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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_32/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_32.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 32 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 32 3200
main_MD> Size of nv and nvoiz: 32 3200
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 32
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.12334793215291739 -0.10159881338662302 -0.24644494056047250 initial drift of cluster / NP1 for coalescence
init> 0.41519114799407253 0.31686369942169162 0.24759053498874065 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5657457194071835E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89575 -0.73633 2.62220
force_rgl> df(natom) -2.16486 -0.61253 -1.29628
preparo> THERMALIZATION PROCESS AT 1105.8874673716373
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -67.722840228850430 4.9733257525313856 -72.696165981381810 5.8681517269585899E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1078.0000000000000
main_MD> interactions number 1 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83870 -1.83621 -0.49371
force_rgl> df(natom) 1.55824 0.12957 -0.92225
5.0000 -73.28920 -68.94083 4.34837 2.58311 -68.36392 1082.50697
10.0000 -72.62695 -67.44226 5.18469 2.65346 -67.65483 1207.37069
15.0000 -71.53158 -67.45214 4.07944 2.67224 -67.46551 1121.93694
20.0000 -71.73386 -67.70059 4.03326 2.70327 -67.15274 1221.31165
25.0000 -73.24574 -68.09774 5.14800 2.64117 -67.77863 1195.16872
30.0000 -72.84515 -68.37037 4.47478 2.55200 -68.67741 1084.95386
35.0000 -73.33891 -67.70048 5.63843 2.61637 -68.02869 1172.14541
40.0000 -73.41331 -68.41492 4.99838 2.58697 -68.32501 1135.25829
45.0000 -71.23885 -67.04132 4.19753 2.63866 -67.80398 1132.15333
50.0000 -71.69693 -66.73010 4.96684 2.72704 -66.91316 1279.32899
55.0000 -72.68680 -66.89778 5.78902 2.74166 -66.76579 1284.24918
60.0000 -72.87413 -67.79874 5.07539 2.71318 -67.05288 1271.64045
65.0000 -73.49949 -69.39056 4.10893 2.53955 -68.80290 1078.55030
70.0000 -72.16553 -67.21558 4.94995 2.55949 -68.60197 1111.20939
75.0000 -73.21117 -68.62115 4.59002 2.61654 -68.02688 1184.10896
80.0000 -72.29645 -68.48947 3.80698 2.61936 -67.99852 1156.78730
85.0000 -71.34198 -67.32010 4.02188 2.60699 -68.12323 1110.83457
90.0000 -72.67810 -68.44071 4.23739 2.68705 -67.31626 1120.52507
95.0000 -73.65986 -69.39646 4.26340 2.48840 -69.31847 1070.61622
100.0000 -73.37630 -68.88221 4.49409 2.52378 -68.96187 1042.78892
105.0000 -74.59393 -70.52030 4.07363 2.48402 -69.36264 1028.48547
110.0000 -74.72770 -71.19325 3.53445 2.28482 -71.37045 852.31737
115.0000 -74.64736 -70.61697 4.03040 2.26201 -71.60034 900.70253
120.0000 -73.99181 -69.82591 4.16590 2.36039 -70.60879 972.95063
125.0000 -73.63345 -69.78935 3.84410 2.45710 -69.63402 991.45171
130.0000 -74.18373 -69.89591 4.28782 2.48318 -69.37109 1058.28149
135.0000 -74.33686 -70.84264 3.49421 2.42996 -69.90758 975.77030
140.0000 -72.74937 -67.87861 4.87076 2.48264 -69.37656 1046.20002
145.0000 -73.14787 -67.79596 5.35191 2.57797 -68.41566 1107.10850
150.0000 -71.94423 -67.60929 4.33494 2.59827 -68.21107 1134.85551
155.0000 -71.34693 -67.97837 3.36855 2.61738 -68.01846 1122.28133
160.0000 -72.80012 -68.41388 4.38624 2.63259 -67.86519 1119.33179
165.0000 -73.40722 -68.74837 4.65885 2.55420 -68.65527 1083.61645
170.0000 -72.32888 -69.13395 3.19493 2.54377 -68.76040 1052.08325
175.0000 -73.78447 -68.91714 4.86733 2.49729 -69.22893 1059.16848
180.0000 -73.39777 -68.17588 5.22188 2.61088 -68.08396 1148.20478
185.0000 -74.25146 -69.26613 4.98534 2.52207 -68.97916 1083.45446
190.0000 -73.32436 -68.33316 4.99120 2.46788 -69.52531 994.76785
195.0000 -72.14794 -66.24094 5.90700 2.71220 -67.06271 1189.04590
200.0000 -71.11467 -64.57104 6.54363 2.87137 -65.45842 1352.39337
205.0000 -73.05727 -68.15511 4.90216 2.73345 -66.84857 1258.28526
210.0000 -73.01546 -68.08420 4.93125 2.59668 -68.22713 1155.75507
215.0000 -72.40352 -67.29797 5.10554 2.64436 -67.74655 1167.59358
220.0000 -73.07036 -68.82147 4.24890 2.57996 -68.39560 1115.27209
225.0000 -72.74468 -67.04862 5.69607 2.64362 -67.75401 1188.26520
230.0000 -73.34599 -67.33364 6.01235 2.75168 -66.66476 1267.21415
235.0000 -73.32307 -68.58767 4.73540 2.68909 -67.29571 1247.57467
240.0000 -73.92966 -69.78986 4.13979 2.51330 -69.06752 1024.59734
245.0000 -73.87622 -69.54495 4.33127 2.49145 -69.28777 1030.70591
250.0000 -71.69204 -67.93192 3.76012 2.60603 -68.13287 1114.04046
FREEZING PROCESS: loop number 2 T-loop= 1053.0000000000000
main_MD> interactions number 2 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28225 0.16372 -2.18827
force_rgl> df(natom) 0.19226 2.90131 -0.24342
255.0000 -73.10227 -69.71626 3.38601 2.49766 -69.22514 1079.06353
260.0000 -73.43169 -69.91767 3.51403 2.39869 -70.22271 914.82248
265.0000 -73.96257 -69.36654 4.59604 2.46215 -69.58308 1034.29838
270.0000 -73.90457 -68.31744 5.58713 2.49931 -69.20851 1026.95598
275.0000 -73.96461 -69.40722 4.55739 2.52792 -68.92014 1059.99686
280.0000 -73.08849 -68.27836 4.81014 2.54268 -68.77138 1070.98779
285.0000 -72.66264 -68.35848 4.30416 2.58009 -68.39434 1120.18068
290.0000 -73.24696 -68.35203 4.89493 2.56101 -68.58662 1119.59614
295.0000 -72.52963 -67.28321 5.24642 2.70724 -67.11277 1242.50446
300.0000 -74.25014 -68.96940 5.28074 2.63797 -67.81090 1140.12224
305.0000 -74.77722 -70.11037 4.66685 2.44511 -69.75484 980.29098
310.0000 -74.21454 -69.89664 4.31790 2.43341 -69.87280 1054.33140
315.0000 -71.92405 -67.79587 4.12818 2.58665 -68.32823 1154.71321
320.0000 -73.77033 -67.81129 5.95904 2.65380 -67.65136 1179.09834
325.0000 -74.14877 -69.63215 4.51662 2.49449 -69.25707 1060.35410
330.0000 -73.16188 -68.50702 4.65486 2.53122 -68.88691 1084.76434
335.0000 -72.35546 -67.98013 4.37533 2.59331 -68.26103 1118.26689
340.0000 -73.81287 -69.18366 4.62921 2.51394 -69.06105 1045.57105
345.0000 -71.70083 -66.77540 4.92543 2.58063 -68.38886 1093.83731
350.0000 -73.07763 -67.49066 5.58698 2.68672 -67.31956 1184.37246
355.0000 -72.05211 -66.88358 5.16854 2.71430 -67.04159 1234.06515
360.0000 -73.07891 -67.47593 5.60298 2.69368 -67.24936 1202.17588
365.0000 -73.23861 -67.56608 5.67253 2.54249 -68.77327 1085.10740
370.0000 -73.75443 -69.80285 3.95159 2.47123 -69.49161 993.22170
375.0000 -73.95423 -70.69512 3.25910 2.42687 -69.93873 984.28901
380.0000 -74.09299 -70.18578 3.90721 2.36555 -70.55676 900.00307
385.0000 -74.65309 -70.13451 4.51857 2.38317 -70.37912 911.76772
390.0000 -73.03728 -68.83352 4.20376 2.50181 -69.18338 1049.94262
395.0000 -72.90696 -68.90743 3.99953 2.49690 -69.23284 1079.16017
400.0000 -73.85290 -69.92757 3.92533 2.50112 -69.19032 1018.82968
405.0000 -73.90008 -69.64363 4.25645 2.37110 -70.50078 892.56135
410.0000 -72.90336 -68.01926 4.88410 2.45162 -69.68919 1054.25948
415.0000 -73.12297 -68.22709 4.89587 2.59005 -68.29391 1154.67098
420.0000 -73.79118 -68.96340 4.82778 2.55551 -68.64208 1150.39871
425.0000 -73.58219 -69.17365 4.40853 2.52152 -68.98464 980.54141
430.0000 -71.66250 -67.36497 4.29753 2.53248 -68.87423 1046.72490
435.0000 -72.92319 -68.03153 4.89167 2.65009 -67.68874 1151.86146
440.0000 -71.76071 -67.40202 4.35869 2.62502 -67.94147 1139.68649
445.0000 -71.33612 -67.09447 4.24165 2.67910 -67.39636 1192.40468
450.0000 -72.68364 -67.85857 4.82507 2.67532 -67.43444 1210.11453
455.0000 -73.65978 -69.50688 4.15290 2.56182 -68.57849 1104.79560
460.0000 -73.70849 -69.86650 3.84199 2.51516 -69.04881 1062.63186
465.0000 -73.58528 -69.59854 3.98674 2.45922 -69.61258 1002.38965
470.0000 -73.53297 -69.03878 4.49419 2.50711 -69.12995 1026.41160
475.0000 -73.36033 -68.60514 4.75519 2.53567 -68.84204 1050.34412
480.0000 -73.38356 -68.50233 4.88123 2.53760 -68.82259 1042.64254
485.0000 -74.29701 -68.54668 5.75033 2.54388 -68.75927 1079.71116
490.0000 -72.67911 -68.52373 4.15539 2.51553 -69.04501 1093.34032
495.0000 -72.76156 -68.68141 4.08015 2.57292 -68.46656 1051.90687
500.0000 -73.25932 -68.25763 5.00169 2.53926 -68.80590 1051.37298
FREEZING PROCESS: loop number 3 T-loop= 1028.0000000000000
main_MD> interactions number 3 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.76498 -0.79579 0.81873
force_rgl> df(natom) -1.14306 -4.41148 -0.34559
505.0000 -73.22128 -68.50707 4.71422 2.58569 -68.33788 1084.65542
510.0000 -73.36229 -69.04681 4.31549 2.55285 -68.66893 1060.18102
515.0000 -72.84134 -68.45602 4.38532 2.54787 -68.71906 1120.25969
520.0000 -72.14598 -68.21075 3.93523 2.60303 -68.16310 1134.26948
525.0000 -72.42184 -67.04193 5.37991 2.66153 -67.57342 1178.60717
530.0000 -73.71734 -68.20928 5.50807 2.58335 -68.36151 1111.73136
535.0000 -74.23720 -69.87235 4.36485 2.58456 -68.34927 1095.65731
540.0000 -73.59250 -69.61644 3.97606 2.48159 -69.38716 1044.10257
545.0000 -74.46493 -69.87961 4.58532 2.45025 -69.70301 943.33568
550.0000 -74.42208 -71.04779 3.37429 2.38058 -70.40528 931.88965
555.0000 -72.91625 -68.72257 4.19368 2.45601 -69.64497 1009.35645
560.0000 -74.03174 -70.14586 3.88587 2.45614 -69.64366 977.74538
565.0000 -72.82239 -69.07511 3.74728 2.51598 -69.04056 1057.80985
570.0000 -72.82696 -68.97280 3.85417 2.46421 -69.56234 1022.85944
575.0000 -73.51302 -69.32923 4.18379 2.49887 -69.21300 1024.70843
580.0000 -73.70123 -68.83702 4.86421 2.52714 -68.92806 1015.32985
585.0000 -72.12831 -67.33070 4.79761 2.59026 -68.29180 1126.91807
590.0000 -74.16891 -68.32696 5.84195 2.58271 -68.36794 1093.79148
595.0000 -73.66126 -69.44133 4.21993 2.46834 -69.52074 1017.86781
600.0000 -72.26622 -68.08716 4.17906 2.52682 -68.93128 1071.40801
605.0000 -72.61983 -67.94012 4.67971 2.56415 -68.55503 1080.34974
610.0000 -73.92409 -69.38385 4.54024 2.57631 -68.43240 1078.44107
615.0000 -74.95698 -70.68269 4.27430 2.37414 -70.47021 938.61943
620.0000 -72.84769 -69.67382 3.17387 2.37820 -70.42927 930.15037
625.0000 -74.07383 -69.66000 4.41384 2.46179 -69.58674 997.50278
630.0000 -74.46598 -69.40911 5.05687 2.46368 -69.56764 995.12389
635.0000 -73.25970 -68.54850 4.71120 2.50980 -69.10282 1025.56172
640.0000 -73.33870 -69.65031 3.68839 2.50011 -69.20050 979.73445
645.0000 -73.53083 -69.22306 4.30777 2.45632 -69.64182 1028.46857
650.0000 -73.33042 -68.94294 4.38748 2.49414 -69.26068 1038.79510
655.0000 -72.29765 -67.06196 5.23569 2.63838 -67.80681 1123.62640
660.0000 -72.50540 -66.64958 5.85582 2.73993 -66.78324 1261.61726
665.0000 -73.43703 -68.85940 4.57764 2.59837 -68.21007 1100.86102
670.0000 -72.98108 -68.95795 4.02313 2.50972 -69.10364 1033.76862
675.0000 -74.39267 -70.41595 3.97671 2.45816 -69.62330 1019.25888
680.0000 -74.59117 -71.06781 3.52336 2.39060 -70.30428 951.16427
685.0000 -74.08522 -70.28635 3.79887 2.33617 -70.85291 875.71110
690.0000 -72.96961 -68.13401 4.83560 2.49548 -69.24709 1058.25865
695.0000 -73.03747 -68.46343 4.57403 2.58204 -68.37472 1107.81124
700.0000 -72.74742 -67.46647 5.28094 2.61677 -68.02461 1126.09729
705.0000 -72.66411 -67.88738 4.77673 2.60306 -68.16275 1103.06562
710.0000 -73.27869 -68.29695 4.98174 2.57635 -68.43199 1150.47414
715.0000 -73.56815 -68.94327 4.62488 2.58655 -68.32922 1159.74134
720.0000 -74.02993 -68.91737 5.11256 2.61063 -68.08646 1170.84064
725.0000 -74.28184 -70.71696 3.56488 2.38658 -70.34478 924.14499
730.0000 -74.81607 -69.59931 5.21676 2.42248 -69.98298 958.71375
735.0000 -74.53452 -70.21114 4.32338 2.41422 -70.06617 994.05915
740.0000 -74.72535 -69.85881 4.86654 2.35779 -70.63500 921.01536
745.0000 -73.90970 -69.12910 4.78060 2.43002 -69.90690 980.15297
750.0000 -74.03585 -70.60062 3.43523 2.46488 -69.55557 987.16934
FREEZING PROCESS: loop number 4 T-loop= 1003.0000000000000
main_MD> interactions number 4 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33730 3.48889 -1.35137
force_rgl> df(natom) 0.63929 -1.67797 -1.24793
755.0000 -73.07173 -68.28190 4.78982 2.52702 -68.92926 1071.98617
760.0000 -72.37245 -68.54510 3.82734 2.59247 -68.26956 1116.69633
765.0000 -73.04503 -68.08374 4.96129 2.60938 -68.09906 1100.62887
770.0000 -72.95955 -68.64799 4.31156 2.53725 -68.82617 1083.78932
775.0000 -74.47082 -70.29319 4.17763 2.46829 -69.52124 1023.38741
780.0000 -74.67114 -70.66032 4.01081 2.40917 -70.11713 1001.24854
785.0000 -74.28284 -69.99586 4.28697 2.43581 -69.84856 979.43352
790.0000 -73.33499 -70.08992 3.24506 2.37586 -70.45282 921.46055
795.0000 -73.86168 -68.76911 5.09257 2.46573 -69.54695 961.85259
800.0000 -73.84803 -69.18721 4.66082 2.50082 -69.19329 1026.75410
805.0000 -73.10082 -68.03047 5.07035 2.60426 -68.15071 1122.13673
810.0000 -73.58281 -69.81205 3.77075 2.54689 -68.72896 1013.21166
815.0000 -74.33965 -70.61729 3.72235 2.45264 -69.67893 1014.17439
820.0000 -74.31680 -69.64755 4.66926 2.37975 -70.41362 916.85073
825.0000 -73.65571 -70.13486 3.52085 2.44080 -69.79826 930.91515
830.0000 -73.83113 -69.98115 3.84999 2.43937 -69.81266 968.77626
835.0000 -73.19664 -69.66409 3.53255 2.44193 -69.78687 986.71992
840.0000 -73.83110 -70.39108 3.44002 2.48958 -69.30658 1030.19231
845.0000 -72.87886 -69.31934 3.55952 2.48047 -69.39839 1031.06506
850.0000 -73.40821 -69.56924 3.83897 2.49417 -69.26036 1053.85498
855.0000 -74.33425 -69.17795 5.15630 2.49436 -69.25839 1039.95145
860.0000 -73.12938 -68.11234 5.01704 2.54759 -68.72194 1103.60280
865.0000 -72.26096 -67.94239 4.31856 2.62771 -67.91431 1071.90753
870.0000 -72.23975 -67.67169 4.56806 2.65554 -67.63386 1102.35035
875.0000 -72.54687 -68.21798 4.32889 2.60040 -68.18960 1125.39453
880.0000 -74.60434 -69.81679 4.78755 2.47886 -69.41466 1033.98803
885.0000 -73.97267 -69.61321 4.35947 2.44204 -69.78582 975.04540
890.0000 -72.79097 -68.73140 4.05957 2.48718 -69.33077 1062.60726
895.0000 -74.19781 -69.06615 5.13166 2.57339 -68.46189 1112.34985
900.0000 -73.44331 -70.51067 2.93264 2.42956 -69.91158 974.12765
905.0000 -72.97764 -68.72048 4.25716 2.39391 -70.27092 935.58526
910.0000 -72.87366 -68.06651 4.80714 2.60609 -68.13223 1103.64561
915.0000 -73.17052 -69.05828 4.11224 2.58137 -68.38141 1109.15191
920.0000 -71.92709 -67.86459 4.06250 2.57635 -68.43206 1057.37631
925.0000 -72.87323 -68.32605 4.54718 2.58862 -68.30838 1076.74827
930.0000 -74.23296 -69.64851 4.58445 2.52768 -68.92260 1016.81756
935.0000 -73.50040 -69.91411 3.58630 2.42972 -69.90996 977.72197
940.0000 -73.41910 -68.91620 4.50290 2.51753 -69.02490 1045.54880
