382
5395.0000 -98.28017 -95.06619 3.21398 1.95369 -95.14950 569.97633
5400.0000 -96.95566 -94.45386 2.50180 1.99161 -94.70604 553.92098
5405.0000 -97.60148 -94.28540 3.31608 2.01485 -94.43422 538.95804
5410.0000 -97.14500 -94.84389 2.30111 1.99955 -94.61308 537.17650
5415.0000 -98.37914 -96.43502 1.94412 1.88989 -95.89566 461.38028
5420.0000 -98.13511 -94.35616 3.77896 1.89688 -95.81399 488.59685
5425.0000 -97.59315 -94.89588 2.69727 2.00097 -94.59654 575.59170
5430.0000 -97.76806 -95.39209 2.37598 1.94241 -95.28142 511.48229
5435.0000 -99.08969 -95.79007 3.29962 1.91586 -95.59194 493.85672
5440.0000 -98.03352 -95.45243 2.58109 1.89018 -95.89232 438.04394
5445.0000 -97.80953 -94.82493 2.98460 1.96632 -95.00178 523.77287
5450.0000 -97.40373 -95.22562 2.17812 1.95833 -95.09525 516.97213
5455.0000 -97.53308 -94.95076 2.58232 1.96976 -94.96160 530.68885
5460.0000 -97.06886 -94.62035 2.44851 2.01624 -94.41793 577.33045
5465.0000 -97.24782 -94.25596 2.99186 2.01258 -94.46069 562.56870
5470.0000 -97.52317 -94.60149 2.92167 2.01742 -94.40413 559.65449
5475.0000 -97.35276 -94.53677 2.81600 1.99472 -94.66966 564.01873
5480.0000 -97.61017 -95.05562 2.55455 1.95401 -95.14574 502.95735
5485.0000 -97.36329 -94.45638 2.90690 2.00856 -94.50777 530.93002
5490.0000 -97.49492 -94.70083 2.79410 2.00640 -94.53305 545.52140
5495.0000 -97.83730 -95.08918 2.74813 1.98136 -94.82587 529.89977
5500.0000 -97.96516 -95.16440 2.80076 1.94586 -95.24107 501.87444
FREEZING PROCESS: loop number 23 T-loop= 513.00000000000000
main_MD> interactions number 23 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08875 -0.18377 -1.20002
force_rgl> df(natom) -1.94503 0.09205 1.31203
5505.0000 -98.04867 -94.92634 3.12234 1.95249 -95.16353 513.14254
5510.0000 -98.08959 -95.80411 2.28548 1.94371 -95.26622 519.75939
5515.0000 -97.69405 -94.93697 2.75708 1.94803 -95.21573 526.58930
5520.0000 -97.74118 -94.76946 2.97172 1.97927 -94.85031 539.77166
5525.0000 -97.92007 -95.03861 2.88146 1.97589 -94.88991 537.89461
5530.0000 -97.62350 -95.10635 2.51716 1.95877 -95.09014 511.75424
5535.0000 -97.86526 -95.44369 2.42157 1.93390 -95.38098 463.62830
5540.0000 -98.27357 -95.52134 2.75224 1.93887 -95.32285 500.86890
5545.0000 -97.63893 -95.28191 2.35703 1.90111 -95.76452 469.92507
5550.0000 -98.36486 -95.68149 2.68337 1.92303 -95.50807 490.52145
5555.0000 -98.19836 -95.55411 2.64426 1.91139 -95.64428 486.03743
5560.0000 -98.06184 -96.08210 1.97973 1.90418 -95.72858 455.40161
5565.0000 -98.72520 -95.91147 2.81373 1.86784 -96.15359 432.25442
5570.0000 -98.35030 -96.14211 2.20819 1.88689 -95.93077 470.47184
5575.0000 -98.62112 -96.09267 2.52845 1.87150 -96.11083 465.12707
5580.0000 -98.53031 -96.05582 2.47449 1.88831 -95.91421 482.09933
5585.0000 -97.87546 -95.24700 2.62846 1.91829 -95.56352 512.17859
5590.0000 -97.19424 -94.26804 2.92620 1.98805 -94.74768 565.73301
5595.0000 -97.50867 -94.99642 2.51224 1.99234 -94.69741 547.63964
5600.0000 -97.77100 -94.77569 2.99532 1.95473 -95.13728 481.50490
5605.0000 -97.95243 -94.52599 3.42644 2.01426 -94.44107 588.34843
5610.0000 -97.93113 -95.35227 2.57886 1.96778 -94.98469 530.21026
5615.0000 -98.21292 -96.06021 2.15271 1.91182 -95.63923 475.54012
5620.0000 -97.86455 -95.27307 2.59148 1.91445 -95.60842 470.67378
5625.0000 -98.44369 -95.01320 3.43049 1.96288 -95.04204 555.20357
5630.0000 -97.94974 -95.24590 2.70384 1.95629 -95.11908 543.87794
5635.0000 -97.50658 -95.08813 2.41845 1.91065 -95.65289 478.69666
5640.0000 -97.25533 -94.82993 2.42540 1.99091 -94.71416 537.71953
5645.0000 -97.49346 -94.56418 2.92927 1.96296 -95.04107 506.55330
5650.0000 -97.68728 -94.17298 3.51430 2.02657 -94.29713 583.19862
5655.0000 -97.37867 -94.06212 3.31654 2.03449 -94.20452 584.73548
5660.0000 -96.73796 -94.36593 2.37203 2.02314 -94.33727 539.88681
5665.0000 -98.20648 -95.41310 2.79338 1.98330 -94.80317 544.97928
5670.0000 -98.18225 -95.30974 2.87251 1.92319 -95.50626 488.87114
5675.0000 -98.66167 -95.87451 2.78716 1.89457 -95.84103 449.20380
5680.0000 -97.94568 -95.72332 2.22236 1.89111 -95.88148 442.17954
5685.0000 -97.63999 -94.80453 2.83547 1.93739 -95.34010 517.86279
5690.0000 -97.41266 -94.00103 3.41163 1.99075 -94.71604 569.18764
