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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_21/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_21.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 = 21 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1350
main_MD> Size of nv and nvoiz: 21 2100
main_MD> Size of nv and nvoiz: 21 2100
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 = 21
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> 8.9398596802687566E-002 -1.3758618614332701E-002 -0.21067348499936381 initial drift of cluster / NP1 for coalescence
init> 0.46085969017475281 0.41550061771340263 0.28662831339867456 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.3644831467576292E-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) 1.69264 0.60999 -1.47835
force_rgl> df(natom) -0.62629 -2.79177 0.19405
preparo> THERMALIZATION PROCESS AT 986.77313067314481
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -42.991992169940175 3.1822006513802092 -46.174192821320382 5.7416306966010411E-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 27
FREEZING PROCESS: loop number 1 T-loop= 957.00000000000000
main_MD> interactions number 1 at Temperature= 957.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.87759 -2.82106 3.31564
force_rgl> df(natom) 0.93409 0.25372 -0.11381
5.0000 -45.14345 -41.78983 3.35361 2.53723 -42.63746 1202.14130
10.0000 -47.04589 -44.06994 2.97595 2.56089 -42.45738 1274.20084
15.0000 -46.88787 -44.40331 2.48456 2.33467 -44.17924 1016.68079
20.0000 -47.12905 -43.90677 3.22229 2.30998 -44.36719 1010.61941
25.0000 -46.79207 -44.31013 2.48195 2.36167 -43.97378 1078.23390
30.0000 -46.73262 -43.91814 2.81448 2.31740 -44.31071 1028.52644
35.0000 -47.33960 -45.07453 2.26507 2.29852 -44.45442 996.43058
40.0000 -47.51909 -45.32954 2.18955 2.19919 -45.21052 908.50389
45.0000 -46.64048 -43.91536 2.72512 2.35446 -44.02863 1062.50524
50.0000 -46.56448 -43.56885 2.99563 2.37615 -43.86358 993.55967
55.0000 -46.99768 -44.12957 2.86810 2.42447 -43.49574 1168.38384
60.0000 -45.81844 -42.42263 3.39581 2.42137 -43.51934 1151.28082
65.0000 -46.62075 -44.23014 2.39061 2.49665 -42.94635 1125.98019
70.0000 -46.41180 -44.03651 2.37529 2.35096 -44.05532 1054.18065
75.0000 -46.03055 -43.19459 2.83597 2.42357 -43.50258 1061.55917
80.0000 -47.13998 -43.93084 3.20915 2.38731 -43.77861 1142.15570
85.0000 -47.92232 -44.86188 3.06044 2.32574 -44.24727 1091.44868
90.0000 -47.59915 -44.77405 2.82510 2.27718 -44.61689 973.60651
95.0000 -47.41858 -44.86979 2.54879 2.21505 -45.08976 914.14763
100.0000 -47.62726 -45.68497 1.94229 2.21227 -45.11093 884.00263
105.0000 -47.43037 -44.96349 2.46688 2.20004 -45.20404 897.71651
110.0000 -47.84966 -44.69485 3.15481 2.22399 -45.02173 960.70231
115.0000 -46.90977 -44.26088 2.64889 2.31574 -44.32335 1052.71486
120.0000 -47.94508 -45.77704 2.16804 2.26073 -44.74212 938.28420
125.0000 -47.59199 -45.22030 2.37169 2.20477 -45.16807 886.01169
130.0000 -47.57892 -44.58751 2.99140 2.18783 -45.29701 952.13887
135.0000 -47.84454 -44.26849 3.57606 2.30281 -44.42182 1036.56309
140.0000 -46.19164 -43.80909 2.38256 2.35946 -43.99061 1083.24817
145.0000 -46.54146 -43.85618 2.68528 2.37218 -43.89378 1079.87405
150.0000 -47.67487 -44.90387 2.77100 2.24918 -44.83000 971.66934
155.0000 -47.54665 -45.36256 2.18409 2.28358 -44.56814 981.90878
160.0000 -48.09142 -45.03909 3.05233 2.22719 -44.99737 894.29425
165.0000 -47.47733 -45.18759 2.28974 2.22363 -45.02448 838.31838
170.0000 -47.37916 -43.17625 4.20291 2.28396 -44.56530 968.35832
175.0000 -47.75084 -44.98843 2.76241 2.38801 -43.77324 1093.58004
180.0000 -48.09838 -45.61851 2.47987 2.18637 -45.30809 972.27968
185.0000 -48.23681 -45.56512 2.67168 2.16117 -45.49987 901.73644
190.0000 -47.52988 -45.19701 2.33287 2.14433 -45.62807 835.31524
195.0000 -47.39352 -44.28337 3.11016 2.24856 -44.83475 993.42791
200.0000 -47.00253 -44.12483 2.87770 2.26621 -44.70039 981.05375