945.0000 -73.53383 -69.25150 4.28233 2.50889 -69.11197 1041.59867
950.0000 -72.72740 -68.94194 3.78546 2.50495 -69.15167 1021.24014
955.0000 -73.66492 -68.71515 4.94977 2.54982 -68.69946 1052.17388
960.0000 -72.47992 -66.79709 5.68283 2.61976 -67.99449 1180.80384
965.0000 -72.19995 -67.89009 4.30986 2.67706 -67.41691 1163.02809
970.0000 -73.48607 -68.88308 4.60300 2.56039 -68.59289 1017.46502
975.0000 -73.75240 -69.53198 4.22043 2.51347 -69.06585 1051.61438
980.0000 -73.69664 -69.59422 4.10242 2.40602 -70.14885 937.70675
985.0000 -74.50889 -69.68723 4.82166 2.42820 -69.92526 944.21415
990.0000 -72.76102 -68.36527 4.39575 2.53418 -68.85711 1100.88956
995.0000 -73.36569 -68.52738 4.83830 2.57487 -68.44696 1080.51975
1000.0000 -71.72666 -67.03676 4.68990 2.62721 -67.91934 1166.64941
FREEZING PROCESS: loop number 5 T-loop= 978.00000000000000
main_MD> interactions number 5 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58842 0.89572 0.94879
force_rgl> df(natom) -0.41358 2.40948 -2.58821
1005.0000 -73.80287 -68.65298 5.14989 2.58506 -68.34425 1141.65667
1010.0000 -75.73649 -70.86240 4.87408 2.47774 -69.42598 1000.07610
1015.0000 -74.39870 -70.07910 4.31960 2.35560 -70.65704 931.27184
1020.0000 -73.69956 -69.28251 4.41705 2.42165 -69.99133 951.47191
1025.0000 -74.34583 -69.97960 4.36623 2.45482 -69.65699 1009.27751
1030.0000 -72.85305 -68.75164 4.10140 2.49719 -69.22992 1030.48892
1035.0000 -74.89904 -69.92459 4.97446 2.50085 -69.19298 982.32514
1040.0000 -73.26864 -69.45409 3.81456 2.46447 -69.55971 953.83694
1045.0000 -72.68585 -67.91352 4.77233 2.59263 -68.26793 1115.84083
1050.0000 -71.40996 -68.14622 3.26374 2.59368 -68.25733 1091.45984
1055.0000 -74.43929 -69.54967 4.88962 2.56423 -68.55415 1090.12815
1060.0000 -74.71611 -69.72325 4.99286 2.47849 -69.41841 1034.48007
1065.0000 -74.24393 -69.46200 4.78194 2.45400 -69.66527 995.85817
1070.0000 -73.82769 -70.60171 3.22598 2.43227 -69.88422 968.97697
1075.0000 -75.09349 -70.59190 4.50159 2.41474 -70.06097 1038.25059
1080.0000 -75.00256 -70.55467 4.44789 2.31420 -71.07432 880.34396
1085.0000 -74.21383 -69.96522 4.24862 2.39858 -70.22386 920.15164
1090.0000 -73.44524 -69.16870 4.27654 2.48010 -69.40215 991.45635
1095.0000 -75.09068 -71.42478 3.66590 2.36651 -70.54706 866.74807
1100.0000 -75.12898 -71.43878 3.69019 2.32332 -70.98236 900.94098
1105.0000 -73.63703 -70.01114 3.62590 2.32594 -70.95603 886.81563
1110.0000 -73.49903 -69.20461 4.29441 2.47433 -69.46034 1042.08510
1115.0000 -73.86255 -70.12679 3.73577 2.42423 -69.96534 1003.82444
1120.0000 -73.98677 -69.57280 4.41397 2.44408 -69.76517 1007.96255
1125.0000 -74.32599 -70.24058 4.08541 2.47049 -69.49906 1003.16564
1130.0000 -73.02093 -69.28273 3.73820 2.34405 -70.77341 902.02402
1135.0000 -74.30795 -69.83996 4.46799 2.48723 -69.33029 1017.10453
1140.0000 -74.59666 -71.64803 2.94864 2.38218 -70.38909 928.99842
1145.0000 -74.54323 -69.80399 4.73924 2.33129 -70.90205 868.31274
1150.0000 -73.87761 -70.49867 3.37894 2.40899 -70.11885 983.70857
1155.0000 -74.65858 -71.49022 3.16836 2.26571 -71.56302 839.12772
1160.0000 -74.19421 -70.81565 3.37856 2.31425 -71.07386 856.59721
1165.0000 -73.15455 -68.76806 4.38648 2.38837 -70.32677 918.51522
1170.0000 -72.32894 -68.25084 4.07811 2.55283 -68.66909 1029.47478
1175.0000 -72.99986 -68.40289 4.59697 2.54210 -68.77724 1054.40005
1180.0000 -72.29891 -68.06618 4.23273 2.62671 -67.92446 1125.22211
1185.0000 -74.57056 -69.61112 4.95944 2.47675 -69.43592 993.54118
1190.0000 -74.40682 -69.76218 4.64464 2.42208 -69.98701 1002.62516
1195.0000 -73.71179 -69.46047 4.25131 2.38574 -70.35324 951.08305
1200.0000 -74.38942 -69.90606 4.48337 2.52190 -68.98080 1062.94967
1205.0000 -73.33556 -69.24928 4.08628 2.46097 -69.59499 1012.39565
1210.0000 -72.40843 -67.53560 4.87284 2.60350 -68.15838 1098.28110
1215.0000 -74.59676 -70.10617 4.49059 2.53824 -68.81613 1122.51390
1220.0000 -74.83055 -70.13477 4.69578 2.36227 -70.58983 920.58542
1225.0000 -73.23641 -69.46229 3.77413 2.45256 -69.67970 1009.70635
1230.0000 -73.77887 -69.76687 4.01201 2.45013 -69.70421 959.68875
1235.0000 -74.59827 -71.37558 3.22269 2.33469 -70.86780 900.76914
1240.0000 -73.94085 -69.45630 4.48455 2.35257 -70.68762 939.32370
1245.0000 -74.86243 -70.22699 4.63544 2.41250 -70.08356 1014.35038
1250.0000 -75.25628 -71.47360 3.78268 2.28699 -71.34861 838.66867
FREEZING PROCESS: loop number 6 T-loop= 953.00000000000000
main_MD> interactions number 6 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00798 -0.89354 -1.12770
force_rgl> df(natom) 2.02030 0.78307 2.85426
1255.0000 -75.00127 -71.50990 3.49137 2.21943 -72.02952 773.53762
1260.0000 -74.58557 -70.69287 3.89270 2.31832 -71.03278 871.71063
1265.0000 -74.57712 -69.79868 4.77844 2.38408 -70.36994 932.38507
1270.0000 -73.83519 -69.84509 3.99011 2.40956 -70.11319 946.86853
1275.0000 -73.00604 -68.94059 4.06545 2.56832 -68.51295 1120.65473
1280.0000 -73.06855 -67.94221 5.12634 2.66312 -67.55747 1209.29846
1285.0000 -73.42790 -70.05304 3.37486 2.53688 -68.82988 1105.63871
1290.0000 -74.21087 -69.91668 4.29419 2.43251 -69.88183 922.95792
1295.0000 -73.15346 -70.15558 2.99788 2.35529 -70.66017 924.07486
1300.0000 -73.30411 -68.55498 4.74912 2.47209 -69.48291 972.26882
1305.0000 -73.47513 -69.66155 3.81358 2.56089 -68.58782 1061.48955
1310.0000 -72.56287 -69.53149 3.03138 2.48733 -69.32932 1002.47147
1315.0000 -74.52779 -70.03503 4.49276 2.42983 -69.90889 957.38464
1320.0000 -74.08843 -69.45158 4.63686 2.42777 -69.92959 985.81578
1325.0000 -72.73565 -69.65851 3.07715 2.42285 -69.97925 910.22826
1330.0000 -74.65488 -71.59132 3.06356 2.36994 -70.51249 905.16971
1335.0000 -74.29908 -71.27818 3.02090 2.26748 -71.54525 822.26960
1340.0000 -73.90983 -70.80916 3.10067 2.28933 -71.32497 828.96575
1345.0000 -73.89809 -70.36148 3.53661 2.40263 -70.18297 906.62349
1350.0000 -74.42974 -70.87565 3.55408 2.36977 -70.51420 893.58792
1355.0000 -74.24273 -70.69107 3.55166 2.34864 -70.72724 932.38152
1360.0000 -74.27125 -69.55709 4.71416 2.37415 -70.47007 933.45252
1365.0000 -73.94818 -69.51218 4.43600 2.47414 -69.46225 1039.47770
1370.0000 -73.42112 -69.75949 3.66163 2.48160 -69.38706 1009.12953
1375.0000 -73.66517 -69.95665 3.70852 2.42553 -69.95219 940.09490
1380.0000 -74.58448 -70.56277 4.02171 2.42454 -69.96222 955.79842
1385.0000 -73.92092 -69.95921 3.96172 2.40860 -70.12285 940.84800
1390.0000 -74.37161 -71.09545 3.27616 2.35852 -70.62758 893.27987
1395.0000 -74.72598 -71.47062 3.25536 2.34298 -70.78422 930.06589
1400.0000 -75.20830 -71.80865 3.39965 2.30215 -71.19576 891.34922
1405.0000 -74.42738 -71.01019 3.41719 2.27516 -71.46780 851.50641
1410.0000 -75.28580 -70.98151 4.30429 2.30261 -71.19111 891.84930
1415.0000 -74.51186 -70.62620 3.88567 2.32901 -70.92509 933.45907
1420.0000 -74.82389 -71.01456 3.80933 2.30798 -71.13703 870.27581
1425.0000 -74.62441 -70.65825 3.96616 2.33798 -70.83463 906.20822
1430.0000 -73.63073 -70.51981 3.11092 2.34477 -70.76621 912.19217
1435.0000 -74.29057 -70.64849 3.64208 2.39743 -70.23546 904.06683
1440.0000 -75.14195 -70.59253 4.54941 2.31227 -71.09374 881.94922
1445.0000 -73.61881 -70.10636 3.51245 2.39262 -70.28392 941.54755
1450.0000 -73.62606 -69.20269 4.42336 2.44483 -69.75767 1014.99851
1455.0000 -73.67907 -70.65311 3.02596 2.41327 -70.07574 915.91228
1460.0000 -74.79693 -69.27126 5.52567 2.38320 -70.37888 948.47054
1465.0000 -73.02391 -69.69021 3.33370 2.43998 -69.80650 1006.02928
1470.0000 -73.53690 -69.93041 3.60649 2.46832 -69.52085 1028.35022
1475.0000 -75.12792 -72.10083 3.02708 2.36037 -70.60892 900.47104
1480.0000 -73.69899 -70.14705 3.55194 2.31978 -71.01810 888.72650
1485.0000 -72.77397 -68.60328 4.17069 2.44515 -69.75439 959.81227
1490.0000 -72.59425 -68.75624 3.83801 2.54888 -68.70891 1052.38035
1495.0000 -73.69877 -69.09182 4.60695 2.55424 -68.65483 1028.49359
1500.0000 -72.50436 -68.43364 4.07072 2.51007 -69.10012 1022.32591
FREEZING PROCESS: loop number 7 T-loop= 928.00000000000000
main_MD> interactions number 7 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16116 4.23239 -2.94075
force_rgl> df(natom) 0.10211 -2.18320 1.65218
1505.0000 -73.02320 -69.12742 3.89578 2.56194 -68.57724 1109.09158
1510.0000 -73.57662 -69.04812 4.52850 2.46522 -69.55212 972.72983
1515.0000 -73.66889 -69.69655 3.97234 2.44917 -69.71386 963.92090
1520.0000 -73.79735 -69.55935 4.23800 2.43703 -69.83633 960.94926
1525.0000 -74.67833 -70.23121 4.44712 2.38727 -70.33781 912.90081
1530.0000 -73.74751 -69.26562 4.48189 2.41364 -70.07199 962.85657
1535.0000 -73.02360 -69.24798 3.77562 2.47571 -69.44641 990.60143
1540.0000 -73.17808 -69.25831 3.91977 2.50447 -69.15656 1007.82749
1545.0000 -74.37239 -68.85576 5.51664 2.53330 -68.86597 1045.77279
1550.0000 -74.39350 -70.93451 3.45900 2.47794 -69.42389 1057.25464
1555.0000 -74.25816 -71.04195 3.21622 2.30160 -71.20137 840.95419
1560.0000 -73.21049 -69.14694 4.06355 2.37650 -70.44638 917.07338
1565.0000 -75.37280 -71.15952 4.21328 2.39714 -70.23839 960.07063
1570.0000 -74.00399 -69.53681 4.46719 2.43578 -69.84886 988.79497
1575.0000 -73.44583 -68.52866 4.91717 2.51174 -69.08323 1072.58823
1580.0000 -74.03431 -70.42481 3.60950 2.49617 -69.24021 978.99499
1585.0000 -74.71713 -70.47931 4.23782 2.41627 -70.04552 942.37257
1590.0000 -74.17627 -70.27548 3.90079 2.45214 -69.68397 1014.56342
1595.0000 -73.70348 -70.49890 3.20458 2.37452 -70.46632 920.37946
1600.0000 -74.01305 -70.37552 3.63752 2.41091 -70.09958 913.66060
1605.0000 -73.80325 -69.86784 3.93541 2.41373 -70.07114 958.90299
1610.0000 -74.01344 -70.31315 3.70028 2.36699 -70.54227 939.43098
1615.0000 -74.36152 -71.88383 2.47769 2.31765 -71.03956 827.19049
1620.0000 -74.63759 -70.71959 3.91800 2.33525 -70.86214 914.65859
1625.0000 -73.84146 -69.50789 4.33357 2.45064 -69.69907 991.84483
1630.0000 -75.22250 -70.78955 4.43295 2.35388 -70.67437 888.20971
1635.0000 -75.00375 -70.89022 4.11353 2.31161 -71.10043 906.12540
1640.0000 -74.49291 -70.71234 3.78057 2.37026 -70.50932 940.09565
1645.0000 -74.40965 -69.89770 4.51195 2.37372 -70.47437 910.04308
1650.0000 -74.19924 -70.23487 3.96438 2.39245 -70.28556 938.24588
1655.0000 -73.57810 -70.20224 3.37585 2.44535 -69.75241 1007.69453
1660.0000 -74.63999 -71.39598 3.24401 2.32040 -71.01185 904.21187
1665.0000 -74.36316 -71.12962 3.23354 2.29717 -71.24596 843.02722
1670.0000 -73.71898 -69.95335 3.76564 2.38372 -70.37361 942.83292
1675.0000 -73.77668 -71.20915 2.56753 2.35836 -70.62921 913.49013
1680.0000 -73.84176 -70.39047 3.45128 2.32074 -71.00836 862.58952
1685.0000 -72.81545 -68.56228 4.25317 2.49320 -69.27016 1054.61132
1690.0000 -75.13219 -71.50154 3.63065 2.39113 -70.29893 916.07614
1695.0000 -75.06847 -70.92646 4.14201 2.32923 -70.92284 873.10184
1700.0000 -74.55870 -71.13073 3.42796 2.31245 -71.09200 829.25138
1705.0000 -75.45483 -71.58404 3.87079 2.26742 -71.54583 863.06081
1710.0000 -74.34814 -70.53118 3.81696 2.33841 -70.83033 916.50473
1715.0000 -73.46142 -70.04021 3.42121 2.34968 -70.71670 941.96784
1720.0000 -75.60785 -71.52517 4.08268 2.32699 -70.94542 877.08514
1725.0000 -73.90577 -70.96163 2.94414 2.30861 -71.13071 856.98418
1730.0000 -74.28419 -70.28845 3.99574 2.33414 -70.87334 914.48216
1735.0000 -73.82188 -70.19491 3.62698 2.40861 -70.12274 987.75586
1740.0000 -74.31360 -70.87853 3.43507 2.45466 -69.65859 1008.43647
1745.0000 -74.64903 -70.36835 4.28068 2.39705 -70.23929 949.90854
1750.0000 -74.18525 -70.45756 3.72769 2.38251 -70.38580 913.47592
FREEZING PROCESS: loop number 8 T-loop= 903.00000000000000
main_MD> interactions number 8 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.28558 -3.33333 -1.11106
force_rgl> df(natom) 0.42966 -1.22468 -2.43996
1755.0000 -73.60069 -70.30774 3.29295 2.35193 -70.69403 892.12664
1760.0000 -73.58191 -70.63344 2.94847 2.38162 -70.39475 913.80175
1765.0000 -74.39648 -70.59145 3.80502 2.29551 -71.26270 847.96051
1770.0000 -75.24429 -71.87795 3.36634 2.29905 -71.22699 893.54868
1775.0000 -74.86359 -70.79810 4.06550 2.29528 -71.26502 868.62220
1780.0000 -74.59280 -70.39473 4.19807 2.37075 -70.50434 949.16164
1785.0000 -74.74387 -70.88359 3.86028 2.31745 -71.04153 886.69370
1790.0000 -73.53315 -69.16215 4.37100 2.41827 -70.02535 960.29642
1795.0000 -73.17716 -68.32181 4.85535 2.49381 -69.26396 1048.19232
1800.0000 -74.63241 -70.40638 4.22602 2.44719 -69.73392 1025.51985
1805.0000 -75.30555 -71.78435 3.52120 2.29779 -71.23970 877.78883
1810.0000 -74.15419 -70.39594 3.75825 2.32367 -70.97888 889.40218
1815.0000 -74.69268 -71.02078 3.67190 2.37049 -70.50693 943.78922
1820.0000 -75.66173 -71.46379 4.19795 2.26278 -71.59261 842.73258
1825.0000 -74.79383 -71.60789 3.18594 2.23187 -71.90418 767.84357
1830.0000 -76.05676 -72.30978 3.74698 2.26692 -71.55091 803.53312
1835.0000 -73.73744 -70.25178 3.48566 2.35136 -70.69976 892.15064
1840.0000 -73.79813 -68.96875 4.82937 2.48123 -69.39072 1017.51781
1845.0000 -74.23115 -69.92642 4.30473 2.49057 -69.29662 1054.33460
1850.0000 -73.73312 -69.41824 4.31487 2.47044 -69.49950 1003.54958
1855.0000 -75.26397 -71.64612 3.61785 2.32748 -70.94046 881.68721
1860.0000 -75.62915 -71.91271 3.71644 2.25691 -71.65181 839.25999
1865.0000 -73.88713 -70.20089 3.68625 2.31485 -71.06781 910.45838
1870.0000 -74.05218 -70.87768 3.17450 2.37713 -70.44001 989.82689
1875.0000 -74.71991 -70.63718 4.08273 2.34713 -70.74239 893.98700
1880.0000 -74.35175 -69.82376 4.52799 2.32617 -70.95372 867.66791
1885.0000 -73.01525 -69.50172 3.51354 2.48670 -69.33562 1036.22533
1890.0000 -72.62541 -68.28788 4.33753 2.51229 -69.07770 1004.42348
1895.0000 -73.64488 -69.44214 4.20274 2.50498 -69.15138 965.57252
1900.0000 -73.52469 -69.62786 3.89683 2.41147 -70.09390 978.84102
1905.0000 -74.42829 -70.45763 3.97066 2.47011 -69.50283 946.45892
1910.0000 -74.75084 -71.63679 3.11405 2.33835 -70.83088 856.73540
1915.0000 -74.18119 -70.89467 3.28652 2.36861 -70.52593 939.26093
1920.0000 -73.91298 -70.11571 3.79727 2.38058 -70.40530 915.14328
1925.0000 -73.97614 -70.08681 3.88933 2.38546 -70.35606 971.37317
1930.0000 -73.41864 -69.19166 4.22698 2.46453 -69.55909 946.51880
1935.0000 -73.74176 -70.52037 3.22139 2.43490 -69.85771 954.76634
1940.0000 -74.81150 -71.00558 3.80591 2.32858 -70.92940 927.40800
1945.0000 -74.56649 -70.94457 3.62192 2.39611 -70.24873 970.84275