5695.0000 -97.58652 -95.75905 1.82747 1.93556 -95.36156 499.11538
5700.0000 -98.18977 -95.73272 2.45705 1.90708 -95.69461 478.37904
5705.0000 -97.90824 -95.08103 2.82720 1.93153 -95.40874 486.03810
5710.0000 -97.88791 -95.49995 2.38796 1.95890 -95.08853 530.97261
5715.0000 -97.98781 -95.14803 2.83978 1.93056 -95.42007 530.32617
5720.0000 -98.47077 -95.66423 2.80653 1.95027 -95.18948 567.01412
5725.0000 -97.89287 -95.88380 2.00907 1.92524 -95.48231 520.20936
5730.0000 -97.97370 -95.39136 2.58234 1.90197 -95.75439 481.61508
5735.0000 -96.68119 -94.23978 2.44141 1.98234 -94.81438 533.93118
5740.0000 -97.42723 -94.97543 2.45180 1.98164 -94.82256 516.46937
5745.0000 -97.98300 -95.03269 2.95031 1.97262 -94.92811 503.20535
5750.0000 -97.70139 -94.79407 2.90732 1.94912 -95.20294 478.26067
FREEZING PROCESS: loop number 24 T-loop= 488.00000000000000
main_MD> interactions number 24 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52288 0.21487 -1.31499
force_rgl> df(natom) 1.31527 0.56579 1.08965
5755.0000 -97.69003 -94.99349 2.69654 2.02743 -94.28709 547.33330
5760.0000 -98.15254 -94.84896 3.30358 1.95181 -95.17146 527.92198
5765.0000 -98.65262 -95.89675 2.75587 1.91900 -95.55521 522.38724
5770.0000 -97.94051 -95.05793 2.88258 1.91683 -95.58064 510.43811
5775.0000 -98.12597 -95.51509 2.61088 1.97205 -94.93478 532.27889
5780.0000 -99.16441 -96.43622 2.72819 1.86486 -96.18848 475.51781
5785.0000 -98.70379 -96.11422 2.58957 1.87252 -96.09886 490.87682
5790.0000 -98.30782 -95.78335 2.52448 1.87809 -96.03367 494.90994
5795.0000 -98.18979 -95.97052 2.21928 1.91671 -95.58205 510.58963
5800.0000 -97.90037 -95.39006 2.51031 1.89745 -95.80728 489.24344
5805.0000 -98.55852 -95.84499 2.71353 1.92957 -95.43167 515.26560
5810.0000 -98.75000 -95.72985 3.02015 1.91621 -95.58783 508.73981
5815.0000 -97.49883 -95.07049 2.42833 1.94205 -95.28568 522.61802
5820.0000 -98.17809 -95.63870 2.53939 1.93095 -95.41552 502.78903
5825.0000 -98.34557 -96.05072 2.29485 1.88491 -95.95395 461.00780
5830.0000 -98.09210 -95.92154 2.17056 1.88407 -95.96373 433.29236
5835.0000 -98.24490 -96.22854 2.01636 1.87523 -96.06716 427.12621
5840.0000 -98.07263 -95.69800 2.37463 1.87415 -96.07986 440.32605
5845.0000 -98.37863 -95.63210 2.74653 1.92719 -95.45947 510.96572
5850.0000 -98.49112 -96.35823 2.13289 1.83991 -96.48032 455.08852
5855.0000 -98.65018 -96.67514 1.97505 1.81390 -96.78444 430.96057
5860.0000 -98.81400 -96.64083 2.17316 1.81932 -96.72105 436.69109
5865.0000 -99.17846 -96.93418 2.24428 1.82965 -96.60026 467.84079
5870.0000 -98.77536 -96.48305 2.29230 1.81678 -96.75085 440.09602
5875.0000 -99.04688 -96.39591 2.65098 1.82815 -96.61778 450.32570
5880.0000 -98.99501 -96.81334 2.18167 1.83423 -96.54671 450.51321
5885.0000 -99.13596 -96.22727 2.90869 1.84476 -96.42355 471.32030
5890.0000 -98.27494 -95.63498 2.63996 1.86587 -96.17669 452.44398
5895.0000 -97.96006 -94.98395 2.97611 1.93716 -95.34279 541.76067
5900.0000 -98.53891 -96.10636 2.43256 1.90370 -95.73422 515.56312
5905.0000 -98.90014 -96.70581 2.19433 1.84929 -96.37057 461.08836
5910.0000 -98.78973 -96.66324 2.12649 1.83973 -96.48233 456.72796
5915.0000 -98.87957 -96.60987 2.26971 1.81593 -96.76073 422.13421
5920.0000 -99.20848 -96.43743 2.77105 1.84062 -96.47199 443.89495
5925.0000 -98.14465 -96.35587 1.78878 1.84091 -96.46856 456.49353
5930.0000 -99.37332 -97.03444 2.33888 1.83974 -96.48230 463.09652
5935.0000 -98.76526 -96.57989 2.18537 1.81629 -96.75657 431.01600
5940.0000 -98.86587 -96.14721 2.71866 1.83708 -96.51339 450.22138
5945.0000 -98.75771 -95.89276 2.86496 1.86230 -96.21846 473.28908
5950.0000 -98.38523 -95.50542 2.87982 1.88245 -95.98272 501.82496
5955.0000 -98.45216 -96.33179 2.12038 1.88528 -95.94961 506.96370
5960.0000 -98.53414 -96.66147 1.87267 1.85759 -96.27353 467.52959
5965.0000 -99.14405 -96.77103 2.37302 1.80568 -96.88067 424.19397
5970.0000 -99.15819 -96.54679 2.61140 1.82194 -96.69041 443.30674
5975.0000 -98.60745 -96.17598 2.43147 1.85203 -96.33858 463.93266
5980.0000 -99.36838 -96.80997 2.55841 1.84577 -96.41177 449.14767
5985.0000 -99.00605 -96.99995 2.00609 1.81934 -96.72092 442.64852
5990.0000 -98.93596 -96.22173 2.71423 1.83284 -96.56293 452.31487
5995.0000 -98.93714 -96.38268 2.55447 1.84843 -96.38061 466.16206
6000.0000 -97.98325 -95.42295 2.56029 1.91395 -95.61428 536.10136
FREEZING PROCESS: loop number 25 T-loop= 463.00000000000000
main_MD> interactions number 25 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.35838 1.02567 -0.49115
force_rgl> df(natom) 2.80541 -1.92257 -1.18346
6005.0000 -98.30314 -95.94137 2.36177 1.92612 -95.47201 528.54505
6010.0000 -97.93477 -96.03491 1.89986 1.89318 -95.85719 447.82474
6015.0000 -98.34055 -95.71689 2.62365 1.89193 -95.87181 447.14816
6020.0000 -98.14582 -95.79572 2.35010 1.91493 -95.60282 479.16802
6025.0000 -98.82103 -96.23850 2.58254 1.87966 -96.01538 450.83448
6030.0000 -98.60376 -96.06627 2.53749 1.85005 -96.36164 432.48434
6035.0000 -98.61747 -96.18246 2.43501 1.88841 -95.91301 467.90762
6040.0000 -98.41724 -95.96324 2.45401 1.89143 -95.87766 439.32936
6045.0000 -97.93082 -95.56890 2.36191 1.91338 -95.62094 472.00944
6050.0000 -98.48373 -96.05278 2.43095 1.90417 -95.72871 463.58985
6055.0000 -97.62829 -95.32701 2.30128 1.89117 -95.88072 457.09967
6060.0000 -98.19552 -95.70742 2.48810 1.89513 -95.83441 441.36096
6065.0000 -98.28130 -95.95308 2.32822 1.90167 -95.75793 462.30525
6070.0000 -97.74331 -94.91156 2.83176 1.90484 -95.72086 467.53448
6075.0000 -98.27032 -96.17730 2.09303 1.89685 -95.81429 466.98773
6080.0000 -98.01295 -95.69314 2.31981 1.88973 -95.89761 456.33221
6085.0000 -97.80838 -94.66977 3.13861 1.94630 -95.23593 520.65675
6090.0000 -98.31154 -96.05664 2.25490 1.93336 -95.38725 505.65220
6095.0000 -98.38655 -96.52734 1.85921 1.83673 -96.51753 400.72801
6100.0000 -98.42422 -96.47622 1.94800 1.83675 -96.51725 400.25726
6105.0000 -99.15874 -96.72482 2.43392 1.84338 -96.43966 425.02677
6110.0000 -98.97536 -96.96234 2.01302 1.82987 -96.59769 411.70905
6115.0000 -98.00095 -96.15848 1.84247 1.82328 -96.67482 397.19367
6120.0000 -97.80274 -95.91434 1.88840 1.89551 -95.82996 459.73277
6125.0000 -98.32185 -96.05341 2.26844 1.87181 -96.10723 460.42357
6130.0000 -98.47083 -95.83866 2.63217 1.90821 -95.68142 511.62910
6135.0000 -99.01372 -96.88179 2.13193 1.85177 -96.34162 435.37717
6140.0000 -98.54475 -96.40502 2.13973 1.86894 -96.14070 458.37193
6145.0000 -98.80143 -96.75653 2.04489 1.84948 -96.36830 435.33377
6150.0000 -98.55473 -96.97085 1.58388 1.81174 -96.80980 428.05504
6155.0000 -98.39463 -96.44528 1.94935 1.83080 -96.58689 431.18465
6160.0000 -99.07272 -97.12085 1.95187 1.82646 -96.63763 416.43078
6165.0000 -98.20973 -96.10544 2.10429 1.84339 -96.43960 435.65188
6170.0000 -99.45475 -97.55032 1.90443 1.81352 -96.78889 421.85388
6175.0000 -98.70491 -96.01145 2.69346 1.81374 -96.78642 414.38413
6180.0000 -98.70882 -96.22333 2.48550 1.86908 -96.13915 444.06683
6185.0000 -98.32144 -95.94164 2.37980 1.88346 -95.97097 454.87976
6190.0000 -98.19834 -95.83852 2.35983 1.89145 -95.87741 451.54302
6195.0000 -97.87167 -95.34726 2.52442 1.92325 -95.50557 456.13476
6200.0000 -98.85930 -96.75765 2.10165 1.86822 -96.14917 436.97866
6205.0000 -98.37874 -95.85019 2.52855 1.84571 -96.41241 426.40589
6210.0000 -98.60842 -95.93168 2.67675 1.87298 -96.09345 450.87282
6215.0000 -98.61988 -96.12699 2.49289 1.89488 -95.83736 469.27502
6220.0000 -98.42189 -96.15961 2.26228 1.89079 -95.88523 463.95056
6225.0000 -97.99041 -95.48292 2.50749 1.88788 -95.91924 463.21648
6230.0000 -98.69797 -97.11722 1.58075 1.84895 -96.37451 427.04404
6235.0000 -99.06941 -96.50929 2.56012 1.82758 -96.62447 414.92256
6240.0000 -98.48308 -96.15895 2.32412 1.84557 -96.41407 439.47073
6245.0000 -98.00547 -95.63756 2.36791 1.87633 -96.05430 444.91316
6250.0000 -97.88178 -95.44409 2.43769 1.92010 -95.54236 489.05308
FREEZING PROCESS: loop number 26 T-loop= 438.00000000000000
main_MD> interactions number 26 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87350 0.34574 0.02882
force_rgl> df(natom) -0.02634 -3.83753 -1.61807
6255.0000 -97.85631 -95.41550 2.44081 1.93062 -95.41935 486.03891
6260.0000 -98.57909 -95.82654 2.75256 1.93452 -95.37370 481.42634
6265.0000 -98.65144 -96.34588 2.30556 1.86473 -96.19000 426.96131
6270.0000 -98.44869 -96.07345 2.37525 1.87085 -96.11841 466.03837