1950.0000 -74.65963 -70.99080 3.66883 2.32289 -70.98678 852.83653
1955.0000 -74.24446 -71.49554 2.74893 2.27467 -71.47274 809.33823
1960.0000 -74.42671 -70.86239 3.56432 2.29353 -71.28270 831.72795
1965.0000 -74.54438 -70.04413 4.50025 2.39752 -70.23452 927.85353
1970.0000 -74.41826 -70.33009 4.08817 2.43299 -69.87699 995.87116
1975.0000 -73.42206 -70.02147 3.40059 2.36545 -70.55779 908.67399
1980.0000 -73.92162 -69.78051 4.14111 2.39577 -70.25213 954.07685
1985.0000 -74.47161 -71.20390 3.26771 2.37239 -70.48786 911.86986
1990.0000 -74.28467 -69.53012 4.75455 2.40888 -70.11997 1002.76546
1995.0000 -74.59648 -71.16422 3.43226 2.37190 -70.49279 920.98175
2000.0000 -74.42580 -70.43785 3.98795 2.34872 -70.72639 910.01935
FREEZING PROCESS: loop number 9 T-loop= 878.00000000000000
main_MD> interactions number 9 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66036 -1.68749 -0.84112
force_rgl> df(natom) -2.07654 2.04773 2.44739
2005.0000 -75.48442 -72.16154 3.32288 2.24089 -71.81328 826.10239
2010.0000 -74.79949 -71.21471 3.58478 2.28207 -71.39816 870.66108
2015.0000 -74.60414 -70.21959 4.38456 2.28787 -71.33968 845.17555
2020.0000 -74.04485 -69.89276 4.15209 2.39333 -70.27672 958.84398
2025.0000 -74.94786 -71.58249 3.36537 2.36016 -70.61108 881.62342
2030.0000 -75.52393 -70.92296 4.60098 2.22281 -71.99545 831.52593
2035.0000 -74.94537 -71.33917 3.60619 2.32350 -70.98056 924.55584
2040.0000 -74.92957 -71.17222 3.75735 2.26986 -71.52121 851.69866
2045.0000 -75.47467 -71.48457 3.99010 2.25614 -71.65948 826.04734
2050.0000 -74.31071 -70.94616 3.36455 2.33157 -70.89921 899.30528
2055.0000 -74.29506 -70.79446 3.50060 2.36409 -70.57144 917.68612
2060.0000 -73.65291 -69.23401 4.41891 2.36362 -70.57617 904.76720
2065.0000 -74.44052 -70.72758 3.71293 2.40325 -70.17671 972.01936
2070.0000 -74.29565 -70.96345 3.33220 2.36379 -70.57450 888.05691
2075.0000 -74.52986 -70.90973 3.62013 2.30852 -71.13160 912.37217
2080.0000 -74.79783 -70.95694 3.84089 2.30217 -71.19559 847.51746
2085.0000 -75.21206 -71.74917 3.46288 2.27865 -71.43267 830.38549
2090.0000 -75.53685 -72.05896 3.47789 2.21070 -72.11753 818.59766
2095.0000 -76.51288 -72.81496 3.69792 2.23197 -71.90311 850.73215
2100.0000 -75.46221 -72.76418 2.69803 2.16509 -72.57729 766.18724
2105.0000 -75.61806 -72.31111 3.30695 2.21203 -72.10414 789.34768
2110.0000 -75.47382 -72.80322 2.67060 2.19205 -72.30549 744.76520
2115.0000 -75.44074 -71.61012 3.83062 2.21735 -72.05055 810.46551
2120.0000 -74.70058 -71.50859 3.19199 2.25578 -71.66320 868.07010
2125.0000 -74.65084 -70.57170 4.07915 2.34614 -70.75235 900.44548
2130.0000 -73.03218 -68.84490 4.18729 2.41479 -70.06040 937.38717
2135.0000 -74.51356 -70.43474 4.07883 2.44677 -69.73807 1015.31001
2140.0000 -74.73448 -71.02367 3.71080 2.32425 -70.97302 884.13013
2145.0000 -74.53244 -70.89016 3.64228 2.31766 -71.03947 841.02560
2150.0000 -73.79350 -69.85022 3.94328 2.39436 -70.26640 902.68375
2155.0000 -74.44563 -70.54804 3.89759 2.39098 -70.30047 957.29333
2160.0000 -74.14215 -70.97811 3.16404 2.37357 -70.47595 866.02386
2165.0000 -73.71182 -70.08323 3.62859 2.40301 -70.17922 947.99789
2170.0000 -74.25197 -70.60306 3.64891 2.42585 -69.94894 965.50880
2175.0000 -74.41194 -70.37036 4.04158 2.35006 -70.71291 898.29464
2180.0000 -74.15072 -69.09876 5.05196 2.42580 -69.94949 1003.22932
2185.0000 -74.75548 -70.18455 4.57093 2.34116 -70.80262 926.71480
2190.0000 -73.46740 -69.04773 4.41967 2.41451 -70.06331 938.12938
2195.0000 -73.98354 -69.10145 4.88209 2.52184 -68.98147 1080.21463
2200.0000 -75.71245 -72.14404 3.56841 2.34274 -70.78671 942.28723
2205.0000 -74.88532 -71.59915 3.28618 2.22380 -71.98547 774.39514
2210.0000 -74.84124 -70.85644 3.98480 2.35336 -70.67961 915.47711
2215.0000 -74.52412 -70.55292 3.97120 2.34627 -70.75113 929.35054
2220.0000 -74.85658 -70.71459 4.14199 2.37253 -70.48639 947.20068
2225.0000 -74.96691 -72.05991 2.90701 2.32751 -70.94019 925.62617
2230.0000 -74.31701 -71.98448 2.33253 2.22349 -71.98861 782.67819
2235.0000 -75.04342 -71.25158 3.79185 2.30989 -71.11777 844.45590
2240.0000 -74.79627 -70.39348 4.40280 2.34030 -70.81123 892.08252
2245.0000 -74.45384 -70.88819 3.56565 2.33239 -70.89102 865.58567
2250.0000 -73.29744 -69.54956 3.74788 2.43900 -69.81639 950.53436
FREEZING PROCESS: loop number 10 T-loop= 853.00000000000000
main_MD> interactions number 10 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79847 -2.89609 1.19442
force_rgl> df(natom) 2.77304 -0.85479 2.45874
2255.0000 -74.11046 -70.27131 3.83915 2.43421 -69.86473 953.33261
2260.0000 -72.71067 -68.79768 3.91299 2.40916 -70.11721 977.38403
2265.0000 -74.09355 -70.07483 4.01872 2.48019 -69.40126 1004.78196
2270.0000 -74.86443 -71.12192 3.74251 2.35345 -70.67869 887.54118
2275.0000 -74.60580 -70.90871 3.69709 2.34472 -70.76669 910.05968
2280.0000 -73.76521 -69.65441 4.11080 2.35297 -70.68354 903.72615
2285.0000 -73.99325 -69.43702 4.55623 2.46305 -69.57399 999.33477
2290.0000 -74.71832 -71.17738 3.54094 2.36056 -70.60704 930.81283
2295.0000 -75.54620 -72.07583 3.47037 2.29420 -71.27587 871.03144
2300.0000 -74.43719 -69.62500 4.81219 2.33543 -70.86030 887.98113
2305.0000 -74.20157 -71.76804 2.43353 2.37955 -70.41562 911.82647
2310.0000 -74.88809 -71.59899 3.28910 2.26533 -71.56688 833.50795
2315.0000 -75.69606 -71.72356 3.97250 2.25267 -71.69450 841.76913
2320.0000 -74.58284 -71.25257 3.33027 2.27875 -71.43166 891.26014
2325.0000 -75.16424 -72.11504 3.04920 2.27831 -71.43603 851.07103
2330.0000 -75.74856 -72.75241 2.99615 2.17879 -72.43919 767.84209
2335.0000 -75.41032 -72.37346 3.03687 2.17320 -72.49547 758.50041
2340.0000 -75.90018 -73.07617 2.82400 2.15362 -72.69287 733.06323
2345.0000 -75.82890 -72.48711 3.34179 2.16092 -72.61927 781.68672
2350.0000 -74.55407 -71.40153 3.15254 2.18888 -72.33751 747.95637
2355.0000 -75.17414 -71.96552 3.20862 2.21494 -72.07478 810.23438
2360.0000 -74.33112 -70.91705 3.41407 2.29365 -71.28146 846.46482
2365.0000 -74.53435 -70.41640 4.11795 2.37424 -70.46914 904.13666
2370.0000 -73.78850 -69.22524 4.56326 2.47645 -69.43890 1019.80755
2375.0000 -74.48338 -70.68197 3.80141 2.38066 -70.40445 962.28974
2380.0000 -74.76736 -70.74710 4.02026 2.32635 -70.95188 842.77557
2385.0000 -74.79664 -70.53013 4.26651 2.34861 -70.72748 933.47771
2390.0000 -74.30869 -71.38416 2.92453 2.34059 -70.80838 892.80799
2395.0000 -75.25381 -72.10780 3.14601 2.23684 -71.85405 786.10027
2400.0000 -75.10097 -71.93629 3.16468 2.21339 -72.09044 761.00243
2405.0000 -75.89756 -71.27847 4.61908 2.30533 -71.16372 869.49003
2410.0000 -75.42459 -72.46812 2.95646 2.27432 -71.47626 838.24632
2415.0000 -74.86807 -71.42213 3.44593 2.26365 -71.58383 831.49945
2420.0000 -74.68980 -71.35057 3.33923 2.33265 -70.88831 904.79055
2425.0000 -75.02170 -71.34619 3.67551 2.32083 -71.00747 907.71816
2430.0000 -74.57244 -69.74640 4.82604 2.29226 -71.29544 832.59695
2435.0000 -74.25799 -70.70982 3.54818 2.43048 -69.90229 1005.16929
2440.0000 -74.94956 -70.97224 3.97732 2.35683 -70.64465 889.68393
2445.0000 -73.46573 -70.13461 3.33112 2.35504 -70.66272 883.62658
2450.0000 -75.86340 -72.24089 3.62251 2.37328 -70.47887 934.14091
2455.0000 -75.91713 -73.16427 2.75286 2.20183 -72.20692 787.27622
2460.0000 -75.50658 -72.01868 3.48790 2.12906 -72.94038 756.08206
2465.0000 -74.63731 -71.37335 3.26396 2.27661 -71.45322 864.63416
2470.0000 -74.29119 -71.00921 3.28198 2.29015 -71.31671 798.88615
2475.0000 -74.64578 -71.50387 3.14190 2.36090 -70.60357 907.47722
2480.0000 -76.53045 -72.54995 3.98050 2.23412 -71.88149 823.32533
2485.0000 -75.34504 -71.21504 4.13000 2.23731 -71.84934 855.80549
2490.0000 -75.38907 -71.56287 3.82619 2.26214 -71.59904 862.65923
2495.0000 -74.11743 -70.94403 3.17340 2.29048 -71.31343 812.57110
2500.0000 -74.36085 -70.89964 3.46121 2.28599 -71.35864 849.93327
FREEZING PROCESS: loop number 11 T-loop= 828.00000000000000
main_MD> interactions number 11 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62489 0.74772 -5.98423
force_rgl> df(natom) 3.11585 0.44700 3.97524
2505.0000 -73.39333 -70.43898 2.95435 2.36857 -70.52633 929.02260
2510.0000 -75.07429 -72.22958 2.84471 2.28092 -71.40975 807.09155
2515.0000 -75.82854 -72.54432 3.28422 2.17093 -72.51840 730.02790
2520.0000 -74.69361 -71.77700 2.91662 2.14663 -72.76333 704.60754
2525.0000 -74.83466 -71.83073 3.00393 2.26500 -71.57020 820.72573
2530.0000 -75.57553 -72.74448 2.83106 2.19402 -72.28567 770.08185
2535.0000 -75.72848 -71.84934 3.87914 2.19283 -72.29764 811.55374
2540.0000 -74.47776 -71.68665 2.79111 2.21434 -72.08088 793.82819
2545.0000 -74.30715 -71.52346 2.78370 2.28095 -71.40942 834.40880
2550.0000 -75.57495 -70.57157 5.00338 2.34902 -70.72338 909.39653
2555.0000 -75.52198 -71.64790 3.87408 2.32206 -70.99506 855.76421
2560.0000 -75.04500 -72.35125 2.69374 2.23885 -71.83380 806.79505
2565.0000 -75.10750 -71.59657 3.51093 2.24825 -71.73906 847.94990
2570.0000 -74.59216 -71.33103 3.26113 2.26334 -71.58701 805.69751
2575.0000 -74.78282 -70.35307 4.42975 2.34696 -70.74409 944.60806
2580.0000 -75.23275 -71.68138 3.55137 2.31173 -71.09921 871.36590
2585.0000 -74.13832 -71.09696 3.04135 2.31371 -71.07928 852.67991
2590.0000 -75.72050 -72.73180 2.98870 2.25970 -71.62365 828.31052
2595.0000 -75.75809 -72.99346 2.76463 2.14193 -72.81071 732.85238
2600.0000 -75.74639 -71.75141 3.99499 2.20895 -72.13514 792.25440
2605.0000 -74.27166 -71.33287 2.93879 2.26086 -71.61195 847.80613
2610.0000 -74.81247 -71.14447 3.66800 2.31690 -71.04707 914.68577
2615.0000 -74.22886 -70.95863 3.27023 2.31475 -71.06882 863.13615
2620.0000 -75.09453 -71.60542 3.48911 2.33117 -70.90328 911.49573
2625.0000 -75.42820 -71.84727 3.58093 2.22638 -71.95952 763.03675
2630.0000 -74.87033 -71.70314 3.16719 2.23574 -71.86518 777.17970
2635.0000 -74.75694 -72.16974 2.58719 2.23678 -71.85469 795.61840
2640.0000 -76.57142 -72.77623 3.79519 2.24409 -71.78102 860.60926
2645.0000 -74.67129 -70.98669 3.68460 2.19925 -72.23298 808.60217
2650.0000 -74.91167 -70.92633 3.98534 2.32802 -70.93499 877.58421
2655.0000 -75.30535 -71.81946 3.48589 2.25163 -71.70496 774.18312
2660.0000 -74.61533 -70.92120 3.69413 2.30393 -71.17780 877.87670
2665.0000 -73.51712 -69.53732 3.97980 2.38877 -70.32273 932.22377
2670.0000 -74.71191 -71.52352 3.18838 2.37714 -70.43998 896.48722
2675.0000 -74.72323 -71.38592 3.33731 2.28186 -71.40029 894.41164
2680.0000 -74.60621 -71.34525 3.26096 2.29335 -71.28452 840.67476
2685.0000 -74.28470 -70.47177 3.81293 2.35876 -70.62521 873.43863
2690.0000 -74.46087 -70.70710 3.75377 2.26781 -71.54189 785.72393
2695.0000 -75.53944 -71.77217 3.76726 2.28873 -71.33105 868.79578
2700.0000 -74.21815 -70.82229 3.39586 2.31351 -71.08126 855.28724
2705.0000 -74.64444 -70.47638 4.16806 2.41626 -70.04566 959.04040
2710.0000 -73.10472 -70.26205 2.84266 2.37102 -70.50157 906.98840
2715.0000 -74.52550 -71.11155 3.41395 2.41534 -70.05492 971.44568
2720.0000 -75.59749 -70.96055 4.63694 2.32095 -71.00633 932.85885
2725.0000 -75.86551 -72.51427 3.35123 2.19976 -72.22779 796.75699
2730.0000 -73.64833 -69.87966 3.76868 2.35790 -70.63385 966.34500
2735.0000 -75.32794 -71.96825 3.35969 2.31081 -71.10850 871.44107
2740.0000 -74.70254 -70.54568 4.15686 2.24031 -71.81908 822.01338
2745.0000 -73.79141 -71.08989 2.70152 2.29226 -71.29550 858.78014
2750.0000 -73.57849 -70.91681 2.66167 2.37402 -70.47137 920.59279
FREEZING PROCESS: loop number 12 T-loop= 803.00000000000000
main_MD> interactions number 12 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85862 0.69259 0.29338
force_rgl> df(natom) -1.39474 -0.30049 -2.81492
2755.0000 -75.17420 -70.95172 4.22248 2.34132 -70.80100 908.48078
2760.0000 -74.23272 -70.39220 3.84052 2.38380 -70.37284 940.46738
2765.0000 -75.16400 -72.21697 2.94703 2.33685 -70.84602 908.64891
2770.0000 -75.84791 -73.31953 2.52838 2.16206 -72.60779 751.64828
2775.0000 -75.48840 -72.76557 2.72282 2.10309 -73.20215 733.87404
2780.0000 -76.16707 -72.98385 3.18322 2.13649 -72.86549 698.17141
2785.0000 -76.11908 -73.24342 2.87566 2.09358 -73.29799 681.92054
2790.0000 -76.20638 -73.32672 2.87965 2.09426 -73.29115 723.27000
2795.0000 -75.47098 -72.45591 3.01507 2.11876 -73.04423 740.27065
2800.0000 -75.37350 -71.77078 3.60272 2.24880 -71.73354 812.38319
2805.0000 -75.45511 -72.16886 3.28625 2.19635 -72.26214 790.27060
2810.0000 -74.29636 -70.98708 3.30927 2.27735 -71.44570 816.20221
2815.0000 -74.91248 -70.81354 4.09894 2.30815 -71.13532 845.25102
2820.0000 -74.15769 -70.81368 3.34402 2.34747 -70.73894 842.46743
2825.0000 -75.73963 -72.60511 3.13453 2.24787 -71.74294 789.05715
2830.0000 -75.79050 -73.05263 2.73788 2.12778 -72.95329 740.33119
2835.0000 -75.76367 -71.86646 3.89721 2.15631 -72.66577 736.02622
2840.0000 -76.68667 -73.82537 2.86131 2.10486 -73.18438 729.56111
2845.0000 -75.61847 -72.08647 3.53200 2.13226 -72.90815 732.00547
2850.0000 -74.98556 -71.69289 3.29267 2.23857 -71.83661 795.70544
2855.0000 -74.56860 -71.34459 3.22402 2.22745 -71.94867 803.64860
2860.0000 -75.19784 -71.56469 3.63315 2.28291 -71.38968 841.26298
2865.0000 -74.86305 -70.84963 4.01342 2.30149 -71.20246 847.99601
2870.0000 -74.64401 -71.47748 3.16654 2.33526 -70.86210 878.13521
2875.0000 -75.84459 -72.00464 3.83994 2.29522 -71.26562 875.05670
2880.0000 -75.48066 -71.60456 3.87610 2.25971 -71.62352 877.11934
2885.0000 -74.51578 -71.41476 3.10103 2.29899 -71.22760 841.48056
2890.0000 -74.71171 -70.78852 3.92319 2.32699 -70.94544 881.05007
2895.0000 -75.34226 -72.49473 2.84754 2.27815 -71.43770 826.94950
2900.0000 -75.57598 -71.99179 3.58419 2.18026 -72.42438 806.69833
2905.0000 -75.10017 -72.76614 2.33402 2.16105 -72.61803 789.06523
2910.0000 -75.78442 -71.84134 3.94308 2.21053 -72.11922 792.69827
2915.0000 -74.77737 -71.78294 2.99443 2.28854 -71.33297 861.59961
2920.0000 -73.63898 -69.97161 3.66737 2.28539 -71.36475 828.86599
2925.0000 -76.01039 -72.79440 3.21599 2.26186 -71.60191 830.37922
2930.0000 -76.07797 -72.66418 3.41378 2.15817 -72.64699 748.60310
2935.0000 -74.58122 -70.65234 3.92888 2.21630 -72.06112 817.29876
2940.0000 -74.88984 -71.55996 3.32988 2.31376 -71.07877 878.45770
2945.0000 -76.28004 -72.12395 4.15609 2.20105 -72.21482 796.96327
2950.0000 -75.65209 -72.61882 3.03327 2.17751 -72.45212 782.20497
2955.0000 -75.43856 -72.78782 2.65074 2.17932 -72.43383 789.95447
2960.0000 -75.33316 -72.22811 3.10505 2.20142 -72.21107 812.70536