6275.0000 -98.28822 -95.76031 2.52791 1.86776 -96.15460 442.26864
6280.0000 -98.64997 -96.23459 2.41538 1.87920 -96.02078 457.09874
6285.0000 -98.70693 -96.65103 2.05590 1.85511 -96.30245 427.81361
6290.0000 -98.34046 -96.28935 2.05111 1.84305 -96.44357 414.08654
6295.0000 -98.32533 -96.08133 2.24400 1.88646 -95.93587 431.96681
6300.0000 -98.75099 -96.15987 2.59112 1.86066 -96.23755 435.45425
6305.0000 -98.56186 -96.91400 1.64786 1.82530 -96.65111 386.58552
6310.0000 -98.77323 -96.72999 2.04324 1.81002 -96.82989 385.66271
6315.0000 -98.55869 -96.38714 2.17156 1.81352 -96.78892 391.40468
6320.0000 -98.78086 -96.78529 1.99558 1.83187 -96.57427 406.10312
6325.0000 -98.36609 -96.18121 2.18488 1.82294 -96.67878 402.79614
6330.0000 -98.37114 -96.32544 2.04570 1.88788 -95.91926 449.09526
6335.0000 -99.11022 -96.35739 2.75283 1.84418 -96.43037 407.08475
6340.0000 -98.59929 -96.56638 2.03291 1.81536 -96.76745 396.77235
6345.0000 -98.55407 -96.36320 2.19087 1.85859 -96.26180 434.66843
6350.0000 -98.21285 -95.95362 2.25924 1.86480 -96.18921 442.83889
6355.0000 -98.35221 -96.21653 2.13567 1.88560 -95.94585 448.40227
6360.0000 -98.62502 -96.64497 1.98005 1.82833 -96.61576 393.99042
6365.0000 -99.48479 -97.38061 2.10418 1.80240 -96.91902 366.79526
6370.0000 -98.79172 -96.97321 1.81851 1.78611 -97.10958 348.63165
6375.0000 -98.52498 -96.15329 2.37169 1.81184 -96.80859 389.66707
6380.0000 -99.14349 -96.98266 2.16084 1.83637 -96.52168 415.49829
6385.0000 -98.76164 -96.27241 2.48923 1.83732 -96.51062 410.53500
6390.0000 -98.89715 -97.06800 1.82915 1.81669 -96.75181 381.74938
6395.0000 -98.88801 -96.53554 2.35247 1.81497 -96.77195 404.94200
6400.0000 -98.67309 -96.14668 2.52642 1.87274 -96.09630 479.88213
6405.0000 -98.82419 -96.96886 1.85534 1.84719 -96.39509 433.01449
6410.0000 -99.13509 -97.07700 2.05809 1.81207 -96.80586 402.60669
6415.0000 -98.97572 -96.47119 2.50454 1.80121 -96.93295 387.55159
6420.0000 -99.16636 -96.73076 2.43559 1.82891 -96.60889 404.85292
6425.0000 -98.69701 -96.89823 1.79879 1.79337 -97.02458 382.35945
6430.0000 -98.66470 -96.63286 2.03183 1.80292 -96.91288 394.48039
6435.0000 -98.74246 -96.91777 1.82468 1.80349 -96.90628 393.82286
6440.0000 -98.81903 -96.78397 2.03506 1.80891 -96.84283 395.94256
6445.0000 -99.34704 -97.08026 2.26678 1.81015 -96.82837 398.34553
6450.0000 -99.27750 -97.12267 2.15483 1.82357 -96.67135 412.81267
6455.0000 -98.77534 -96.66804 2.10730 1.79915 -96.95697 390.21653
6460.0000 -98.69647 -96.73799 1.95848 1.80936 -96.83755 399.95430
6465.0000 -98.21940 -96.30254 1.91686 1.82596 -96.64344 403.10184
6470.0000 -98.43258 -96.29793 2.13465 1.83573 -96.52913 398.18775
6475.0000 -98.57721 -95.80097 2.77623 1.87573 -96.06139 437.00778
6480.0000 -98.49563 -96.00824 2.48739 1.88283 -95.97834 452.17715
6485.0000 -98.14323 -96.17777 1.96547 1.86992 -96.12928 432.54077
6490.0000 -98.21879 -96.33047 1.88831 1.85925 -96.25410 424.77096
6495.0000 -98.12798 -95.46710 2.66088 1.90186 -95.75576 451.98461
6500.0000 -97.68256 -95.49659 2.18597 1.91753 -95.57249 490.09678
FREEZING PROCESS: loop number 27 T-loop= 413.00000000000000
main_MD> interactions number 27 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00302 -0.38766 -2.44894
force_rgl> df(natom) -1.79892 5.15766 -1.54546
6505.0000 -97.97776 -96.13640 1.84136 1.91819 -95.56469 473.70675
6510.0000 -98.81392 -96.61308 2.20084 1.89947 -95.78370 448.93553
6515.0000 -97.94699 -95.68547 2.26152 1.86368 -96.20229 428.55177
6520.0000 -98.41631 -96.47533 1.94097 1.86306 -96.20954 425.64289
6525.0000 -98.13169 -95.78066 2.35104 1.89682 -95.81462 456.20453
6530.0000 -98.02326 -95.67142 2.35184 1.90339 -95.73785 450.09019
6535.0000 -98.59128 -95.85814 2.73314 1.90197 -95.75448 475.86671
6540.0000 -98.94358 -96.72231 2.22127 1.83661 -96.51892 440.63857
6545.0000 -98.46323 -96.78587 1.67736 1.81531 -96.76797 399.33408
6550.0000 -98.73113 -96.73264 1.99849 1.84605 -96.40849 429.32467
6555.0000 -98.73897 -97.01958 1.71939 1.80697 -96.86557 401.92084
6560.0000 -98.99583 -96.74849 2.24734 1.80898 -96.84210 403.31646
6565.0000 -98.28128 -96.51536 1.76592 1.83901 -96.49078 444.49961
6570.0000 -98.35930 -96.28520 2.07409 1.84819 -96.38348 430.76881