2965.0000 -74.14732 -71.34548 2.80184 2.28751 -71.34336 855.74368
2970.0000 -73.78601 -71.02922 2.75679 2.30621 -71.15484 863.54808
2975.0000 -75.66167 -72.01906 3.64261 2.29541 -71.26370 848.58007
2980.0000 -75.34692 -71.95843 3.38849 2.23312 -71.89156 783.74080
2985.0000 -75.73884 -72.92313 2.81572 2.21890 -72.03488 746.10591
2990.0000 -76.59562 -73.99591 2.59971 2.12357 -72.99576 716.44272
2995.0000 -75.70591 -72.92021 2.78570 2.08730 -73.36137 678.06348
3000.0000 -75.77075 -72.20456 3.56619 2.18843 -72.34204 785.62479
FREEZING PROCESS: loop number 13 T-loop= 778.00000000000000
main_MD> interactions number 13 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.96530 -0.52993 3.59501
force_rgl> df(natom) 2.83005 -0.03680 2.84029
3005.0000 -76.26362 -73.22942 3.03420 2.14670 -72.76259 765.14181
3010.0000 -75.86613 -72.51389 3.35224 2.15594 -72.66949 745.86235
3015.0000 -76.33923 -73.08880 3.25042 2.14273 -72.80263 743.44730
3020.0000 -75.10906 -72.55279 2.55627 2.16016 -72.62694 740.45735
3025.0000 -74.36146 -71.25702 3.10444 2.20882 -72.13648 738.96612
3030.0000 -75.11774 -71.78226 3.33547 2.30344 -71.18275 821.87883
3035.0000 -75.26186 -71.87765 3.38421 2.22905 -71.93258 756.82899
3040.0000 -75.06296 -72.20350 2.85946 2.21976 -72.02618 790.46952
3045.0000 -74.65640 -71.36137 3.29503 2.23620 -71.86054 771.11274
3050.0000 -74.66636 -71.59890 3.06746 2.28188 -71.40011 819.71869
3055.0000 -75.95327 -72.48781 3.46547 2.25785 -71.64228 829.66511
3060.0000 -75.58819 -71.86413 3.72407 2.17422 -72.48520 717.99011
3065.0000 -75.95088 -73.24849 2.70239 2.17306 -72.49694 750.22753
3070.0000 -77.08587 -74.52965 2.55623 2.05186 -73.71854 672.45851
3075.0000 -75.62891 -73.07223 2.55668 2.09944 -73.23899 677.69337
3080.0000 -74.91192 -71.76049 3.15143 2.18841 -72.34216 757.42908
3085.0000 -75.04365 -71.84213 3.20152 2.23621 -71.86045 773.25824
3090.0000 -74.64821 -71.40069 3.24752 2.26908 -71.52907 848.86767
3095.0000 -75.52311 -72.83524 2.68787 2.14233 -72.80665 701.03594
3100.0000 -75.82189 -72.84336 2.97853 2.10416 -73.19141 705.12894
3105.0000 -75.59407 -72.11052 3.48355 2.18717 -72.35466 782.73027
3110.0000 -76.43760 -73.50090 2.93670 2.10959 -73.13666 687.01338
3115.0000 -75.76871 -72.44007 3.32864 2.10084 -73.22486 686.47712
3120.0000 -74.31795 -71.03195 3.28600 2.28398 -71.37890 792.67065
3125.0000 -75.42912 -71.50922 3.91990 2.25911 -71.62959 848.19167
3130.0000 -75.50002 -71.74800 3.75202 2.26753 -71.54477 823.76987
3135.0000 -74.39583 -71.38915 3.00668 2.25977 -71.62295 838.25125
3140.0000 -75.42682 -72.66865 2.75817 2.18912 -72.33509 770.52400
3145.0000 -76.08192 -72.99034 3.09158 2.16513 -72.57685 744.69819
3150.0000 -75.60825 -72.58275 3.02550 2.14366 -72.79322 703.27586
3155.0000 -76.55810 -73.42403 3.13407 2.11411 -73.09109 683.28939
3160.0000 -75.06451 -72.41359 2.65092 2.17558 -72.47148 774.53880
3165.0000 -76.38253 -73.32573 3.05680 2.10696 -73.16321 731.19922
3170.0000 -76.91565 -74.60850 2.30715 2.01008 -74.13969 653.01466
3175.0000 -76.00826 -73.36554 2.64272 2.04340 -73.80384 668.26287
3180.0000 -75.38175 -72.47099 2.91076 2.10295 -73.20360 710.80761
3185.0000 -75.98941 -72.07447 3.91494 2.25547 -71.66631 828.91173
3190.0000 -75.81993 -72.66117 3.15876 2.21327 -72.09162 799.91244
3195.0000 -76.00474 -72.96737 3.03737 2.14510 -72.77873 737.07663
3200.0000 -76.44354 -72.87458 3.56897 2.09282 -73.30572 698.81164
3205.0000 -76.45027 -73.19698 3.25329 2.13550 -72.87551 717.88802
3210.0000 -75.27477 -71.73513 3.53964 2.22513 -71.97210 789.07909
3215.0000 -75.03573 -71.75905 3.27668 2.22959 -71.92710 787.31516
3220.0000 -74.91032 -71.17127 3.73904 2.29956 -71.22191 842.36599
3225.0000 -75.05531 -70.94339 4.11192 2.31191 -71.09742 866.65960
3230.0000 -75.03466 -72.04137 2.99329 2.29216 -71.29648 832.11362
3235.0000 -75.73284 -72.27899 3.45385 2.22020 -72.02176 794.33525
3240.0000 -75.77884 -72.94472 2.83413 2.18792 -72.34710 757.03792
3245.0000 -75.55990 -72.06794 3.49196 2.18646 -72.36183 722.30853
3250.0000 -74.95157 -71.94189 3.00969 2.23488 -71.87385 775.68604
FREEZING PROCESS: loop number 14 T-loop= 753.00000000000000
main_MD> interactions number 14 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17175 -0.92516 2.70308
force_rgl> df(natom) -3.41869 -2.50974 1.31229
3255.0000 -76.22616 -73.30141 2.92475 2.15981 -72.63046 714.56376
3260.0000 -75.56119 -72.18617 3.37502 2.13994 -72.83078 735.55482
3265.0000 -75.59464 -73.18531 2.40933 2.12010 -73.03073 691.90791
3270.0000 -76.01713 -73.14767 2.86946 2.10283 -73.20481 702.21340
3275.0000 -75.79449 -73.37286 2.42162 2.08501 -73.38442 691.39073
3280.0000 -75.58990 -72.16607 3.42383 2.11458 -73.08638 705.00865
3285.0000 -75.11932 -71.84535 3.27397 2.21116 -72.11287 784.12600
3290.0000 -75.69695 -72.81564 2.88131 2.18352 -72.39149 766.28622
3295.0000 -74.26292 -71.65825 2.60467 2.14979 -72.73152 764.01429
3300.0000 -75.93363 -72.94553 2.98810 2.22296 -71.99395 790.61812
3305.0000 -75.05337 -71.87645 3.17692 2.18327 -72.39397 765.79862
3310.0000 -75.59458 -72.40036 3.19423 2.22401 -71.98339 779.38194
3315.0000 -74.98540 -72.02148 2.96393 2.21314 -72.09290 746.27311
3320.0000 -75.56468 -71.57838 3.98630 2.18645 -72.36201 747.57998
3325.0000 -75.23960 -72.07276 3.16684 2.25721 -71.64879 806.44980
3330.0000 -75.32298 -71.84494 3.47804 2.19055 -72.32064 705.94414
3335.0000 -76.29487 -72.97708 3.31779 2.18708 -72.35561 761.57310
3340.0000 -76.05554 -72.32319 3.73235 2.09621 -73.27158 694.43810
3345.0000 -75.41443 -71.28127 4.13316 2.23871 -71.83520 796.14804
3350.0000 -76.01361 -71.59507 4.41854 2.27404 -71.47913 816.19100
3355.0000 -75.51309 -72.39779 3.11530 2.21018 -72.12280 777.86244
3360.0000 -76.28120 -73.27727 3.00393 2.11291 -73.10315 705.50307
3365.0000 -76.12369 -72.80172 3.32197 2.12480 -72.98338 725.42520
3370.0000 -76.10131 -72.19074 3.91057 2.14544 -72.77527 723.08973
3375.0000 -75.71601 -72.98002 2.73599 2.17755 -72.45170 714.82079
3380.0000 -75.09210 -71.09485 3.99725 2.25326 -71.68861 785.51412
3385.0000 -76.74835 -73.37894 3.36942 2.19681 -72.25755 737.37593
3390.0000 -74.60860 -71.37657 3.23203 2.20087 -72.21657 754.73334
3395.0000 -76.10381 -73.32197 2.78184 2.20956 -72.12901 756.31426
3400.0000 -75.84072 -73.18210 2.65862 2.05853 -73.65128 670.36951
3405.0000 -76.38858 -72.72158 3.66700 2.11232 -73.10920 733.49847
3410.0000 -75.79969 -72.50834 3.29136 2.10378 -73.19524 714.74592
3415.0000 -75.93163 -73.11579 2.81584 2.14471 -72.78268 728.58331
3420.0000 -75.38366 -72.83418 2.54948 2.13447 -72.88586 736.91404
3425.0000 -75.88383 -73.12619 2.75763 2.11247 -73.10768 742.31954
3430.0000 -76.16748 -72.90775 3.25973 2.13929 -72.83729 728.63991
3435.0000 -75.47032 -72.63236 2.83796 2.13316 -72.89914 692.43015
3440.0000 -75.17897 -72.69710 2.48188 2.13903 -72.83991 722.22364
3445.0000 -75.72493 -72.03118 3.69376 2.21925 -72.03139 763.19744
3450.0000 -74.98905 -72.12637 2.86268 2.20002 -72.22515 710.49723
3455.0000 -75.62307 -72.09275 3.53032 2.16851 -72.54283 688.39170
3460.0000 -75.54030 -72.34253 3.19777 2.21593 -72.06482 758.88008
3465.0000 -75.67336 -72.67337 2.99999 2.14550 -72.77471 735.32446
3470.0000 -75.59914 -72.18412 3.41502 2.19046 -72.32159 777.99885
3475.0000 -75.60707 -71.92380 3.68327 2.17638 -72.46345 726.12152
3480.0000 -74.48074 -71.44071 3.04003 2.26510 -71.56927 797.78444
3485.0000 -75.82369 -72.54331 3.28038 2.20696 -72.15523 772.94895
3490.0000 -76.41644 -72.88532 3.53112 2.16403 -72.58795 750.51840
3495.0000 -74.80435 -71.74961 3.05474 2.14977 -72.73171 768.85602
3500.0000 -74.75598 -71.85834 2.89765 2.23456 -71.87706 791.18859
FREEZING PROCESS: loop number 15 T-loop= 728.00000000000000
main_MD> interactions number 15 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95261 -0.02451 -1.51689
force_rgl> df(natom) -2.01893 -0.82141 -0.44285
3505.0000 -75.31101 -72.07031 3.24071 2.21378 -72.08646 828.49495
3510.0000 -75.48429 -72.78635 2.69793 2.18458 -72.38086 791.75477
3515.0000 -75.86126 -72.65610 3.20515 2.15876 -72.64108 719.58857
3520.0000 -75.83773 -72.67615 3.16158 2.13920 -72.83825 691.54224
3525.0000 -75.81029 -71.80550 4.00479 2.20458 -72.17919 799.13086
3530.0000 -75.08446 -71.88759 3.19686 2.22993 -71.92376 822.78339
3535.0000 -75.05320 -71.91663 3.13657 2.19265 -72.29943 768.97401
3540.0000 -75.71434 -71.89794 3.81639 2.20448 -72.18024 821.24498
3545.0000 -76.06930 -72.04855 4.02075 2.20219 -72.20330 812.11954
3550.0000 -75.42671 -72.17155 3.25516 2.22708 -71.95244 851.13550
3555.0000 -75.81512 -72.68585 3.12927 2.17924 -72.43462 751.07671
3560.0000 -75.81676 -72.59099 3.22577 2.14301 -72.79977 702.16860
3565.0000 -75.14173 -72.79959 2.34214 2.15402 -72.68880 692.53721
3570.0000 -76.21435 -73.27388 2.94047 2.11604 -73.07168 694.08676
3575.0000 -75.55923 -72.69176 2.86747 2.14036 -72.82652 742.27500
3580.0000 -76.45401 -73.36525 3.08875 2.10596 -73.17327 669.54443
3585.0000 -76.06625 -72.83740 3.22885 2.06053 -73.63115 660.78255
3590.0000 -75.54689 -73.15659 2.39030 2.07824 -73.45262 684.79307
3595.0000 -76.10785 -73.14191 2.96594 2.12459 -72.98545 706.14191
3600.0000 -76.32129 -73.21108 3.11021 2.07316 -73.50388 680.95493
3605.0000 -75.65882 -72.81747 2.84135 2.13952 -72.83499 718.59366
3610.0000 -74.81145 -71.97952 2.83193 2.17672 -72.46003 798.27200
3615.0000 -75.48546 -73.03221 2.45325 2.13313 -72.89937 755.11049
3620.0000 -75.31358 -72.50314 2.81045 2.20293 -72.19588 774.81006
3625.0000 -75.02609 -71.59801 3.42808 2.18664 -72.36005 757.40977
3630.0000 -75.57934 -72.35538 3.22396 2.25525 -71.66849 792.42942
3635.0000 -76.62093 -73.44444 3.17650 2.09902 -73.24317 681.00752
3640.0000 -76.35885 -73.75282 2.60603 2.04724 -73.76508 653.41842
3645.0000 -76.95260 -73.35858 3.59402 2.03384 -73.90020 625.35756
3650.0000 -75.52415 -72.86833 2.65582 2.10335 -73.19953 711.62449
3655.0000 -76.41409 -74.01559 2.39850 2.05029 -73.73439 646.51504
3660.0000 -76.71256 -74.13120 2.58135 2.02208 -74.01869 621.99029
3665.0000 -76.14142 -73.74951 2.39191 2.01482 -74.09188 625.71290
3670.0000 -76.10023 -72.62308 3.47715 2.11180 -73.11439 698.23066
3675.0000 -75.00657 -72.11143 2.89514 2.15414 -72.68765 738.11009
3680.0000 -75.38493 -72.49756 2.88737 2.21129 -72.11162 807.63946
3685.0000 -75.80801 -72.90549 2.90252 2.14303 -72.79965 733.43220
3690.0000 -76.65936 -73.59343 3.06593 2.07113 -73.52432 668.67895
3695.0000 -77.00229 -73.71577 3.28652 2.03740 -73.86433 633.76653
3700.0000 -75.51719 -72.96104 2.55616 2.09138 -73.32017 672.26614
3705.0000 -76.14973 -73.13540 3.01432 2.12060 -73.02565 692.73075
3710.0000 -75.87253 -73.42695 2.44558 2.07761 -73.45902 668.20879
3715.0000 -75.47461 -71.93136 3.54324 2.14174 -72.81264 713.03705
3720.0000 -75.71508 -72.75881 2.95627 2.18310 -72.39578 749.16183
3725.0000 -76.08463 -73.32927 2.75537 2.13073 -72.92355 718.54641
3730.0000 -75.42449 -72.27343 3.15106 2.14196 -72.81037 714.66109
3735.0000 -76.25823 -73.24074 3.01749 2.15423 -72.68677 733.11649
3740.0000 -76.26026 -73.32592 2.93434 2.10577 -73.17519 687.77617
3745.0000 -76.89534 -73.18815 3.70719 2.08968 -73.33730 662.35593
3750.0000 -75.93507 -72.45165 3.48342 2.13080 -72.92288 711.43909
FREEZING PROCESS: loop number 16 T-loop= 703.00000000000000
main_MD> interactions number 16 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20386 2.58723 -1.08561
force_rgl> df(natom) 1.00408 2.72363 1.32921
3755.0000 -75.19579 -72.32243 2.87336 2.18360 -72.39073 762.34033
3760.0000 -76.46988 -72.33762 4.13227 2.16326 -72.59566 754.57802
3765.0000 -76.26636 -72.33917 3.92719 2.14495 -72.78021 713.16335
3770.0000 -75.89744 -72.64758 3.24986 2.11933 -73.03849 719.65908
3775.0000 -76.31594 -73.55851 2.75743 2.13690 -72.86138 706.40264
3780.0000 -75.84879 -72.74202 3.10677 2.09672 -73.26635 698.91248
3785.0000 -76.93370 -73.87697 3.05672 2.09491 -73.28463 697.85969
3790.0000 -75.52287 -72.63308 2.88979 2.09280 -73.30593 676.36590
3795.0000 -75.26655 -72.60657 2.65998 2.15622 -72.66665 765.84764
3800.0000 -76.23834 -73.53175 2.70660 2.10952 -73.13738 690.13673
3805.0000 -76.46893 -73.65735 2.81157 2.09496 -73.28413 656.66453
3810.0000 -76.99478 -74.65776 2.33703 1.98137 -74.42902 595.97786
3815.0000 -76.50698 -73.43611 3.07087 1.99120 -74.32999 594.94470
3820.0000 -76.43028 -73.67378 2.75650 2.07864 -73.44863 674.21231
3825.0000 -76.76680 -73.83637 2.93044 2.10905 -73.14211 682.54142
3830.0000 -76.49648 -73.49996 2.99651 2.05809 -73.65577 661.36218
3835.0000 -76.55709 -73.86840 2.68870 2.05371 -73.69992 663.10316
3840.0000 -76.64811 -74.47881 2.16930 2.02227 -74.01684 646.37748
3845.0000 -76.88157 -74.85661 2.02496 1.95377 -74.70725 573.37747
3850.0000 -76.21715 -74.12365 2.09350 1.98653 -74.37699 583.27923
3855.0000 -75.63421 -73.11885 2.51536 2.09308 -73.30311 671.70038
3860.0000 -75.97044 -73.16173 2.80871 2.09788 -73.25473 709.13120
3865.0000 -76.33140 -73.35009 2.98131 2.05530 -73.68384 647.30809
3870.0000 -76.25524 -73.38906 2.86617 2.04077 -73.83036 637.94779
3875.0000 -75.14795 -72.34444 2.80352 2.12251 -73.00641 706.08298
3880.0000 -75.75377 -71.57262 4.18115 2.24781 -71.74345 828.23717
3885.0000 -76.15875 -73.28689 2.87186 2.16224 -72.60602 743.77493
3890.0000 -76.20895 -74.01286 2.19609 2.02148 -74.02479 617.64191
3895.0000 -76.24289 -73.02621 3.21668 2.09596 -73.27404 677.83717
3900.0000 -76.87406 -74.52920 2.34486 2.07109 -73.52476 672.67903
3905.0000 -76.55500 -73.59068 2.96432 2.00006 -74.24066 601.66770
3910.0000 -75.99278 -73.13889 2.85389 2.04938 -73.74350 634.62223
3915.0000 -75.58697 -72.88685 2.70012 2.15329 -72.69623 716.80140
3920.0000 -75.85524 -72.35378 3.50146 2.17984 -72.42858 722.56592
3925.0000 -77.43916 -74.16911 3.27006 2.06664 -73.56954 700.31536
3930.0000 -76.48070 -73.61926 2.86144 2.05402 -73.69682 663.07839
3935.0000 -76.26743 -72.87546 3.39197 2.10777 -73.15498 724.28778
3940.0000 -76.64297 -73.94495 2.69802 2.09359 -73.29791 696.87410
3945.0000 -77.13567 -74.30525 2.83042 1.98164 -74.42637 575.60213
3950.0000 -76.89001 -73.94111 2.94891 2.05854 -73.65118 670.97276
3955.0000 -75.69973 -72.24204 3.45769 2.14946 -72.73485 723.30564
3960.0000 -76.63821 -72.87519 3.76302 2.22262 -71.99736 810.37988
3965.0000 -76.15742 -73.46068 2.69675 2.06789 -73.55693 653.85247
3970.0000 -76.25515 -73.84417 2.41099 2.07557 -73.47961 677.04404
3975.0000 -76.55165 -73.19359 3.35807 2.05174 -73.71974 641.72827
3980.0000 -75.85225 -73.00679 2.84545 2.10340 -73.19901 722.49686
3985.0000 -75.04555 -72.03481 3.01074 2.17570 -72.47031 747.84039
3990.0000 -76.31095 -72.78102 3.52994 2.13773 -72.85305 721.52532
3995.0000 -75.93510 -72.49230 3.44280 2.16757 -72.55222 770.21392
4000.0000 -76.40971 -73.51682 2.89290 2.14693 -72.76031 741.02304
FREEZING PROCESS: loop number 17 T-loop= 678.00000000000000
main_MD> interactions number 17 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44558 -1.40538 -1.62514
force_rgl> df(natom) -1.74290 1.51419 0.20342
4005.0000 -76.56182 -73.72321 2.83860 2.04118 -73.82616 627.33324
4010.0000 -76.78570 -74.68541 2.10029 2.01643 -74.07569 634.19461
4015.0000 -76.80073 -74.24651 2.55422 1.99524 -74.28921 601.07759
4020.0000 -75.52065 -73.05079 2.46985 2.03931 -73.84501 639.73284
4025.0000 -75.76411 -72.59432 3.16978 2.17204 -72.50718 739.91516
4030.0000 -76.54214 -72.64556 3.89658 2.17587 -72.46860 765.23932
4035.0000 -76.45450 -73.19449 3.26002 2.13133 -72.91757 711.40162
4040.0000 -76.30862 -73.79677 2.51185 2.09498 -73.28390 709.85025
4045.0000 -76.77506 -73.84732 2.92775 1.98311 -74.41147 569.35803
4050.0000 -76.00386 -73.22295 2.78091 2.07756 -73.45951 694.02529
4055.0000 -76.79311 -73.34415 3.44896 2.07932 -73.44175 687.55819
4060.0000 -75.68219 -72.54112 3.14107 2.10127 -73.22055 667.56572
4065.0000 -76.59558 -73.45279 3.14278 2.09546 -73.27909 701.32009
4070.0000 -76.04924 -72.99837 3.05087 2.08960 -73.33817 685.68138
4075.0000 -76.75320 -73.51638 3.23682 2.09218 -73.31217 712.27737
4080.0000 -76.48010 -72.96375 3.51635 2.07826 -73.45242 685.41285
4085.0000 -75.85745 -73.66289 2.19457 2.08294 -73.40531 646.46692
4090.0000 -76.10626 -74.02077 2.08549 2.04597 -73.77795 632.69195
4095.0000 -77.29540 -74.22150 3.07390 2.03084 -73.93044 637.77225
4100.0000 -76.13091 -73.17819 2.95273 2.02842 -73.95485 647.66614
4105.0000 -75.87240 -73.06809 2.80431 2.11482 -73.08400 686.40583
4110.0000 -75.47354 -72.47528 2.99826 2.08981 -73.33605 691.31666
4115.0000 -76.03336 -73.03180 3.00157 2.12385 -72.99294 723.81104
4120.0000 -76.55292 -74.10077 2.45214 2.06017 -73.63481 664.95838
4125.0000 -76.69394 -74.08935 2.60459 2.01841 -74.05571 637.07030
4130.0000 -76.19881 -73.45810 2.74072 2.08815 -73.35278 707.47882
4135.0000 -76.33072 -72.81155 3.51917 2.09638 -73.26977 716.84697
4140.0000 -76.42567 -73.39974 3.02592 2.08119 -73.42290 669.26046
4145.0000 -75.87613 -73.19316 2.68298 2.09073 -73.32674 690.46407
4150.0000 -76.17116 -72.65804 3.51312 2.09647 -73.26886 674.27919
4155.0000 -76.02057 -73.88360 2.13697 2.07733 -73.46186 671.10771
4160.0000 -76.53196 -73.88592 2.64603 2.07264 -73.50912 675.18906
4165.0000 -75.86105 -72.89499 2.96606 2.05157 -73.72148 616.12455
4170.0000 -76.03050 -72.70179 3.32871 2.15282 -72.70090 714.16045
4175.0000 -76.29458 -73.81627 2.47831 2.11657 -73.06630 720.21100
4180.0000 -75.95803 -73.75463 2.20340 2.03651 -73.87330 616.32527
4185.0000 -76.52849 -72.89117 3.63732 2.10221 -73.21104 710.40634
4190.0000 -76.01745 -73.76428 2.25317 2.12628 -72.96843 737.66192
4195.0000 -76.30476 -74.14307 2.16169 2.03315 -73.90712 630.07084
4200.0000 -76.87869 -74.47627 2.40242 1.95926 -74.65191 578.67943
4205.0000 -76.71432 -74.07457 2.63975 2.00456 -74.19525 628.62797
4210.0000 -76.10872 -73.57269 2.53602 2.01417 -74.09843 609.48031
4215.0000 -76.65224 -73.20156 3.45067 2.06737 -73.56219 667.54215
4220.0000 -75.72301 -73.55389 2.16912 2.13374 -72.89328 742.08299
4225.0000 -76.35488 -73.76412 2.59076 2.02796 -73.95942 660.61177
4230.0000 -75.06483 -71.83860 3.22623 2.13332 -72.89747 707.39127
4235.0000 -76.15379 -73.70042 2.45337 2.14424 -72.78738 717.35626
4240.0000 -76.03726 -73.65358 2.38368 2.09220 -73.31192 655.39675
4245.0000 -75.56426 -72.64554 2.91872 2.12421 -72.98933 700.98219
4250.0000 -75.99343 -72.85493 3.13849 2.12246 -73.00697 627.18480
FREEZING PROCESS: loop number 18 T-loop= 653.00000000000000
main_MD> interactions number 18 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.04807 0.08717 0.20422
force_rgl> df(natom) -1.46798 0.61787 -1.44085
4255.0000 -76.37040 -73.55396 2.81644 2.10841 -73.14853 680.50538
4260.0000 -76.15926 -73.38593 2.77334 2.06090 -73.62741 666.24830
4265.0000 -76.06100 -73.33494 2.72606 2.09698 -73.26379 680.48568
4270.0000 -75.69882 -72.61296 3.08586 2.10820 -73.15067 727.30617
4275.0000 -76.67376 -74.06948 2.60428 2.04603 -73.77728 661.04919
4280.0000 -76.65597 -74.12634 2.52963 2.00185 -74.22266 608.59969
4285.0000 -77.32184 -74.85267 2.46918 1.97604 -74.48276 578.54147
4290.0000 -77.60446 -74.41837 3.18608 1.98625 -74.37990 607.52815
4295.0000 -76.33130 -73.50965 2.82165 2.02694 -73.96971 635.17620
4300.0000 -76.12371 -73.46756 2.65615 2.05740 -73.66269 649.21496
4305.0000 -77.12037 -74.37897 2.74139 2.00945 -74.14599 621.89216
4310.0000 -76.38977 -74.22224 2.16753 1.99562 -74.28540 578.19412
4315.0000 -76.07277 -73.25648 2.81629 2.08003 -73.43462 681.98459
4320.0000 -75.84199 -73.48169 2.36030 2.08194 -73.41537 649.17315
4325.0000 -76.35923 -74.25277 2.10646 2.05611 -73.67572 609.16778
4330.0000 -76.41592 -73.90760 2.50832 2.00186 -74.22253 554.21165
4335.0000 -76.48286 -73.85365 2.62921 2.05061 -73.73114 684.04000
4340.0000 -76.61574 -73.88233 2.73341 2.03350 -73.90362 633.52726
4345.0000 -75.48942 -73.11832 2.37110 2.08353 -73.39935 619.39872
4350.0000 -75.91231 -72.77683 3.13548 2.10523 -73.18061 683.51722
4355.0000 -76.55004 -73.81614 2.73390 2.14265 -72.80343 749.33387
4360.0000 -75.97463 -73.19494 2.77969 2.09414 -73.29235 686.57890
4365.0000 -76.54105 -73.55566 2.98539 2.06423 -73.59386 688.70850
4370.0000 -75.83234 -73.40403 2.42831 2.05871 -73.64954 653.17406
4375.0000 -76.05216 -73.20410 2.84806 2.08905 -73.34374 694.90759
4380.0000 -75.20928 -72.23530 2.97398 2.16246 -72.60382 748.76726
4385.0000 -75.48733 -72.90776 2.57957 2.22137 -72.01002 775.35254
4390.0000 -76.58873 -73.30655 3.28218 2.13655 -72.86496 693.28137
4395.0000 -75.78584 -72.80748 2.97836 2.12451 -72.98629 701.72438
4400.0000 -76.24449 -73.09379 3.15070 2.14224 -72.80753 746.36328
4405.0000 -75.25809 -72.76854 2.48955 2.12660 -72.96526 679.20387
4410.0000 -76.61617 -73.60897 3.00719 2.10456 -73.18738 702.56461
4415.0000 -77.03054 -73.86344 3.16710 2.03966 -73.84150 658.07412
4420.0000 -76.44893 -73.49327 2.95566 2.04687 -73.76884 656.30728
4425.0000 -77.03300 -74.22802 2.80498 2.05250 -73.71211 656.53476
4430.0000 -76.13826 -73.57798 2.56028 2.02840 -73.95498 629.09260
4435.0000 -75.64817 -73.07860 2.56957 2.07162 -73.51935 661.84447
4440.0000 -76.67989 -74.04563 2.63425 2.06698 -73.56619 674.51671
4445.0000 -76.25960 -73.68063 2.57897 2.02982 -73.94069 650.75423
4450.0000 -75.69542 -72.32107 3.37435 2.13327 -72.89798 732.25623
4455.0000 -76.04212 -72.38835 3.65378 2.18887 -72.33762 775.72794
4460.0000 -76.44192 -73.47786 2.96406 2.12216 -73.00996 697.57934
4465.0000 -75.70253 -73.35627 2.34626 2.08850 -73.34924 681.51430
4470.0000 -76.89079 -74.11275 2.77804 2.04030 -73.83503 642.25582
4475.0000 -77.12338 -74.77934 2.34404 1.97564 -74.48684 610.82400
4480.0000 -77.16911 -74.38278 2.78633 2.00230 -74.21810 621.83171
4485.0000 -76.69358 -74.88711 1.80647 1.97001 -74.54357 587.45487
4490.0000 -76.20545 -73.78501 2.42045 2.06011 -73.63540 679.74146
4495.0000 -75.95718 -73.32564 2.63154 2.07689 -73.46627 676.87500
4500.0000 -76.97820 -74.80336 2.17484 1.98578 -74.38462 585.75066
FREEZING PROCESS: loop number 19 T-loop= 628.00000000000000
main_MD> interactions number 19 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58875 -0.14277 2.20587
force_rgl> df(natom) 4.00468 -2.90624 1.49339
4505.0000 -77.04497 -74.96338 2.08159 1.92598 -74.98732 529.26015
4510.0000 -77.22899 -74.51395 2.71504 1.91816 -75.06620 553.00136
4515.0000 -76.30558 -74.35582 1.94976 2.03495 -73.88901 645.36166
4520.0000 -76.55975 -74.38321 2.17654 1.99269 -74.31497 573.00676
4525.0000 -76.64039 -74.31330 2.32709 1.99392 -74.30252 610.43502
4530.0000 -76.68708 -74.09227 2.59481 2.06256 -73.61073 670.86366
4535.0000 -76.85343 -73.89618 2.95725 1.99170 -74.32492 574.76474
4540.0000 -76.88671 -74.47057 2.41614 2.03244 -73.91431 623.19337
4545.0000 -76.78920 -74.30047 2.48873 2.00926 -74.14798 605.92862
4550.0000 -76.33628 -73.84233 2.49395 2.00148 -74.22632 608.45421
4555.0000 -76.20166 -73.44926 2.75240 2.03835 -73.85468 644.34042
4560.0000 -76.33525 -74.19163 2.14363 2.05308 -73.70629 665.32389
4565.0000 -77.07467 -73.96464 3.11003 1.99351 -74.30669 609.81563
4570.0000 -76.76244 -73.97427 2.78817 2.02283 -74.01115 641.56917
4575.0000 -76.37975 -74.11771 2.26203 1.98231 -74.41960 570.24737
4580.0000 -76.62313 -74.28067 2.34247 1.97616 -74.48152 574.71191
4585.0000 -76.45331 -74.32186 2.13145 1.97392 -74.50417 572.48744
4590.0000 -76.73155 -73.90962 2.82193 2.02095 -74.03011 618.83398
4595.0000 -77.03263 -74.53345 2.49918 1.97778 -74.46521 587.00823
4600.0000 -77.03286 -74.47248 2.56038 1.98062 -74.43657 537.82663
4605.0000 -76.50436 -74.23125 2.27311 1.98839 -74.35832 570.36574
4610.0000 -75.99731 -72.67753 3.31978 2.09543 -73.27943 712.23304
4615.0000 -76.90822 -74.44916 2.45906 2.03171 -73.92162 616.83294
4620.0000 -76.86370 -73.75885 3.10485 2.03223 -73.91645 612.04208
4625.0000 -75.83658 -74.21643 1.62015 2.03248 -73.91389 625.41501
4630.0000 -76.83661 -74.05966 2.77695 1.99514 -74.29027 605.87752
4635.0000 -76.59293 -74.52420 2.06873 2.04267 -73.81118 634.36695
4640.0000 -76.02057 -73.02733 2.99324 2.10337 -73.19931 715.31659
4645.0000 -77.02400 -74.31262 2.71137 2.05251 -73.71200 670.82331
4650.0000 -77.21246 -74.13605 3.07641 2.00717 -74.16899 623.23482
4655.0000 -75.97731 -73.60819 2.36912 2.04101 -73.82795 644.48357
4660.0000 -76.34387 -73.88552 2.45836 2.03409 -73.89764 623.27582
4665.0000 -76.94208 -75.06382 1.87826 1.98357 -74.40690 597.85554
4670.0000 -76.46208 -73.57416 2.88792 1.97336 -74.50977 579.13066
4675.0000 -75.85942 -73.64920 2.21022 2.07502 -73.48510 683.35307
4680.0000 -76.09683 -73.53190 2.56493 2.07229 -73.51260 653.74353
4685.0000 -77.03093 -73.93212 3.09881 2.01288 -74.11148 569.56879
4690.0000 -75.86844 -73.89667 1.97177 2.05860 -73.65066 629.43385
4695.0000 -77.17491 -74.53580 2.63911 1.98999 -74.34220 576.63365
4700.0000 -76.28049 -74.16034 2.12015 1.97391 -74.50428 586.22382
4705.0000 -76.19711 -73.97896 2.21815 2.03598 -73.87857 646.23973
4710.0000 -76.56588 -74.26687 2.29900 1.99078 -74.33424 589.74784
4715.0000 -76.55491 -74.15667 2.39824 1.99606 -74.28096 614.57395
4720.0000 -76.75610 -74.78793 1.96818 1.99471 -74.29456 607.59656
4725.0000 -77.14731 -74.70360 2.44371 1.93898 -74.85631 546.68707
4730.0000 -76.66102 -74.25822 2.40281 1.98165 -74.42626 591.47762
4735.0000 -77.11190 -75.22883 1.88306 1.95437 -74.70114 535.26027
4740.0000 -76.62827 -74.16993 2.45833 1.96772 -74.56667 576.47997
4745.0000 -76.70925 -74.06419 2.64506 2.04813 -73.75612 647.97410
4750.0000 -76.27420 -73.66487 2.60933 2.05724 -73.66429 687.27638
FREEZING PROCESS: loop number 20 T-loop= 603.00000000000000
main_MD> interactions number 20 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75374 1.81946 -0.03311
force_rgl> df(natom) 0.30966 -0.76187 4.00544
4755.0000 -76.36494 -72.45018 3.91476 2.04954 -73.74195 653.89192
4760.0000 -76.07792 -74.01538 2.06253 2.09727 -73.26086 702.08935
4765.0000 -76.43896 -73.80118 2.63778 2.02051 -74.03450 623.76330
4770.0000 -77.03657 -74.75334 2.28323 1.97463 -74.49702 590.11757
4775.0000 -76.27371 -73.75891 2.51480 2.01247 -74.11555 606.70737
4780.0000 -76.83520 -74.02237 2.81283 2.03820 -73.85623 643.76425
4785.0000 -76.12225 -74.41697 1.70528 2.02075 -74.03209 651.33011
4790.0000 -76.03564 -73.56561 2.47003 2.01099 -74.13054 618.00306
4795.0000 -77.18875 -74.27549 2.91326 2.01838 -74.05602 629.45197
4800.0000 -76.57936 -74.30622 2.27314 2.00763 -74.16438 606.34403
4805.0000 -76.51306 -73.58054 2.93252 2.04068 -73.83128 647.33161
4810.0000 -76.20955 -74.35911 1.85044 2.01161 -74.12420 609.82245
4815.0000 -76.61212 -74.02091 2.59121 2.03686 -73.86974 642.64571
4820.0000 -77.42186 -75.12653 2.29532 1.98320 -74.41059 582.30484
4825.0000 -76.43274 -74.63799 1.79475 1.91694 -75.07846 513.06747
4830.0000 -76.97751 -74.82776 2.14975 1.97805 -74.46249 583.83782
4835.0000 -76.71304 -74.44464 2.26840 1.93955 -74.85052 545.61026
4840.0000 -77.02782 -75.14424 1.88358 1.92774 -74.96956 537.06054
4845.0000 -77.37972 -75.07276 2.30695 1.90077 -75.24141 506.67597
4850.0000 -77.42382 -74.68210 2.74172 1.99033 -74.33872 605.35584
4855.0000 -76.74076 -74.08100 2.65976 1.99229 -74.31898 632.71695
4860.0000 -76.34763 -73.39960 2.94803 2.04724 -73.76513 653.73348
4865.0000 -77.03730 -74.34407 2.69323 2.04700 -73.76750 691.49901
4870.0000 -76.65654 -74.37233 2.28421 1.98244 -74.41827 566.56973
4875.0000 -76.76639 -74.39326 2.37313 1.95607 -74.68402 553.47498
4880.0000 -75.80342 -72.92123 2.88219 2.04324 -73.80543 626.57171
4885.0000 -76.69777 -73.82924 2.86854 2.06031 -73.63337 658.30234
4890.0000 -76.27111 -74.17422 2.09689 2.05592 -73.67760 666.51905
4895.0000 -76.76643 -73.99322 2.77321 2.02355 -74.00390 622.45995
4900.0000 -77.38482 -75.30306 2.08176 1.93462 -74.90029 563.01638
4905.0000 -77.26381 -75.03907 2.22474 1.90067 -75.24244 511.77876
4910.0000 -76.68584 -74.04944 2.63639 1.96848 -74.55896 570.69747
4915.0000 -75.98248 -73.83629 2.14619 2.03840 -73.85424 614.19724
4920.0000 -76.77289 -74.56028 2.21261 2.04848 -73.75258 639.95758
4925.0000 -77.13263 -74.82268 2.30995 1.97574 -74.48580 583.31368
4930.0000 -76.31023 -73.65179 2.65844 2.01907 -74.04904 639.84626
4935.0000 -76.87939 -74.51693 2.36246 2.04897 -73.74770 626.53769
4940.0000 -75.86837 -73.50889 2.35948 2.02439 -73.99539 592.76843
4945.0000 -76.15991 -73.26241 2.89750 2.03297 -73.90899 635.92318
4950.0000 -76.08187 -73.47507 2.60680 2.07648 -73.47043 639.62402
4955.0000 -77.32915 -74.86596 2.46318 2.05120 -73.72524 643.78774
4960.0000 -77.12030 -75.33874 1.78156 1.91659 -75.08194 506.47947
4965.0000 -77.59623 -75.30850 2.28773 1.88005 -75.45027 485.11288
4970.0000 -77.26502 -74.88261 2.38241 1.94007 -74.84531 577.68640
4975.0000 -77.16793 -75.10684 2.06110 1.91870 -75.06071 534.08622
4980.0000 -77.02426 -74.88318 2.14108 1.89825 -75.26681 503.46117