6575.0000 -98.68361 -96.11123 2.57238 1.86581 -96.17738 446.78901
6580.0000 -98.21810 -95.65644 2.56166 1.90595 -95.70791 496.31950
6585.0000 -98.25985 -95.71318 2.54666 1.91190 -95.63825 481.18391
6590.0000 -98.22563 -96.15885 2.06678 1.88800 -95.91776 451.89868
6595.0000 -98.46630 -96.34219 2.12411 1.85649 -96.28638 411.32139
6600.0000 -98.21415 -96.27861 1.93554 1.85299 -96.32731 414.62763
6605.0000 -99.18366 -97.22825 1.95542 1.82400 -96.66637 398.38917
6610.0000 -98.24461 -96.54489 1.69972 1.80301 -96.91190 368.12140
6615.0000 -98.56706 -96.58578 1.98128 1.81080 -96.82076 380.17627
6620.0000 -98.72687 -96.49363 2.23324 1.82758 -96.62446 397.69622
6625.0000 -98.29677 -96.04471 2.25206 1.87350 -96.08746 448.58065
6630.0000 -98.83079 -96.78973 2.04106 1.85846 -96.26332 424.08983
6635.0000 -98.64180 -96.57677 2.06503 1.79600 -96.99380 350.24640
6640.0000 -97.69714 -95.26976 2.42738 1.90240 -95.74940 453.32556
6645.0000 -97.90654 -95.05070 2.85584 1.96437 -95.02457 506.11031
6650.0000 -98.46057 -95.79102 2.66955 1.89744 -95.80737 463.29846
6655.0000 -98.68256 -96.82582 1.85673 1.86429 -96.19510 434.96363
6660.0000 -98.75590 -96.50919 2.24671 1.84122 -96.46501 412.68635
6665.0000 -98.99740 -96.86496 2.13244 1.81360 -96.78802 387.86217
6670.0000 -98.12074 -96.32701 1.79372 1.83718 -96.51227 412.46431
6675.0000 -98.69932 -96.15485 2.54447 1.86255 -96.21545 432.41882
6680.0000 -98.39053 -96.07914 2.31139 1.88641 -95.93644 449.33078
6685.0000 -98.22079 -96.01651 2.20429 1.87464 -96.07403 445.90085
6690.0000 -98.25604 -95.74981 2.50622 1.86942 -96.13517 431.07375
6695.0000 -98.30363 -95.81320 2.49044 1.91742 -95.57376 479.96021
6700.0000 -98.41403 -96.13207 2.28196 1.89622 -95.82168 457.00834
6705.0000 -97.91602 -95.39219 2.52382 1.89506 -95.83526 453.67232
6710.0000 -97.69491 -95.41871 2.27620 1.94084 -95.29983 484.24260
6715.0000 -98.57390 -96.19515 2.37876 1.89382 -95.84977 434.90532
6720.0000 -98.24921 -96.29806 1.95115 1.84862 -96.37846 385.82120
6725.0000 -98.10717 -95.87108 2.23609 1.87048 -96.12277 412.79856
6730.0000 -97.63819 -95.30229 2.33589 1.90042 -95.77254 449.41295
6735.0000 -98.30317 -96.19952 2.10365 1.87079 -96.11905 430.97419
6740.0000 -97.66960 -94.86437 2.80523 1.88862 -95.91061 444.24227
6745.0000 -98.42436 -95.55617 2.86819 1.94561 -95.24396 504.40170
6750.0000 -98.25526 -95.83101 2.42425 1.90788 -95.68526 469.11428
FREEZING PROCESS: loop number 28 T-loop= 388.00000000000000
main_MD> interactions number 28 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74831 -0.31362 0.15500
force_rgl> df(natom) 1.86354 -0.53516 -0.55233
6755.0000 -99.26360 -96.89811 2.36549 1.82956 -96.60129 405.48233
6760.0000 -98.63987 -96.77071 1.86916 1.80948 -96.83616 390.31608
6765.0000 -99.04843 -96.64930 2.39913 1.82925 -96.60496 404.35268
6770.0000 -99.14894 -97.20520 1.94374 1.80262 -96.91642 397.99413
6775.0000 -99.05914 -97.17124 1.88791 1.77867 -97.19656 372.24061
6780.0000 -99.42012 -97.69546 1.72465 1.74750 -97.56106 341.43605
6785.0000 -99.04992 -97.23012 1.81979 1.76987 -97.29942 364.37978
6790.0000 -98.88415 -96.55766 2.32649 1.79004 -97.06355 390.25855
6795.0000 -99.18158 -96.77452 2.40707 1.84887 -96.37551 447.16048
6800.0000 -98.91367 -96.70457 2.20910 1.81829 -96.73311 373.12571
6805.0000 -99.28319 -97.09826 2.18493 1.80355 -96.90558 388.22672
6810.0000 -99.18182 -97.37454 1.80728 1.77456 -97.24464 364.26676
6815.0000 -99.62011 -97.47258 2.14753 1.74751 -97.56096 340.91953
6820.0000 -99.43608 -97.65453 1.78155 1.75683 -97.45201 353.96572
6825.0000 -99.01954 -97.39906 1.62048 1.73310 -97.72957 330.40052
6830.0000 -99.20067 -97.30195 1.89872 1.75672 -97.45327 346.86186
6835.0000 -98.58215 -96.72585 1.85630 1.78295 -97.14651 371.04165
6840.0000 -98.78269 -96.96101 1.82168 1.80261 -96.91659 388.25278
6845.0000 -99.33460 -97.12545 2.20915 1.78514 -97.12084 381.68953
6850.0000 -98.47926 -96.72983 1.74943 1.81888 -96.72627 409.90503
6855.0000 -98.94642 -97.03938 1.90704 1.80111 -96.93406 386.19273
6860.0000 -98.13896 -96.55060 1.58836 1.81277 -96.79775 362.02614
6865.0000 -99.10486 -97.00390 2.10096 1.83580 -96.52832 398.79015