4985.0000 -76.67370 -74.32789 2.34581 1.94713 -74.77418 526.24935
4990.0000 -77.17426 -74.49759 2.67668 1.98438 -74.39873 566.83857
4995.0000 -76.50813 -73.83020 2.67793 2.01426 -74.09757 616.42556
5000.0000 -76.36481 -74.02040 2.34441 1.99916 -74.24976 590.15615
FREEZING PROCESS: loop number 21 T-loop= 578.00000000000000
main_MD> interactions number 21 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84955 -0.70547 3.55207
force_rgl> df(natom) -0.00794 0.08998 0.44244
5005.0000 -77.51475 -74.60792 2.90682 1.99685 -74.27298 582.58309
5010.0000 -77.46497 -75.33402 2.13095 1.94712 -74.77428 533.39132
5015.0000 -77.29114 -74.92322 2.36792 1.97169 -74.52662 581.49576
5020.0000 -77.25553 -74.75099 2.50454 1.92107 -75.03680 538.77689
5025.0000 -76.87679 -75.02170 1.85509 1.91143 -75.13402 536.91913
5030.0000 -77.04037 -74.74939 2.29098 1.93187 -74.92799 528.26038
5035.0000 -76.28987 -74.07107 2.21879 1.96593 -74.58468 548.99804
5040.0000 -76.72770 -74.59077 2.13693 1.97756 -74.46746 572.48289
5045.0000 -77.02395 -74.55111 2.47284 1.94773 -74.76807 547.67383
5050.0000 -77.08767 -74.28745 2.80022 1.97617 -74.48142 575.81278
5055.0000 -76.54420 -74.17997 2.36423 1.99450 -74.29670 598.43034
5060.0000 -77.24678 -75.13734 2.10944 1.95535 -74.69133 504.95485
5065.0000 -75.64591 -73.77959 1.86632 1.98667 -74.37562 546.24103
5070.0000 -76.63084 -74.32427 2.30657 2.03528 -73.88571 602.33005
5075.0000 -76.98100 -74.58091 2.40010 1.93734 -74.87286 564.08435
5080.0000 -77.55407 -74.47906 3.07501 1.94947 -74.75059 553.64803
5085.0000 -77.34647 -74.60587 2.74060 1.92659 -74.98115 536.08033
5090.0000 -77.44300 -75.52219 1.92081 1.93619 -74.88443 536.53084
5095.0000 -77.16778 -74.79176 2.37602 1.90148 -75.23431 505.02176
5100.0000 -76.65078 -74.83687 1.81390 1.95014 -74.74379 553.60016
5105.0000 -77.76804 -74.78462 2.98342 1.94081 -74.83788 554.96405
5110.0000 -76.94283 -74.59709 2.34573 1.96501 -74.59395 576.64539
5115.0000 -76.39817 -74.05210 2.34607 2.00099 -74.23130 618.45043
5120.0000 -77.95327 -75.92141 2.03186 1.90730 -75.17558 509.99725
5125.0000 -76.78746 -74.42498 2.36248 1.91468 -75.10127 516.19560
5130.0000 -76.91524 -74.45646 2.45878 2.01290 -74.11127 622.49963
5135.0000 -76.82013 -74.64175 2.17838 1.96603 -74.58363 606.11940
5140.0000 -77.19269 -75.36123 1.83145 1.90197 -75.22939 517.38872
5145.0000 -76.40024 -73.63472 2.76552 1.95733 -74.67136 563.25280
5150.0000 -76.93079 -73.37074 3.56004 2.08204 -73.41431 700.32004
5155.0000 -76.78870 -74.09869 2.69001 2.11023 -73.13020 681.30882
5160.0000 -77.63876 -75.10892 2.52984 1.96647 -74.57920 588.54146
5165.0000 -77.32727 -74.91431 2.41296 1.93167 -74.93001 531.33597
5170.0000 -76.93974 -74.97891 1.96083 1.93333 -74.91325 548.57829
5175.0000 -77.59051 -75.56362 2.02689 1.88715 -75.37875 497.62797
5180.0000 -76.85401 -74.24292 2.61109 1.90246 -75.22444 516.31601
5185.0000 -76.79323 -74.35645 2.43678 2.03219 -73.91680 617.89316
5190.0000 -77.11493 -75.28236 1.83257 1.98811 -74.36107 589.25940
5195.0000 -77.34968 -74.70109 2.64859 1.93080 -74.93871 563.45735
5200.0000 -76.51644 -74.16192 2.35452 1.96193 -74.62503 576.50427
5205.0000 -76.27210 -74.18991 2.08218 1.99307 -74.31115 576.49299
5210.0000 -76.44658 -73.93946 2.50711 2.02492 -73.99009 587.84250
5215.0000 -76.33834 -73.72309 2.61525 2.06019 -73.63463 651.93412
5220.0000 -76.73778 -74.24595 2.49183 2.01092 -74.13125 595.58664
5225.0000 -77.36466 -75.26568 2.09898 1.98107 -74.43205 602.23700
5230.0000 -77.42208 -74.95405 2.46803 1.91356 -75.11248 515.92261
5235.0000 -77.15295 -74.98185 2.17110 1.93107 -74.93605 544.55775
5240.0000 -76.94503 -74.80820 2.13682 1.95304 -74.71463 560.65715
5245.0000 -77.22850 -74.68657 2.54193 1.93230 -74.92366 531.66135
5250.0000 -76.74485 -74.96329 1.78156 1.94346 -74.81117 547.43892
FREEZING PROCESS: loop number 22 T-loop= 553.00000000000000
main_MD> interactions number 22 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63144 1.16481 0.37171
force_rgl> df(natom) -1.19150 -1.12289 -1.22420
5255.0000 -77.26574 -74.75919 2.50654 1.95788 -74.66579 567.20943
5260.0000 -77.11547 -75.13147 1.98400 1.93073 -74.93948 524.22415
5265.0000 -77.33541 -75.18876 2.14665 1.91869 -75.06079 523.87006
5270.0000 -76.96424 -74.57517 2.38907 1.96016 -74.64283 534.93428
5275.0000 -77.29936 -75.06348 2.23588 1.93087 -74.93808 522.96402
5280.0000 -77.17143 -74.61878 2.55264 1.95408 -74.70406 570.22453
5285.0000 -77.27716 -74.76640 2.51076 1.97646 -74.47854 601.08828
5290.0000 -77.09631 -75.08444 2.01187 1.95288 -74.71618 557.89308
5295.0000 -77.09055 -74.80913 2.28142 1.90873 -75.16117 540.56351
5300.0000 -77.06668 -74.83795 2.22873 1.93056 -74.94115 553.38547
5305.0000 -77.45629 -75.35091 2.10539 1.88701 -75.38014 506.68315
5310.0000 -77.56137 -75.36585 2.19552 1.86018 -75.65058 483.64201
5315.0000 -76.87186 -74.34122 2.53063 1.92270 -75.02042 531.11061
5320.0000 -76.00601 -74.13671 1.86930 1.99852 -74.25618 606.60354
5325.0000 -76.41662 -74.39340 2.02321 1.97239 -74.51954 583.10411
5330.0000 -77.43626 -74.81518 2.62108 1.95393 -74.70566 554.42779
5335.0000 -77.92492 -75.35117 2.57375 1.92377 -75.00961 547.72610
5340.0000 -77.41891 -75.56176 1.85715 1.88066 -75.44411 486.77968
5345.0000 -77.46727 -75.32853 2.13873 1.90127 -75.23643 503.01378
5350.0000 -77.43619 -75.49442 1.94177 1.88908 -75.35923 514.24763
5355.0000 -76.95743 -75.35479 1.60264 1.88711 -75.37913 490.82695
5360.0000 -76.50968 -74.31070 2.19897 1.94339 -74.81186 522.86442
5365.0000 -76.83967 -74.30493 2.53475 1.99342 -74.30754 589.32471
5370.0000 -77.00600 -74.62760 2.37840 1.98230 -74.41963 574.16133
5375.0000 -76.35543 -73.98556 2.36987 1.97708 -74.47232 561.25280
5380.0000 -77.03364 -74.87475 2.15888 1.97880 -74.45492 566.63427
5385.0000 -77.05754 -74.82887 2.22867 1.93306 -74.91600 543.87715
5390.0000 -76.91551 -74.80763 2.10789 1.94983 -74.74699 563.25538
5395.0000 -76.82865 -74.62357 2.20508 1.97292 -74.51421 572.72674
5400.0000 -76.54396 -74.98272 1.56123 1.98333 -74.40930 590.81886
5405.0000 -76.94452 -74.47524 2.46928 1.94549 -74.79066 551.50479
5410.0000 -77.41831 -74.93756 2.48076 1.98156 -74.42716 613.02243
5415.0000 -76.70017 -74.51849 2.18168 1.98886 -74.35355 623.42822
5420.0000 -76.62307 -74.67407 1.94899 1.98246 -74.41804 594.13694
5425.0000 -77.00898 -74.45020 2.55878 1.96001 -74.64429 574.23767
5430.0000 -76.99180 -74.84433 2.14746 1.91476 -75.10046 539.42550
5435.0000 -77.19383 -75.44651 1.74732 1.91327 -75.11542 503.44498
5440.0000 -76.67987 -73.93356 2.74631 1.96488 -74.59525 558.48150
5445.0000 -77.00176 -74.91482 2.08695 1.95063 -74.73890 557.44482
5450.0000 -76.80753 -74.82594 1.98160 1.94329 -74.81284 557.71782
5455.0000 -77.16638 -74.61699 2.54939 1.95614 -74.68339 589.55322
5460.0000 -77.19382 -75.41226 1.78156 1.91638 -75.08406 510.44034
5465.0000 -77.13036 -74.84266 2.28770 1.91218 -75.12645 504.06146
5470.0000 -77.30428 -74.08459 3.21969 1.96350 -74.60920 547.95286
5475.0000 -76.42800 -74.61186 1.81614 1.97187 -74.52481 543.50264
5480.0000 -76.64714 -74.21133 2.43581 1.98617 -74.38069 584.42591
5485.0000 -76.70057 -73.77570 2.92487 1.99427 -74.29903 595.82824
5490.0000 -77.30099 -75.07722 2.22377 1.94994 -74.74582 554.96708
5495.0000 -77.47623 -75.13783 2.33840 1.93656 -74.88068 562.78338
5500.0000 -76.83899 -74.51856 2.32043 1.93347 -74.91187 550.05082
FREEZING PROCESS: loop number 23 T-loop= 528.00000000000000
main_MD> interactions number 23 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20024 -4.81328 -0.98745
force_rgl> df(natom) 0.36040 0.21576 1.26911
5505.0000 -76.80233 -74.61018 2.19215 1.96863 -74.55742 540.38582
5510.0000 -76.61373 -73.79599 2.81774 1.97665 -74.47662 592.97868
5515.0000 -77.31604 -74.66833 2.64771 1.99575 -74.28407 608.27681
5520.0000 -77.55705 -75.03607 2.52097 1.95412 -74.70372 560.81864
5525.0000 -77.31668 -75.39979 1.91689 1.89727 -75.27673 478.56472
5530.0000 -77.30819 -74.91008 2.39811 1.91911 -75.05658 525.08253
5535.0000 -76.62406 -74.73825 1.88580 1.94858 -74.75954 530.93865
5540.0000 -77.81562 -75.26755 2.54807 1.89910 -75.25823 513.46116
5545.0000 -77.39701 -75.18020 2.21680 1.91369 -75.11125 523.41550
5550.0000 -76.77489 -75.02419 1.75070 1.89512 -75.29844 516.62210
5555.0000 -76.39578 -74.00076 2.39502 1.97299 -74.51353 528.65208
5560.0000 -77.44015 -74.80000 2.64015 1.94823 -74.76306 554.89461
5565.0000 -76.88632 -74.52242 2.36390 1.96890 -74.55473 594.67292
5570.0000 -76.86431 -74.07258 2.79173 2.02857 -73.95325 634.68436
5575.0000 -76.89057 -74.32249 2.56808 2.02301 -74.00929 591.86649
5580.0000 -76.72471 -74.73290 1.99180 1.96879 -74.55581 534.99874
5585.0000 -77.11037 -75.07750 2.03287 1.92386 -75.00868 508.55931
5590.0000 -77.15356 -75.26919 1.88437 1.91584 -75.08954 511.40336
5595.0000 -77.66196 -75.28237 2.37960 1.90730 -75.17566 498.93551
5600.0000 -76.83718 -74.42976 2.40742 1.96511 -74.59297 582.06357
5605.0000 -77.22275 -74.83964 2.38310 1.99018 -74.34019 605.29137
5610.0000 -77.54614 -75.84225 1.70389 1.90080 -75.24115 521.87007
5615.0000 -76.97418 -74.90626 2.06793 1.90659 -75.18275 517.95894
5620.0000 -77.02218 -74.92197 2.10021 1.94944 -74.75092 525.44218
5625.0000 -76.80757 -74.33828 2.46928 1.92436 -75.00364 528.49775
5630.0000 -77.17041 -75.27555 1.89486 1.93347 -74.91184 541.26413
5635.0000 -77.21269 -75.12483 2.08786 1.90918 -75.15666 523.76266
5640.0000 -76.89405 -75.29621 1.59784 1.88418 -75.40864 489.06783
5645.0000 -77.73145 -74.89701 2.83444 1.90576 -75.19117 500.54143
5650.0000 -76.95746 -74.60371 2.35375 1.91549 -75.09309 530.44887
5655.0000 -77.29191 -75.07105 2.22086 1.94564 -74.78919 574.24134
5660.0000 -77.70998 -75.69080 2.01917 1.88615 -75.38884 502.47458
5665.0000 -76.82773 -73.95941 2.86831 1.94126 -74.83333 578.95803
5670.0000 -76.52527 -73.91299 2.61228 2.02314 -74.00807 637.40901
5675.0000 -76.85019 -74.34263 2.50755 2.02672 -73.97190 614.46348
5680.0000 -76.99291 -74.88323 2.10969 1.98513 -74.39118 567.27693
5685.0000 -76.99144 -74.89230 2.09914 1.90162 -75.23288 490.93115
5690.0000 -77.02297 -74.54157 2.48141 1.94765 -74.76897 550.72092
5695.0000 -77.22351 -75.57082 1.65269 1.94298 -74.81599 546.84176
5700.0000 -77.54169 -75.19707 2.34462 1.88650 -75.38530 504.77033
5705.0000 -77.22574 -75.21689 2.00885 1.90826 -75.16597 500.22188
5710.0000 -77.27126 -75.17569 2.09556 1.88723 -75.37794 503.08439
5715.0000 -77.69874 -75.54935 2.14939 1.87363 -75.51501 480.50830
5720.0000 -77.40057 -75.55444 1.84613 1.88513 -75.39910 494.50575
5725.0000 -77.19927 -75.42136 1.77791 1.86894 -75.56226 467.04146
5730.0000 -78.04404 -76.18959 1.85445 1.83974 -75.85655 441.83491
5735.0000 -77.44722 -75.55638 1.89084 1.88864 -75.36374 513.65089
5740.0000 -77.84250 -75.14802 2.69448 1.90886 -75.15988 519.04207
5745.0000 -77.12221 -74.78922 2.33299 1.92974 -74.94946 530.67381
5750.0000 -77.54584 -75.73884 1.80700 1.90438 -75.20501 492.26257
FREEZING PROCESS: loop number 24 T-loop= 503.00000000000000
main_MD> interactions number 24 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72678 0.73623 -1.26101
force_rgl> df(natom) -0.11380 -0.97449 4.00793
5755.0000 -77.42247 -75.02392 2.39855 1.90921 -75.15639 525.71594
5760.0000 -77.29866 -75.79316 1.50550 1.88341 -75.41645 505.74315
5765.0000 -77.68782 -75.81376 1.87406 1.83802 -75.87395 447.24245
5770.0000 -77.37413 -75.51765 1.85647 1.87333 -75.51803 516.61707
5775.0000 -77.20868 -74.82221 2.38647 1.89410 -75.30863 508.05999
5780.0000 -77.46473 -75.22980 2.23493 1.93945 -74.85161 532.01533
5785.0000 -77.26928 -75.11309 2.15618 1.90431 -75.20576 530.27051
5790.0000 -77.02337 -74.75658 2.26679 1.95660 -74.67868 538.29941
5795.0000 -76.90895 -74.87464 2.03431 1.94299 -74.81589 525.59476
5800.0000 -77.30166 -75.04100 2.26065 1.91578 -75.09010 526.69373
5805.0000 -77.91861 -75.90972 2.00889 1.87884 -75.46248 483.30571
5810.0000 -77.65230 -75.16890 2.48340 1.89766 -75.27282 503.97570
5815.0000 -77.35230 -75.04055 2.31176 1.94469 -74.79873 538.77832
5820.0000 -77.65197 -75.50214 2.14983 1.91179 -75.13034 549.18856
5825.0000 -77.12233 -74.85667 2.26567 1.92970 -74.94986 526.00916
5830.0000 -77.67425 -75.36328 2.31096 1.87507 -75.50047 450.21054
5835.0000 -77.49999 -75.67972 1.82027 1.87552 -75.49590 482.76239
5840.0000 -78.13088 -76.37078 1.76010 1.83324 -75.92207 434.55279
5845.0000 -78.28979 -76.41141 1.87839 1.78679 -76.39033 410.76122
5850.0000 -77.65775 -75.34592 2.31183 1.83498 -75.90459 467.43658
5855.0000 -77.43234 -75.46077 1.97157 1.89514 -75.29818 515.06503
5860.0000 -77.37712 -75.31716 2.05996 1.90828 -75.16577 522.99588
5865.0000 -77.33785 -75.68388 1.65398 1.88432 -75.40720 509.72115
5870.0000 -77.13403 -74.48949 2.64454 1.91442 -75.10383 543.77705
5875.0000 -77.04644 -74.93353 2.11291 1.91124 -75.13589 523.93853
5880.0000 -76.77886 -74.76017 2.01869 1.94464 -74.79921 552.29766
5885.0000 -77.18666 -74.36716 2.81951 1.94806 -74.76479 545.29733
5890.0000 -76.83489 -74.55388 2.28101 1.99483 -74.29334 600.70859
5895.0000 -76.94080 -74.46285 2.47795 1.97582 -74.48498 559.79874
5900.0000 -76.93005 -75.06625 1.86380 1.93334 -74.91311 531.30452
5905.0000 -77.77642 -75.88889 1.88753 1.88545 -75.39581 496.68132
5910.0000 -77.51851 -75.59657 1.92194 1.86090 -75.64328 474.31977
5915.0000 -77.19687 -74.93416 2.26270 1.88361 -75.41436 513.03682
5920.0000 -76.79533 -75.25198 1.54335 1.88117 -75.43898 472.79784
5925.0000 -77.75870 -75.63124 2.12746 1.91048 -75.14358 503.62845
5930.0000 -77.40205 -74.06828 3.33377 1.90393 -75.20964 513.39551
5935.0000 -76.53675 -74.08923 2.44752 2.01934 -74.04631 613.28660
5940.0000 -77.08308 -75.13566 1.94741 1.96304 -74.61384 557.99811
5945.0000 -77.50070 -75.57848 1.92222 1.88325 -75.41807 482.11815
5950.0000 -77.22175 -74.88592 2.33583 1.91383 -75.10981 525.36447
5955.0000 -77.39819 -75.29436 2.10382 1.91189 -75.12933 511.83758
5960.0000 -77.40201 -75.38667 2.01534 1.91924 -75.05531 523.61894
5965.0000 -77.19470 -75.23148 1.96322 1.89901 -75.25918 513.98054
5970.0000 -78.07892 -75.77213 2.30679 1.86108 -75.64149 461.22701
5975.0000 -77.53028 -75.26661 2.26367 1.86422 -75.60985 482.27230
5980.0000 -77.38086 -75.70583 1.67502 1.87851 -75.46577 478.04711
5985.0000 -77.55477 -75.47523 2.07954 1.84935 -75.75977 446.60943
5990.0000 -77.48753 -75.15352 2.33401 1.89582 -75.29133 524.28237