6870.0000 -99.17154 -97.65490 1.51664 1.79311 -97.02769 346.04423
6875.0000 -99.42967 -97.17301 2.25665 1.76635 -97.34068 334.56789
6880.0000 -98.89448 -96.89215 2.00233 1.79040 -97.05941 355.80922
6885.0000 -98.43753 -96.42463 2.01289 1.81268 -96.79872 377.70774
6890.0000 -98.45610 -96.19915 2.25694 1.84925 -96.37099 417.74359
6895.0000 -98.70003 -96.94407 1.75596 1.83402 -96.54921 395.72222
6900.0000 -98.30887 -96.47314 1.83574 1.85301 -96.32705 426.73676
6905.0000 -98.64350 -96.24616 2.39734 1.83719 -96.51214 387.79087
6910.0000 -98.82912 -96.86615 1.96297 1.83395 -96.55005 395.86323
6915.0000 -98.71968 -96.64949 2.07019 1.79854 -96.96416 362.27018
6920.0000 -98.56406 -95.94796 2.61610 1.85018 -96.36019 418.08420
6925.0000 -98.88455 -96.36312 2.52143 1.84955 -96.36749 434.97093
6930.0000 -98.30367 -96.57275 1.73092 1.84397 -96.43283 428.68814
6935.0000 -99.23086 -96.87342 2.35744 1.84592 -96.40999 425.01704
6940.0000 -99.03719 -97.39306 1.64413 1.78103 -97.16889 369.57080
6945.0000 -99.27043 -96.98358 2.28684 1.76818 -97.31927 348.26719
6950.0000 -99.14939 -96.74156 2.40783 1.81159 -96.81147 405.07001
6955.0000 -99.10499 -97.44597 1.65902 1.77244 -97.26939 357.59732
6960.0000 -99.04927 -97.10636 1.94291 1.76061 -97.40776 340.08791
6965.0000 -99.27292 -97.25886 2.01406 1.77948 -97.18702 363.29969
6970.0000 -98.62218 -96.37845 2.24373 1.80719 -96.86294 388.16652
6975.0000 -98.59374 -96.43260 2.16113 1.84127 -96.46435 415.32859
6980.0000 -98.83141 -97.15111 1.68030 1.83160 -96.57745 424.32510
6985.0000 -98.86264 -97.14364 1.71900 1.80863 -96.84608 404.34169
6990.0000 -99.14264 -96.87871 2.26393 1.81046 -96.82470 401.28948
6995.0000 -99.03952 -96.85800 2.18153 1.82301 -96.67796 418.93513
7000.0000 -98.89897 -97.18620 1.71277 1.80963 -96.83442 383.47840
FREEZING PROCESS: loop number 29 T-loop= 363.00000000000000
main_MD> interactions number 29 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02149 0.07493 -0.92373
force_rgl> df(natom) 4.21889 0.33361 1.61648
7005.0000 -99.18985 -97.78351 1.40634 1.74696 -97.56740 337.29049
7010.0000 -98.99666 -97.50322 1.49343 1.74083 -97.63909 343.43646
7015.0000 -99.27523 -97.63825 1.63698 1.74111 -97.63580 339.80010
7020.0000 -99.27062 -97.51347 1.75715 1.72907 -97.77663 308.04639
7025.0000 -98.68628 -96.47711 2.20917 1.81199 -96.80683 405.02814
7030.0000 -99.33960 -97.33850 2.00109 1.81109 -96.81733 395.54825
7035.0000 -99.12229 -97.34307 1.77922 1.76612 -97.34331 366.70093
7040.0000 -99.47246 -97.81443 1.65803 1.75135 -97.51612 351.99632
7045.0000 -98.86667 -97.09440 1.77227 1.77298 -97.26305 368.54246
7050.0000 -99.40283 -97.92164 1.48119 1.75603 -97.46138 356.13865
7055.0000 -99.48653 -97.52740 1.95912 1.74070 -97.64071 331.08058
7060.0000 -99.12298 -97.09940 2.02358 1.74871 -97.54693 339.57812
7065.0000 -99.33772 -97.73725 1.60047 1.75758 -97.44322 350.27812
7070.0000 -99.40822 -97.07009 2.33813 1.77811 -97.20309 382.66325
7075.0000 -99.00189 -97.53511 1.46679 1.77962 -97.18540 369.60273
7080.0000 -98.85758 -97.24082 1.61676 1.74893 -97.54442 337.29929
7085.0000 -99.10670 -96.92317 2.18353 1.80443 -96.89529 414.30604
7090.0000 -99.31881 -97.41177 1.90704 1.78326 -97.14287 392.26239
7095.0000 -99.40763 -97.30612 2.10150 1.77803 -97.20409 376.28547
7100.0000 -99.33569 -97.61839 1.71731 1.74068 -97.64090 347.22603
7105.0000 -99.80019 -97.65789 2.14230 1.72258 -97.85254 330.30983
7110.0000 -99.56063 -97.81913 1.74149 1.72768 -97.79294 334.62266
7115.0000 -99.54757 -97.61922 1.92835 1.74660 -97.57168 345.51026
7120.0000 -99.31734 -97.21516 2.10218 1.76765 -97.32548 372.33909
7125.0000 -99.16368 -97.41078 1.75290 1.78168 -97.16130 395.51728
7130.0000 -99.25376 -97.05681 2.19695 1.76272 -97.38305 355.64722
7135.0000 -99.29223 -97.23631 2.05592 1.78397 -97.13457 370.84202
7140.0000 -99.47178 -97.51459 1.95719 1.77195 -97.27512 370.38667
7145.0000 -99.55517 -97.13884 2.41634 1.75066 -97.52414 357.50169
7150.0000 -99.23541 -96.84588 2.38953 1.78960 -97.06873 393.21595
7155.0000 -98.99139 -97.03133 1.96006 1.77862 -97.19714 379.39158
7160.0000 -99.35378 -97.59980 1.75398 1.77127 -97.28307 350.97061
7165.0000 -99.07087 -97.50430 1.56657 1.75363 -97.48942 348.80878