5995.0000 -77.61506 -75.99311 1.62195 1.86076 -75.64476 494.94663
6000.0000 -77.29403 -75.26849 2.02554 1.83981 -75.85584 464.02711
FREEZING PROCESS: loop number 25 T-loop= 478.00000000000000
main_MD> interactions number 25 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67978 -0.14993 3.60644
force_rgl> df(natom) -0.40519 3.04749 -1.62786
6005.0000 -77.29971 -75.23225 2.06747 1.90050 -75.24421 485.92226
6010.0000 -77.59021 -75.13213 2.45808 1.88198 -75.43085 496.53162
6015.0000 -77.77485 -76.12497 1.64988 1.88542 -75.39616 483.57355
6020.0000 -78.03569 -76.41305 1.62264 1.79922 -76.26496 403.71687
6025.0000 -77.86071 -75.84893 2.01178 1.85145 -75.73857 455.16262
6030.0000 -77.49767 -75.67479 1.82288 1.82611 -75.99399 430.48952
6035.0000 -77.71295 -75.34018 2.37276 1.87952 -75.45566 483.21045
6040.0000 -77.01798 -75.12198 1.89600 1.91425 -75.10552 534.65664
6045.0000 -77.36123 -75.36722 1.99401 1.90953 -75.15313 553.17053
6050.0000 -76.91823 -74.52633 2.39190 1.93979 -74.84812 563.97494
6055.0000 -77.09854 -75.29990 1.79865 1.95937 -74.65074 582.95588
6060.0000 -77.71908 -75.77285 1.94623 1.90059 -75.24325 539.73228
6065.0000 -77.75596 -75.96331 1.79265 1.87205 -75.53091 494.75820
6070.0000 -77.95075 -75.62567 2.32508 1.83269 -75.92767 439.14619
6075.0000 -76.90162 -74.75924 2.14238 1.88288 -75.42180 474.44519
6080.0000 -77.30082 -75.80492 1.49590 1.90557 -75.19308 517.08430
6085.0000 -77.71051 -75.58610 2.12441 1.83242 -75.93040 444.20063
6090.0000 -78.06124 -76.02636 2.03488 1.85485 -75.70428 442.43186
6095.0000 -77.79282 -75.74096 2.05185 1.86095 -75.64280 465.54593
6100.0000 -77.91658 -75.95742 1.95915 1.82997 -75.95508 452.69340
6105.0000 -77.75539 -75.73264 2.02275 1.84946 -75.75860 469.77851
6110.0000 -76.70068 -75.12175 1.57893 1.86651 -75.58675 459.44747
6115.0000 -77.66717 -75.85932 1.80784 1.86708 -75.58103 462.96985
6120.0000 -77.81056 -75.95042 1.86014 1.82506 -76.00456 436.96692
6125.0000 -77.76954 -75.44426 2.32528 1.87486 -75.50262 493.75926
6130.0000 -77.56091 -75.59582 1.96509 1.89568 -75.29278 500.93214
6135.0000 -77.91048 -75.13515 2.77533 1.87320 -75.51936 469.84114
6140.0000 -76.72848 -75.17157 1.55691 1.91035 -75.14490 515.09663
6145.0000 -77.05061 -75.25326 1.79735 1.92949 -74.95193 516.16700
6150.0000 -77.72571 -75.21551 2.51020 1.90615 -75.18718 516.95838
6155.0000 -77.51383 -75.20658 2.30725 1.89996 -75.24959 496.14412
6160.0000 -77.53373 -76.02420 1.50953 1.86937 -75.55795 487.44161
6165.0000 -77.76057 -75.88295 1.87762 1.82969 -75.95784 444.85735
6170.0000 -76.88990 -75.10640 1.78350 1.85845 -75.66803 469.74409
6175.0000 -76.87417 -75.18218 1.69199 1.90283 -75.22070 515.30177
6180.0000 -77.50912 -75.43696 2.07216 1.87324 -75.51895 500.08884
6185.0000 -78.25952 -76.18037 2.07915 1.87209 -75.53048 451.02362
6190.0000 -78.03646 -76.34476 1.69169 1.77703 -76.48861 388.83129
6195.0000 -77.20881 -74.90235 2.30645 1.87787 -75.47226 495.40575
6200.0000 -77.57881 -75.32709 2.25172 1.90446 -75.20430 506.51093
6205.0000 -77.55800 -74.99938 2.55862 1.91227 -75.12549 514.50944
6210.0000 -77.78612 -75.74549 2.04063 1.89039 -75.34610 491.69705
6215.0000 -77.62123 -75.60977 2.01146 1.84931 -75.76014 457.84217
6220.0000 -77.38452 -75.96001 1.42452 1.83183 -75.93628 428.74106
6225.0000 -77.45791 -75.20853 2.24938 1.86419 -75.61011 444.22535
6230.0000 -77.19629 -75.46137 1.73492 1.88653 -75.38502 480.48684
6235.0000 -76.83220 -74.87182 1.96038 1.90884 -75.16014 485.47685
6240.0000 -77.40097 -75.41674 1.98423 1.90047 -75.24442 519.75445
6245.0000 -77.21873 -75.00000 2.21873 1.90732 -75.17539 533.33925
6250.0000 -76.57543 -74.83321 1.74221 1.94296 -74.81619 549.65797
FREEZING PROCESS: loop number 26 T-loop= 453.00000000000000
main_MD> interactions number 26 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56995 4.27463 -2.00622
force_rgl> df(natom) 2.79090 0.65763 1.55654
6255.0000 -77.71053 -75.79191 1.91863 1.89295 -75.32027 464.97532
6260.0000 -77.91120 -75.97334 1.93785 1.85984 -75.65398 446.08777
6265.0000 -76.88436 -75.07612 1.80824 1.90022 -75.24698 499.79444
6270.0000 -77.67605 -75.86842 1.80763 1.85887 -75.66378 438.36664
6275.0000 -77.70478 -75.76668 1.93810 1.86117 -75.64056 480.01419
6280.0000 -78.00525 -76.21424 1.79101 1.80200 -76.23698 413.54148
6285.0000 -77.65659 -75.88754 1.76905 1.80067 -76.25038 402.04769
6290.0000 -77.31685 -75.25121 2.06564 1.84882 -75.76509 450.54869
6295.0000 -77.50457 -75.51704 1.98753 1.89022 -75.34777 517.96427
6300.0000 -77.88082 -75.89039 1.99043 1.85894 -75.66305 481.64710
6305.0000 -77.89642 -76.30162 1.59480 1.83278 -75.92675 443.37185
6310.0000 -77.96555 -76.47241 1.49314 1.78847 -76.37333 400.93357
6315.0000 -78.09059 -76.42582 1.66477 1.78943 -76.36365 408.24518
6320.0000 -77.71984 -75.49786 2.22198 1.83401 -75.91439 448.55057
6325.0000 -77.32989 -75.73452 1.59537 1.88225 -75.42812 509.31450
6330.0000 -77.40750 -75.31082 2.09668 1.85614 -75.69132 480.56746
6335.0000 -77.36108 -75.32294 2.03814 1.90237 -75.22529 506.31242
6340.0000 -77.97174 -76.37538 1.59636 1.82897 -75.96515 446.83154
6345.0000 -78.26364 -76.78247 1.48117 1.75718 -76.68872 373.00334
6350.0000 -78.23603 -76.62490 1.61112 1.76000 -76.66033 355.74332
6355.0000 -77.22258 -75.46658 1.75600 1.82736 -75.98137 426.52940
6360.0000 -78.09917 -76.75936 1.33981 1.81902 -76.06540 446.50010
6365.0000 -77.91640 -76.02899 1.88740 1.77341 -76.52513 397.44570
6370.0000 -77.43441 -75.57850 1.85590 1.86480 -75.60400 494.05060
6375.0000 -77.18822 -75.36823 1.82000 1.88215 -75.42914 498.18587
6380.0000 -77.46528 -75.84945 1.61583 1.86067 -75.64557 462.80579
6385.0000 -77.21625 -75.08432 2.13193 1.85727 -75.67992 457.27904
6390.0000 -77.57222 -75.40065 2.17157 1.89625 -75.28698 484.05151
6395.0000 -77.82826 -75.99986 1.82840 1.88929 -75.35713 488.21684
6400.0000 -77.65726 -75.70677 1.95049 1.82178 -76.03758 429.77534
6405.0000 -77.56784 -75.93911 1.62873 1.84649 -75.78853 460.92153
6410.0000 -77.70423 -75.74105 1.96318 1.84732 -75.78023 452.94981
6415.0000 -77.75117 -75.76830 1.98287 1.84814 -75.77193 454.88438
6420.0000 -77.63973 -75.83170 1.80803 1.85116 -75.74149 451.86917
6425.0000 -78.02287 -76.26369 1.75918 1.82838 -75.97106 436.69131
6430.0000 -77.81616 -76.23240 1.58376 1.81096 -76.14670 429.19321
6435.0000 -78.06868 -76.07679 1.99189 1.81870 -76.06867 443.35063
6440.0000 -77.47309 -75.63966 1.83343 1.83909 -75.86316 471.03329
6445.0000 -77.55899 -75.74401 1.81498 1.85304 -75.72254 457.48952
6450.0000 -77.84616 -76.07228 1.77388 1.83200 -75.93458 455.53779
6455.0000 -78.29460 -76.56193 1.73266 1.76867 -76.57295 382.08421
6460.0000 -77.42205 -75.90565 1.51640 1.82787 -75.97619 432.48246
6465.0000 -77.81091 -76.03690 1.77401 1.82448 -76.01042 442.08032
6470.0000 -77.87579 -75.26106 2.61473 1.85628 -75.68986 443.44104
6475.0000 -77.42722 -75.73269 1.69453 1.87502 -75.50102 486.55456
6480.0000 -77.39265 -75.41959 1.97305 1.87167 -75.53476 489.21341
6485.0000 -77.30469 -75.24413 2.06056 1.91381 -75.11001 510.87733
6490.0000 -77.19372 -75.32053 1.87319 1.91952 -75.05247 508.23806
6495.0000 -77.72979 -75.79053 1.93925 1.83833 -75.87075 433.14019
6500.0000 -77.61724 -75.37090 2.24634 1.87416 -75.50970 487.14226
FREEZING PROCESS: loop number 27 T-loop= 428.00000000000000
main_MD> interactions number 27 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26098 -0.09512 2.78670
force_rgl> df(natom) 1.83182 0.20395 1.62251
6505.0000 -77.80565 -75.92129 1.88436 1.85874 -75.66506 469.36059
6510.0000 -77.86822 -75.94142 1.92680 1.83690 -75.88516 460.99667
6515.0000 -78.16579 -76.30143 1.86436 1.84297 -75.82405 463.20555
6520.0000 -77.82702 -76.16418 1.66284 1.79382 -76.31939 408.46942
6525.0000 -77.45619 -75.99374 1.46245 1.82583 -75.99680 433.13461
6530.0000 -77.61756 -75.91776 1.69980 1.80237 -76.23321 407.03968
6535.0000 -77.82961 -76.31872 1.51089 1.83099 -75.94480 449.12202
6540.0000 -78.15330 -76.18688 1.96642 1.78811 -76.37700 403.98884
6545.0000 -77.52105 -75.54343 1.97762 1.85341 -75.71877 476.55795
6550.0000 -78.16919 -76.43257 1.73662 1.84293 -75.82443 447.12217
6555.0000 -77.95701 -76.44467 1.51235 1.81176 -76.13858 413.38962
6560.0000 -77.79336 -76.02616 1.76720 1.80292 -76.22766 393.52539
6565.0000 -77.74700 -75.79279 1.95421 1.82955 -75.95931 422.33515
6570.0000 -78.03226 -75.79256 2.23970 1.86088 -75.64355 437.23865
6575.0000 -77.85494 -75.99626 1.85867 1.84439 -75.80976 449.76481
6580.0000 -78.18096 -76.86249 1.31847 1.78103 -76.44833 396.74464
6585.0000 -77.74927 -76.26536 1.48391 1.79651 -76.29228 408.10417
6590.0000 -78.10077 -75.71674 2.38402 1.83177 -75.93693 454.52965
6595.0000 -77.97862 -76.11960 1.85903 1.84096 -75.84426 459.29825
6600.0000 -77.54074 -75.55693 1.98381 1.83345 -75.91999 455.90219
6605.0000 -77.77719 -75.80775 1.96944 1.82338 -76.02150 449.23681
6610.0000 -77.59548 -75.64687 1.94861 1.85815 -75.67103 481.48334
6615.0000 -77.64917 -75.85745 1.79172 1.83805 -75.87362 463.29901
6620.0000 -78.13466 -76.67613 1.45853 1.78638 -76.39446 396.64743
6625.0000 -78.17454 -76.61596 1.55858 1.78421 -76.41626 382.01092
6630.0000 -77.40141 -75.56583 1.83558 1.82471 -76.00805 438.48986
6635.0000 -77.61847 -75.85761 1.76085 1.86377 -75.61438 472.49509
6640.0000 -77.66829 -75.49847 2.16982 1.90532 -75.19560 514.09808
6645.0000 -77.58093 -75.65597 1.92496 1.86690 -75.58286 473.90046
6650.0000 -76.99914 -75.34218 1.65696 1.85513 -75.70142 435.70779
6655.0000 -77.21967 -75.10609 2.11358 1.91872 -75.06048 491.36605
6660.0000 -77.93853 -76.08414 1.85439 1.85491 -75.70366 468.38788
6665.0000 -78.33427 -76.37073 1.96353 1.82961 -75.95872 445.06110
6670.0000 -78.03388 -76.17208 1.86181 1.79628 -76.29467 404.98371
6675.0000 -78.00205 -76.39179 1.61026 1.79731 -76.28427 394.91623
6680.0000 -77.92671 -76.26274 1.66396 1.81583 -76.09756 404.67303
6685.0000 -78.04198 -76.48264 1.55934 1.75563 -76.70439 332.32102
6690.0000 -77.93455 -76.27501 1.65954 1.80796 -76.17691 401.20145
6695.0000 -77.64840 -75.79000 1.85840 1.79691 -76.28828 389.00895
6700.0000 -77.49745 -75.80909 1.68835 1.86808 -75.57091 479.39238
6705.0000 -77.91744 -75.97649 1.94094 1.82803 -75.97465 422.40105
6710.0000 -77.88803 -76.16520 1.72283 1.85490 -75.70373 439.50605
6715.0000 -77.68220 -75.78847 1.89373 1.86354 -75.61672 456.41808
6720.0000 -77.52621 -75.86541 1.66080 1.87101 -75.54142 481.79083
6725.0000 -77.62100 -75.83390 1.78710 1.83017 -75.95307 423.40142
6730.0000 -77.48599 -75.46780 2.01819 1.86477 -75.60425 483.69672
6735.0000 -77.58373 -75.81746 1.76627 1.84524 -75.80110 454.13576
6740.0000 -78.15188 -76.69619 1.45570 1.79273 -76.33041 389.58827
6745.0000 -78.05693 -76.24016 1.81677 1.78049 -76.45376 383.57979
6750.0000 -78.06695 -76.36835 1.69860 1.78649 -76.39328 404.04130
FREEZING PROCESS: loop number 28 T-loop= 403.00000000000000
main_MD> interactions number 28 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64043 -0.49551 1.21771
force_rgl> df(natom) -1.36856 0.10841 -1.37325
6755.0000 -78.37722 -77.05776 1.31946 1.73898 -76.87215 336.21644
6760.0000 -78.19175 -76.58684 1.60491 1.75036 -76.75752 360.11926
6765.0000 -78.26543 -76.75990 1.50553 1.75893 -76.67108 362.10269
6770.0000 -78.28144 -76.75276 1.52868 1.75655 -76.69509 371.22186
6775.0000 -78.24492 -76.80693 1.43799 1.77760 -76.48288 380.97912
6780.0000 -78.45722 -77.10901 1.34821 1.75322 -76.72866 347.45496
6785.0000 -77.43672 -75.87719 1.55953 1.76745 -76.58525 358.03805
6790.0000 -77.75753 -76.35642 1.40110 1.81945 -76.06105 415.98967
6795.0000 -78.14094 -76.25047 1.89046 1.79127 -76.34518 394.80915
6800.0000 -78.21368 -76.35943 1.85425 1.80328 -76.22409 419.29543
6805.0000 -77.85281 -75.80919 2.04362 1.81593 -76.09653 430.28355
6810.0000 -78.23082 -75.78559 2.44523 1.87454 -75.50584 501.23060
6815.0000 -77.29530 -75.77921 1.51609 1.84509 -75.80267 464.77413
6820.0000 -77.93448 -76.04707 1.88742 1.81374 -76.11863 420.09567
6825.0000 -78.04980 -76.15780 1.89200 1.81136 -76.14264 417.05418
6830.0000 -78.12098 -76.20138 1.91960 1.81915 -76.06412 417.51352
6835.0000 -78.14118 -76.40651 1.73468 1.83063 -75.94840 450.16324
6840.0000 -77.91757 -76.25359 1.66399 1.79682 -76.28921 411.52516
6845.0000 -77.45845 -76.16819 1.29026 1.80534 -76.20335 423.84584
6850.0000 -78.15380 -76.46715 1.68665 1.80209 -76.23602 415.54283
6855.0000 -78.28109 -76.62401 1.65708 1.78864 -76.37169 408.48720
6860.0000 -78.08543 -76.23127 1.85416 1.81118 -76.14443 423.47456
6865.0000 -77.79119 -75.83402 1.95718 1.80586 -76.19804 427.02131
6870.0000 -78.31319 -76.50245 1.81075 1.81845 -76.07120 423.09372
6875.0000 -77.78823 -76.46658 1.32165 1.76339 -76.62616 379.48077
6880.0000 -77.92844 -76.66365 1.26478 1.76836 -76.57600 382.07006
6885.0000 -78.33715 -76.37099 1.96616 1.78384 -76.42004 403.69780
6890.0000 -78.19781 -76.82598 1.37183 1.76402 -76.61979 377.61263
6895.0000 -78.21790 -76.75298 1.46492 1.75644 -76.69624 364.14142
6900.0000 -78.22790 -76.78314 1.44476 1.73842 -76.87787 358.19212
6905.0000 -78.24109 -76.76458 1.47650 1.73355 -76.92693 354.80409
6910.0000 -78.42754 -76.77872 1.64882 1.76870 -76.57259 372.59952
6915.0000 -77.73823 -75.98571 1.75252 1.78787 -76.37937 384.10375
6920.0000 -78.03886 -76.34275 1.69611 1.80346 -76.22225 418.53319
6925.0000 -78.02772 -76.60849 1.41923 1.79042 -76.35368 412.09516
6930.0000 -77.63713 -75.98978 1.64735 1.81338 -76.12226 408.40918
6935.0000 -78.64657 -76.45141 2.19515 1.80045 -76.25264 425.26204
6940.0000 -78.18700 -76.18661 2.00039 1.80500 -76.20674 427.02132
6945.0000 -78.12617 -76.46142 1.66475 1.77538 -76.50531 380.83113
6950.0000 -78.07376 -76.53518 1.53858 1.76386 -76.62144 389.43045
6955.0000 -77.97884 -76.34301 1.63583 1.77976 -76.46117 399.94404
6960.0000 -78.16649 -76.93703 1.22946 1.75379 -76.72293 360.65005
6965.0000 -77.71752 -76.46514 1.25238 1.77805 -76.47841 389.47630
6970.0000 -78.64690 -76.69062 1.95628 1.75348 -76.72599 359.42076
6975.0000 -78.38783 -76.23956 2.14828 1.79901 -76.26716 422.95529
6980.0000 -77.88819 -76.62368 1.26451 1.75589 -76.70174 370.06218
6985.0000 -78.28022 -76.72825 1.55197 1.77688 -76.49022 386.09652
6990.0000 -78.30340 -76.38094 1.92246 1.77041 -76.55539 376.56849
6995.0000 -78.20890 -76.35190 1.85700 1.77180 -76.54136 378.86998
7000.0000 -77.71811 -75.82947 1.88864 1.82004 -76.05517 434.95497
FREEZING PROCESS: loop number 29 T-loop= 378.00000000000000
main_MD> interactions number 29 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38824 1.63292 0.25924
force_rgl> df(natom) -2.04519 -0.33654 -1.55114
7005.0000 -77.75502 -75.95270 1.80232 1.82502 -76.00493 440.40952
7010.0000 -77.88644 -76.34195 1.54449 1.78758 -76.38234 383.17553
7015.0000 -77.92798 -76.82115 1.10682 1.74791 -76.78217 347.83942
7020.0000 -78.43635 -76.92430 1.51205 1.73115 -76.95108 319.49745
7025.0000 -77.85001 -76.37675 1.47325 1.74456 -76.81591 340.63542
7030.0000 -78.02551 -76.42407 1.60144 1.80122 -76.24481 415.59753
7035.0000 -78.10860 -76.55633 1.55227 1.77067 -76.55276 377.77162
7040.0000 -78.30287 -76.39774 1.90513 1.77075 -76.55201 371.82022
7045.0000 -78.26833 -76.83424 1.43409 1.76417 -76.61830 369.90532
7050.0000 -78.23564 -77.06228 1.17336 1.73856 -76.87638 340.39139
7055.0000 -78.22598 -76.62151 1.60447 1.73361 -76.92633 331.16758
7060.0000 -78.07086 -76.63396 1.43690 1.75504 -76.71032 356.86893
7065.0000 -78.30393 -76.79799 1.50594 1.76123 -76.64791 365.10172
7070.0000 -78.39654 -77.01800 1.37854 1.75748 -76.68568 366.16707
7075.0000 -78.12826 -76.69216 1.43610 1.72769 -76.98596 323.61755
7080.0000 -78.19829 -76.55695 1.64134 1.77768 -76.48210 390.48441
7085.0000 -78.22068 -76.55438 1.66630 1.75636 -76.69701 374.37158
7090.0000 -77.47013 -75.48430 1.98583 1.82642 -75.99080 442.72912
7095.0000 -77.90364 -76.42785 1.47579 1.81890 -76.06662 414.52284
7100.0000 -77.90387 -76.30776 1.59611 1.79915 -76.26568 396.66378
7105.0000 -77.75444 -76.43938 1.31505 1.81439 -76.11207 403.69607
7110.0000 -78.06061 -76.46478 1.59583 1.80965 -76.15989 410.20912
7115.0000 -78.16283 -76.73479 1.42804 1.75780 -76.68244 348.79600
7120.0000 -78.35701 -77.01179 1.34522 1.76181 -76.64207 382.71953
7125.0000 -78.51301 -77.08158 1.43143 1.70691 -77.19540 313.73996
7130.0000 -78.32748 -76.90750 1.41998 1.71386 -77.12537 328.66833
7135.0000 -77.67473 -76.33998 1.33475 1.77796 -76.47931 383.94573
7140.0000 -78.09565 -76.42956 1.66608 1.79052 -76.35267 397.12382
7145.0000 -77.89965 -76.03906 1.86060 1.78575 -76.40072 361.40694
7150.0000 -78.29658 -76.79413 1.50245 1.77811 -76.47779 386.79786
7155.0000 -78.41025 -77.14986 1.26039 1.73519 -76.91041 355.83554
7160.0000 -78.26944 -76.39380 1.87564 1.73723 -76.88984 355.84670
7165.0000 -78.33983 -76.53716 1.80267 1.79326 -76.32504 408.38289
7170.0000 -78.03049 -76.50777 1.52271 1.77772 -76.48174 390.55387
7175.0000 -78.26893 -76.85134 1.41759 1.75808 -76.67965 366.41419
7180.0000 -77.59960 -76.36437 1.23523 1.77148 -76.54458 361.39001
7185.0000 -77.36255 -75.76542 1.59713 1.80434 -76.21343 413.66717
7190.0000 -78.21903 -76.71352 1.50551 1.81174 -76.13876 399.02326
7195.0000 -78.28596 -76.97455 1.31141 1.75317 -76.72918 357.26225
7200.0000 -78.05841 -76.70969 1.34872 1.73500 -76.91233 336.57645
7205.0000 -78.38466 -76.75583 1.62882 1.76204 -76.63974 365.04367
7210.0000 -78.41467 -76.88898 1.52569 1.74525 -76.80894 343.88008
7215.0000 -77.89271 -76.79508 1.09763 1.74491 -76.81241 334.68057
7220.0000 -78.01958 -76.44655 1.57303 1.76655 -76.59428 351.32794
7225.0000 -78.17839 -76.50585 1.67254 1.78570 -76.40129 374.05647
7230.0000 -77.92300 -76.05918 1.86382 1.76565 -76.60334 350.38752
7235.0000 -78.11956 -76.61374 1.50582 1.80450 -76.21179 402.63056
7240.0000 -78.31723 -76.64663 1.67060 1.76056 -76.65462 343.73561
7245.0000 -77.66254 -76.10196 1.56059 1.77217 -76.53768 357.73559
7250.0000 -77.57782 -75.94807 1.62975 1.82444 -76.01081 419.67876
FREEZING PROCESS: loop number 30 T-loop= 353.00000000000000
main_MD> interactions number 30 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68308 -2.15489 1.64883
force_rgl> df(natom) 1.60234 -0.54058 0.20631
7255.0000 -77.94053 -76.58372 1.35681 1.78384 -76.42000 361.94617
7260.0000 -77.97054 -76.35570 1.61485 1.78153 -76.44327 353.78468
7265.0000 -77.92343 -76.25191 1.67152 1.79261 -76.33167 379.13952
7270.0000 -78.19397 -76.29761 1.89636 1.79106 -76.34729 382.28201
7275.0000 -78.08876 -76.55235 1.53641 1.75672 -76.69335 336.71423
7280.0000 -78.20810 -76.39487 1.81323 1.77563 -76.50280 361.51346
7285.0000 -77.66427 -76.29370 1.37057 1.79241 -76.33368 384.24057
7290.0000 -78.14516 -76.22247 1.92268 1.80081 -76.24899 384.60675
7295.0000 -77.67838 -75.69908 1.97931 1.82999 -75.95486 414.05584
7300.0000 -77.85024 -76.56206 1.28817 1.82191 -76.03632 423.28310
7305.0000 -78.36048 -76.86896 1.49152 1.76125 -76.64775 374.83086
7310.0000 -78.37951 -77.04686 1.33266 1.73160 -76.94654 337.69870
7315.0000 -78.30023 -77.09587 1.20436 1.70546 -77.21004 323.69987
7320.0000 -78.70644 -77.52013 1.18632 1.68040 -77.46266 282.90045
7325.0000 -78.62258 -77.32180 1.30078 1.68352 -77.43114 291.33032
7330.0000 -78.25387 -76.97972 1.27415 1.71170 -77.14711 313.98390
7335.0000 -78.40089 -76.91610 1.48479 1.72291 -77.03412 334.64694
7340.0000 -78.42473 -77.08491 1.33983 1.72219 -77.04145 329.42680
7345.0000 -78.47197 -77.11853 1.35344 1.72440 -77.01916 327.71543
7350.0000 -78.44830 -76.88180 1.56650 1.74228 -76.83894 341.80315
7355.0000 -78.43608 -76.81509 1.62099 1.73277 -76.93477 342.45728
7360.0000 -78.40996 -76.83086 1.57910 1.73916 -76.87033 350.64842
7365.0000 -78.35576 -76.99336 1.36241 1.73113 -76.95126 333.34362
7370.0000 -78.35131 -77.06371 1.28761 1.73458 -76.91657 346.63525
7375.0000 -78.67284 -77.37355 1.29929 1.69957 -77.26939 315.05918
7380.0000 -78.48988 -77.04841 1.44147 1.70498 -77.21486 309.44743
7385.0000 -78.66582 -77.21448 1.45134 1.71371 -77.12690 321.09861
7390.0000 -78.41967 -76.88781 1.53186 1.73767 -76.88542 351.16821
7395.0000 -78.33888 -76.49404 1.84483 1.75445 -76.71628 368.20792
7400.0000 -78.62454 -77.05965 1.56489 1.74196 -76.84219 361.55066
7405.0000 -78.69653 -77.09005 1.60648 1.71653 -77.09843 335.87308
7410.0000 -78.42834 -77.18468 1.24366 1.70860 -77.17843 316.76306
7415.0000 -78.15204 -76.83421 1.31783 1.73747 -76.88741 349.86231
7420.0000 -78.26652 -76.79367 1.47285 1.74762 -76.78508 345.87238
7425.0000 -78.44625 -76.79401 1.65224 1.74011 -76.86081 352.12799
7430.0000 -78.25460 -76.82233 1.43226 1.72631 -76.99992 329.61391
7435.0000 -78.07081 -76.44948 1.62132 1.74276 -76.83406 348.53235
7440.0000 -78.46395 -77.04523 1.41872 1.73845 -76.87747 343.26112
7445.0000 -78.34739 -76.94280 1.40458 1.73386 -76.92376 341.05732
7450.0000 -78.41462 -77.08864 1.32598 1.72545 -77.00854 328.70333
7455.0000 -78.45572 -76.96948 1.48625 1.73359 -76.92648 340.91816
7460.0000 -78.71694 -77.24834 1.46859 1.73080 -76.95463 339.41381
7465.0000 -78.13772 -76.48909 1.64863 1.75032 -76.75783 359.58939
7470.0000 -78.49176 -77.20943 1.28233 1.71372 -77.12681 323.40277
7475.0000 -78.43104 -77.23008 1.20096 1.70807 -77.18375 312.34708
7480.0000 -78.17533 -76.46574 1.70959 1.75981 -76.66223 368.31396
7485.0000 -78.21350 -76.90676 1.30674 1.73657 -76.89651 344.75764
7490.0000 -77.76219 -76.50612 1.25606 1.76704 -76.58940 386.34968
7495.0000 -78.30905 -76.98102 1.32803 1.74664 -76.79499 346.56111
7500.0000 -78.13394 -76.42787 1.70607 1.74416 -76.81997 331.08100
FREEZING PROCESS: loop number 31 T-loop= 328.00000000000000
main_MD> interactions number 31 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78536 0.20169 -3.93992
force_rgl> df(natom) 0.19730 -0.25088 2.72585
7505.0000 -78.11810 -76.63665 1.48145 1.75974 -76.66293 342.22765
7510.0000 -78.11201 -76.80809 1.30391 1.75429 -76.71785 354.01306
7515.0000 -78.51898 -77.03457 1.48442 1.73638 -76.89835 341.30767
7520.0000 -78.37819 -76.80297 1.57521 1.73762 -76.88588 332.85621
7525.0000 -78.41225 -76.99290 1.41935 1.73966 -76.86535 317.67317
7530.0000 -78.30462 -76.70232 1.60230 1.75090 -76.75202 342.34921
7535.0000 -78.29316 -77.18656 1.10659 1.74280 -76.83370 333.44833
7540.0000 -78.27498 -77.15152 1.12346 1.73022 -76.96044 329.34226
7545.0000 -77.91764 -76.69928 1.21836 1.73808 -76.88122 329.31790
7550.0000 -78.35647 -77.03296 1.32351 1.73226 -76.93991 330.75321
7555.0000 -78.00264 -76.39844 1.60420 1.76676 -76.59222 376.88062
7560.0000 -78.73462 -77.53241 1.20221 1.72099 -77.05347 332.21667
7565.0000 -78.50201 -77.09930 1.40271 1.67518 -77.51523 273.17395
7570.0000 -78.46982 -77.02968 1.44014 1.70350 -77.22978 294.38831
7575.0000 -78.19742 -77.01624 1.18118 1.73747 -76.88745 345.84930
7580.0000 -78.34010 -77.16671 1.17339 1.72878 -76.97504 339.48664
7585.0000 -78.25930 -77.20920 1.05010 1.70525 -77.21220 310.16828
7590.0000 -77.98079 -76.72757 1.25323 1.72407 -77.02249 328.37212
7595.0000 -78.40410 -76.85718 1.54692 1.71826 -77.08103 318.74197
7600.0000 -78.18169 -76.57712 1.60457 1.74465 -76.81501 356.30267
7605.0000 -78.44321 -77.56143 0.88178 1.70934 -77.17089 317.99745
7610.0000 -78.29493 -76.75653 1.53840 1.71109 -77.15334 319.53617
7615.0000 -78.24180 -76.80708 1.43472 1.73332 -76.92922 340.60511
7620.0000 -77.97247 -76.41465 1.55782 1.78822 -76.37586 392.17877
7625.0000 -78.61815 -77.28041 1.33774 1.72159 -77.04746 330.80454
7630.0000 -78.26310 -76.95155 1.31156 1.72541 -77.00900 329.94222
7635.0000 -78.64365 -77.13381 1.50984 1.73501 -76.91220 345.23627
7640.0000 -78.42274 -76.96818 1.45456 1.71605 -77.10334 334.42144
7645.0000 -78.49983 -77.52791 0.97192 1.70503 -77.21441 318.29778
7650.0000 -78.50767 -77.31579 1.19187 1.67977 -77.46900 283.54551
7655.0000 -78.35863 -77.13669 1.22194 1.71610 -77.10279 325.46989
7660.0000 -78.54370 -77.26624 1.27746 1.71988 -77.06470 332.66861
7665.0000 -78.40049 -77.10997 1.29053 1.69236 -77.34209 298.06065
7670.0000 -78.74878 -77.63798 1.11080 1.68910 -77.37494 282.80217
7675.0000 -78.53014 -77.35383 1.17631 1.67970 -77.46964 275.93177
7680.0000 -78.32450 -77.06279 1.26170 1.70952 -77.16909 317.24072
7685.0000 -78.30382 -77.26495 1.03887 1.71571 -77.10673 317.72729
7690.0000 -78.42666 -76.88470 1.54196 1.71653 -77.09845 320.28812
7695.0000 -78.66394 -77.33671 1.32723 1.72920 -76.97076 322.11917
7700.0000 -78.42059 -77.28375 1.13683 1.68936 -77.37228 287.53940
7705.0000 -78.58962 -77.15579 1.43383 1.71649 -77.09887 316.00613
7710.0000 -78.43750 -77.28108 1.15642 1.69835 -77.28170 280.81550
7715.0000 -78.56866 -77.07460 1.49406 1.70377 -77.22712 285.12495
7720.0000 -78.56456 -77.09610 1.46846 1.72157 -77.04765 305.22922
7725.0000 -78.18200 -76.80183 1.38017 1.73971 -76.86479 337.30120
7730.0000 -78.31582 -77.09393 1.22189 1.73650 -76.89713 330.29963
7735.0000 -78.14243 -76.83300 1.30943 1.71604 -77.10340 304.94419
7740.0000 -78.21717 -76.76190 1.45527 1.75583 -76.70239 351.49638
7745.0000 -78.38570 -77.17590 1.20980 1.71894 -77.07418 311.46996
7750.0000 -78.44394 -77.01829 1.42565 1.71375 -77.12646 314.58622
FREEZING PROCESS: loop number 32 T-loop= 303.00000000000000
main_MD> interactions number 32 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.93998 2.27008 -0.64885
force_rgl> df(natom) -1.22227 2.36333 1.20015
7755.0000 -78.32515 -77.23364 1.09152 1.70380 -77.22673 295.84312
7760.0000 -78.55937 -77.20727 1.35210 1.69500 -77.31543 289.94195
7765.0000 -78.81386 -77.83088 0.98297 1.68540 -77.41221 291.17891
7770.0000 -78.56265 -77.17453 1.38812 1.68396 -77.42678 290.52566
7775.0000 -78.42792 -77.17207 1.25585 1.70196 -77.24533 312.00018
7780.0000 -78.69404 -77.47988 1.21416 1.69258 -77.33984 300.97081
7785.0000 -78.57736 -77.35912 1.21825 1.67598 -77.50720 275.06392
7790.0000 -78.63377 -77.18932 1.44445 1.68683 -77.39782 293.42219
7795.0000 -78.40784 -77.21595 1.19189 1.69051 -77.36073 283.13067
7800.0000 -78.37476 -77.36200 1.01276 1.68889 -77.37705 289.72111
7805.0000 -78.34580 -77.36304 0.98277 1.70054 -77.25966 303.93169
7810.0000 -78.27686 -77.08447 1.19239 1.68551 -77.41109 279.77983
7815.0000 -78.53972 -77.20587 1.33385 1.71470 -77.11693 327.35256
7820.0000 -78.86769 -77.61702 1.25067 1.68904 -77.37555 302.94136
7825.0000 -78.84803 -77.64476 1.20327 1.67683 -77.49862 277.33896
7830.0000 -78.69137 -77.22246 1.46891 1.67051 -77.56236 279.97600
7835.0000 -78.45032 -77.31854 1.13178 1.69995 -77.26554 308.49894
7840.0000 -78.56857 -76.99729 1.57129 1.72837 -76.97912 334.73852
7845.0000 -77.90570 -76.76357 1.14212 1.72607 -77.00227 337.09823
7850.0000 -78.48814 -77.27802 1.21012 1.72781 -76.98472 342.13466
7855.0000 -78.76526 -77.44715 1.31811 1.70683 -77.19623 315.14383
7860.0000 -78.54724 -77.44631 1.10093 1.66735 -77.59420 274.04007
7865.0000 -78.76691 -76.99478 1.77213 1.72026 -77.06084 333.36880
7870.0000 -78.34032 -76.79945 1.54087 1.75466 -76.71415 368.14140
7875.0000 -78.53097 -77.06800 1.46297 1.71741 -77.08956 324.43431
7880.0000 -78.21126 -77.08313 1.12813 1.72037 -77.05971 330.74145
7885.0000 -78.48912 -77.18890 1.30022 1.72469 -77.01617 333.47278
7890.0000 -78.93357 -77.64868 1.28490 1.67384 -77.52872 280.67227
7895.0000 -78.53426 -77.10157 1.43269 1.67705 -77.49636 274.41046
7900.0000 -78.23702 -76.94967 1.28735 1.72889 -76.97390 321.88777
7905.0000 -78.32038 -76.98671 1.33367 1.72985 -76.96417 318.54595
7910.0000 -78.58841 -77.40575 1.18266 1.72449 -77.01824 314.91264
7915.0000 -78.44142 -77.18045 1.26097 1.69115 -77.35426 273.40820
7920.0000 -78.41260 -77.24049 1.17211 1.71054 -77.15879 299.35050
7925.0000 -78.39990 -77.27799 1.12192 1.70541 -77.21055 295.75390
7930.0000 -78.51311 -77.31044 1.20268 1.70927 -77.17167 301.23357
7935.0000 -78.42599 -77.27013 1.15586 1.69007 -77.36514 279.21229
7940.0000 -78.76755 -77.18493 1.58262 1.71107 -77.15352 302.02309
7945.0000 -78.32957 -77.23887 1.09070 1.72046 -77.05885 317.12303
7950.0000 -78.36748 -77.25406 1.11342 1.70430 -77.22178 290.50385
7955.0000 -78.59080 -77.56223 1.02857 1.69726 -77.29266 287.81121
7960.0000 -78.25345 -77.17724 1.07621 1.70416 -77.22316 285.97293
7965.0000 -78.22184 -76.85432 1.36752 1.72928 -76.96997 321.00888
7970.0000 -78.43386 -77.00317 1.43069 1.74192 -76.84254 330.20850
7975.0000 -78.33670 -76.76045 1.57624 1.74896 -76.77163 340.27566
7980.0000 -78.63058 -77.24089 1.38969 1.71499 -77.11402 304.19126
7985.0000 -78.69605 -77.71423 0.98182 1.70052 -77.25980 285.31043
7990.0000 -78.40244 -77.32924 1.07321 1.68036 -77.46301 265.31979
7995.0000 -78.71762 -77.17024 1.54738 1.70141 -77.25090 291.84778
8000.0000 -78.18111 -76.72905 1.45207 1.73890 -76.87302 323.25996
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 20.4755529 [s].
main_MD> Deallocating global variables
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