7170.0000 -99.57028 -97.77044 1.79983 1.73130 -97.75061 333.19727
7175.0000 -99.43618 -97.48278 1.95340 1.73498 -97.70759 340.48208
7180.0000 -99.29523 -97.44154 1.85369 1.73708 -97.68303 330.07825
7185.0000 -99.47278 -97.39856 2.07422 1.76709 -97.33194 369.37824
7190.0000 -99.37990 -97.44062 1.93928 1.76993 -97.29872 379.93487
7195.0000 -99.49610 -97.56309 1.93301 1.73471 -97.71067 324.28735
7200.0000 -99.24013 -96.67180 2.56834 1.77727 -97.21296 368.75244
7205.0000 -98.95109 -97.10204 1.84905 1.81412 -96.78188 403.69059
7210.0000 -99.15991 -97.14647 2.01344 1.78718 -97.09704 386.01809
7215.0000 -99.06478 -97.28726 1.77752 1.74642 -97.57380 362.02344
7220.0000 -99.63916 -97.78665 1.85251 1.75846 -97.43295 360.70221
7225.0000 -99.24051 -97.69798 1.54253 1.71552 -97.93512 322.17433
7230.0000 -99.38553 -97.59756 1.78797 1.74442 -97.59718 343.00304
7235.0000 -99.56957 -97.68932 1.88024 1.77179 -97.27700 361.73435
7240.0000 -99.70279 -97.86804 1.83476 1.73643 -97.69058 335.45625
7245.0000 -99.58505 -98.11597 1.46908 1.71325 -97.96173 317.63567
7250.0000 -99.33008 -97.81683 1.51325 1.70356 -98.07500 314.42204
FREEZING PROCESS: loop number 30 T-loop= 338.00000000000000
main_MD> interactions number 30 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.04058 -0.67679 -0.33859
force_rgl> df(natom) 1.14236 1.36728 0.66072
7255.0000 -99.52773 -97.93162 1.59611 1.75000 -97.53191 353.15531
7260.0000 -99.24718 -97.64233 1.60485 1.71997 -97.88305 321.52037
7265.0000 -99.87326 -97.92178 1.95148 1.73615 -97.69384 344.07554
7270.0000 -99.35706 -97.77371 1.58335 1.73511 -97.70598 336.28787
7275.0000 -99.45073 -97.41651 2.03422 1.75196 -97.50893 347.61428
7280.0000 -99.67848 -97.71373 1.96475 1.74885 -97.54537 355.01028
7285.0000 -98.78380 -96.74318 2.04062 1.77470 -97.24299 367.20872
7290.0000 -99.21303 -97.25420 1.95883 1.82307 -96.67729 403.65020
7295.0000 -99.10719 -97.11547 1.99172 1.78361 -97.13883 370.18819
7300.0000 -99.53670 -97.50790 2.02880 1.78444 -97.12904 383.94428
7305.0000 -99.10633 -97.68550 1.42083 1.74338 -97.60930 326.91443
7310.0000 -99.06801 -97.27565 1.79236 1.75643 -97.45670 343.15816
7315.0000 -99.03453 -97.05202 1.98251 1.78959 -97.06880 392.95105
7320.0000 -98.92610 -97.15316 1.77294 1.77498 -97.23971 378.83603
7325.0000 -99.26771 -97.88375 1.38397 1.75224 -97.50569 356.48934
7330.0000 -99.39036 -97.75464 1.63572 1.73662 -97.68840 341.40339
7335.0000 -98.70523 -96.90710 1.79813 1.76027 -97.41175 354.35132
7340.0000 -99.23057 -97.46836 1.76221 1.78844 -97.08231 391.75486
7345.0000 -99.31484 -97.66510 1.64973 1.76814 -97.31970 360.05585
7350.0000 -99.05272 -97.01260 2.04012 1.74875 -97.54652 348.84821
7355.0000 -98.99733 -97.27451 1.72282 1.77381 -97.25338 375.79237
7360.0000 -98.97995 -97.13706 1.84289 1.77684 -97.21792 376.64370
7365.0000 -99.44374 -97.23495 2.20879 1.77167 -97.27839 365.09632
7370.0000 -99.12557 -97.47984 1.64573 1.76124 -97.40036 352.93896
7375.0000 -98.59661 -96.99139 1.60522 1.78804 -97.08699 374.29635
7380.0000 -99.29582 -97.23720 2.05862 1.78876 -97.07852 362.07276
7385.0000 -99.20087 -97.74737 1.45350 1.75723 -97.44733 343.56179
7390.0000 -99.00738 -97.15549 1.85189 1.76004 -97.41446 359.56254
7395.0000 -99.44212 -97.84666 1.59547 1.74381 -97.60430 340.09142
7400.0000 -99.63804 -98.10050 1.53754 1.71751 -97.91185 310.65163
7405.0000 -99.78532 -97.86157 1.92376 1.71851 -97.90015 311.93731
7410.0000 -99.23777 -97.20171 2.03606 1.73487 -97.70885 331.31706
7415.0000 -99.71818 -97.67403 2.04415 1.74005 -97.64830 327.52256
7420.0000 -99.64912 -97.69519 1.95394 1.71861 -97.89901 313.26222
7425.0000 -99.13113 -97.39514 1.73599 1.75159 -97.51323 332.81568
7430.0000 -99.17213 -97.24400 1.92813 1.78951 -97.06978 376.57406
7435.0000 -98.75188 -97.20922 1.54267 1.76471 -97.35978 361.81334
7440.0000 -99.78830 -97.89968 1.88862 1.74942 -97.53861 348.25113
7445.0000 -99.55102 -97.68513 1.86589 1.72472 -97.82758 328.53527
7450.0000 -99.29661 -97.26390 2.03271 1.74555 -97.58394 352.88040
7455.0000 -99.57849 -98.17545 1.40305 1.73576 -97.69847 338.01111
7460.0000 -98.99741 -97.40268 1.59473 1.73902 -97.66032 329.37072
7465.0000 -99.40124 -97.70305 1.69819 1.74635 -97.57456 352.44911
7470.0000 -99.73392 -98.09426 1.63966 1.72358 -97.84086 324.14523
7475.0000 -99.47086 -97.82783 1.64303 1.71737 -97.91348 316.24225
7480.0000 -99.60677 -97.80453 1.80224 1.73590 -97.69683 335.51010
7485.0000 -99.49876 -97.81725 1.68152 1.73714 -97.68229 332.80808
7490.0000 -99.22365 -97.26678 1.95687 1.75853 -97.43215 371.57289
7495.0000 -99.40970 -97.54664 1.86306 1.76300 -97.37980 371.03598
7500.0000 -99.50019 -97.90127 1.59892 1.74278 -97.61636 346.43578
FREEZING PROCESS: loop number 31 T-loop= 313.00000000000000
main_MD> interactions number 31 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30845 -0.22915 -1.29329
force_rgl> df(natom) -2.29627 2.41788 1.47444
7505.0000 -99.56107 -97.93907 1.62200 1.71939 -97.88993 320.86579
7510.0000 -99.89951 -98.37129 1.52822 1.70155 -98.09860 298.53037
7515.0000 -99.48738 -97.98165 1.50572 1.71500 -97.94125 318.46466
7520.0000 -99.69207 -98.10707 1.58500 1.72409 -97.83493 325.39029
7525.0000 -99.59134 -98.20157 1.38976 1.70562 -98.05093 305.13686
7530.0000 -99.72084 -98.09213 1.62871 1.71573 -97.93271 317.13958
7535.0000 -99.59229 -97.87180 1.72049 1.71521 -97.93882 322.72318
7540.0000 -99.84844 -98.13917 1.70927 1.74409 -97.60096 351.52490
7545.0000 -99.70466 -98.21841 1.48625 1.69324 -98.19570 287.80037
7550.0000 -99.56611 -98.05482 1.51129 1.71120 -97.98573 301.47775
7555.0000 -99.78789 -98.13738 1.65051 1.71298 -97.96489 314.37424
7560.0000 -99.45280 -97.83270 1.62010 1.72049 -97.87697 321.59231
7565.0000 -99.42416 -97.68680 1.73736 1.72293 -97.84848 324.03976
7570.0000 -99.36753 -97.88332 1.48421 1.71662 -97.92223 310.51621
7575.0000 -99.67761 -97.95371 1.72390 1.71874 -97.89753 314.30189
7580.0000 -99.63670 -98.20429 1.43241 1.73219 -97.74019 326.27748
7585.0000 -99.37173 -97.85430 1.51744 1.70436 -98.06573 280.80818
7590.0000 -99.37299 -97.79693 1.57606 1.72566 -97.81652 305.02911
7595.0000 -99.38565 -97.64008 1.74557 1.72534 -97.82033 303.24914
7600.0000 -99.72364 -98.13275 1.59088 1.73810 -97.67102 311.89731
7605.0000 -99.89859 -97.90625 1.99234 1.70609 -98.04540 292.86076
7610.0000 -99.44224 -97.89750 1.54474 1.70645 -98.04126 300.54397
7615.0000 -99.85993 -98.16221 1.69772 1.70627 -98.04338 307.23746
7620.0000 -99.83440 -98.14791 1.68648 1.70140 -98.10033 304.31004
7625.0000 -99.56527 -97.93281 1.63246 1.72162 -97.86378 330.71006
7630.0000 -99.53619 -97.72658 1.80961 1.74911 -97.54231 358.58267
7635.0000 -99.45206 -97.68801 1.76406 1.73597 -97.69600 342.30071
7640.0000 -99.25439 -97.48914 1.76524 1.76005 -97.41436 360.20212
7645.0000 -99.89195 -98.28732 1.60464 1.73975 -97.65179 338.60934
7650.0000 -99.53166 -97.95647 1.57519 1.69269 -98.20221 297.99269
7655.0000 -99.64846 -98.10528 1.54319 1.70126 -98.10191 303.25745
7660.0000 -99.58580 -98.23299 1.35281 1.69899 -98.12847 302.04500
7665.0000 -99.66506 -98.28311 1.38195 1.68442 -98.29891 282.47434
7670.0000 -99.46585 -98.00859 1.45726 1.70199 -98.09340 302.63714
7675.0000 -99.66613 -98.08994 1.57619 1.71164 -97.98054 313.34230
7680.0000 -99.44063 -97.68214 1.75849 1.73264 -97.73493 336.45346
7685.0000 -99.80942 -98.24132 1.56809 1.71788 -97.90755 317.28791
7690.0000 -99.04198 -97.77812 1.26386 1.71385 -97.95468 310.52321
7695.0000 -99.36021 -97.49450 1.86571 1.72839 -97.78465 320.55483
7700.0000 -99.43175 -97.79812 1.63364 1.71906 -97.89376 313.35337
7705.0000 -99.83128 -98.10769 1.72359 1.68992 -98.23457 293.01126
7710.0000 -99.46409 -97.88681 1.57727 1.70231 -98.08969 305.17756
7715.0000 -99.51350 -97.85426 1.65924 1.72909 -97.77648 333.56117
7720.0000 -99.52210 -98.31577 1.20633 1.70156 -98.09842 303.80006
7725.0000 -100.12068 -98.48864 1.63204 1.64605 -98.74773 242.94397
7730.0000 -99.67797 -98.13886 1.53911 1.69937 -98.12408 299.61647
7735.0000 -99.70853 -98.39457 1.31397 1.67333 -98.42857 272.39440
7740.0000 -99.62564 -98.33168 1.29396 1.69048 -98.22802 283.10217
7745.0000 -99.58630 -97.64000 1.94630 1.70098 -98.10527 293.44259
7750.0000 -99.41124 -97.68435 1.72689 1.72393 -97.83679 324.42018
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 54.2533067 [s].
main_MD> Deallocating global variables
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