205.0000 -48.22828 -46.05412 2.17416 2.22772 -44.99333 922.94605
210.0000 -47.54801 -45.10146 2.44655 2.13058 -45.73274 841.27199
215.0000 -47.44302 -44.87317 2.56985 2.29151 -44.50776 968.24734
220.0000 -47.72230 -43.95370 3.76860 2.31237 -44.34905 1032.54292
225.0000 -47.36058 -44.40630 2.95429 2.34243 -44.12025 1038.11497
230.0000 -48.77970 -46.16972 2.60998 2.19557 -45.23803 847.06979
235.0000 -48.06832 -45.90097 2.16735 2.12923 -45.74305 838.93182
240.0000 -47.25973 -45.16065 2.09908 2.13213 -45.72098 852.45292
245.0000 -47.85142 -45.22696 2.62446 2.18663 -45.30614 895.62929
250.0000 -47.08837 -44.02623 3.06214 2.27992 -44.59600 936.88744
FREEZING PROCESS: loop number 2 T-loop= 932.00000000000000
main_MD> interactions number 2 at Temperature= 932.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06207 -1.02942 0.88230
force_rgl> df(natom) -2.18010 0.25227 -1.98365
255.0000 -47.59277 -44.54454 3.04823 2.34994 -44.06302 1021.53817
260.0000 -47.43528 -44.33647 3.09881 2.32595 -44.24567 1035.00224
265.0000 -47.80928 -45.31385 2.49543 2.23176 -44.96261 927.56374
270.0000 -47.54650 -45.52142 2.02508 2.20355 -45.17729 889.98303
275.0000 -46.99064 -45.11196 1.87868 2.18043 -45.35334 887.97639
280.0000 -46.32101 -43.87920 2.44181 2.32355 -44.26393 997.74148
285.0000 -47.03098 -44.30353 2.72745 2.36425 -43.95414 1061.99026
290.0000 -46.83009 -44.51916 2.31093 2.38000 -43.83426 1053.82632
295.0000 -46.63019 -43.87847 2.75172 2.43756 -43.39614 1080.79517
300.0000 -46.28916 -43.28010 3.00906 2.38928 -43.76362 1075.51029
305.0000 -46.67917 -43.93470 2.74447 2.36808 -43.92498 1071.40556
310.0000 -47.31659 -45.14348 2.17310 2.31883 -44.29983 1004.04271
315.0000 -48.14476 -45.91109 2.23367 2.10435 -45.93240 812.21420
320.0000 -47.37084 -45.17232 2.19852 2.11922 -45.81925 831.30376
325.0000 -47.27675 -44.60679 2.66996 2.31419 -44.33515 964.89807
330.0000 -48.68312 -45.62173 3.06139 2.12041 -45.81017 835.28412
335.0000 -47.65382 -44.66851 2.98530 2.16924 -45.43851 889.67730
340.0000 -46.87471 -44.87986 1.99485 2.21953 -45.05566 918.86589
345.0000 -47.68998 -45.35813 2.33185 2.20659 -45.15421 925.85997
350.0000 -47.87687 -45.87875 1.99812 2.17576 -45.38884 847.90056
355.0000 -47.87688 -45.08022 2.79666 2.13773 -45.67831 846.31598
360.0000 -46.88043 -44.35797 2.52247 2.29429 -44.48665 1024.33622
365.0000 -46.94007 -44.38059 2.55948 2.35557 -44.02023 1083.37059
370.0000 -45.77084 -43.32795 2.44289 2.30218 -44.42659 990.57128
375.0000 -47.44084 -45.13256 2.30828 2.33744 -44.15822 1039.55597
380.0000 -47.01154 -44.49923 2.51231 2.26712 -44.69344 963.87552
385.0000 -47.85122 -45.95583 1.89539 2.18445 -45.32268 812.48390
390.0000 -48.03479 -45.82572 2.20907 2.07422 -46.16171 769.98907
395.0000 -47.58080 -45.03988 2.54092 2.22702 -44.99866 950.89869
400.0000 -48.32803 -46.00511 2.32293 2.18188 -45.34229 894.09185
405.0000 -48.08355 -44.74014 3.34340 2.21161 -45.11601 896.24213
410.0000 -46.88901 -44.86018 2.02883 2.26581 -44.70343 962.42444
415.0000 -47.03936 -44.99580 2.04357 2.23239 -44.95778 937.33728
420.0000 -47.09633 -43.84122 3.25511 2.27040 -44.66846 982.04838
425.0000 -47.39122 -45.52605 1.86516 2.28587 -44.55069 977.78529
430.0000 -47.66902 -45.12627 2.54275 2.19743 -45.22393 887.62734
435.0000 -47.21009 -45.31443 1.89566 2.17946 -45.36071 894.66015
440.0000 -47.66144 -44.83521 2.82623 2.23922 -44.90584 952.54538
445.0000 -46.66286 -44.42485 2.23801 2.26360 -44.72027 947.46933
450.0000 -48.16818 -46.29231 1.87587 2.17220 -45.41597 871.80061
455.0000 -47.56556 -45.25662 2.30893 2.08089 -46.11093 812.04207
460.0000 -48.22567 -45.85585 2.36982 2.15032 -45.58249 874.19549
465.0000 -46.79686 -44.47159 2.32527 2.21350 -45.10156 862.52041
470.0000 -48.06284 -46.08818 1.97466 2.11965 -45.81591 795.50561
475.0000 -46.88220 -44.92832 1.95387 2.14888 -45.59344 755.92593
480.0000 -47.49033 -45.48640 2.00394 2.22480 -45.01559 912.76223
485.0000 -46.94591 -44.85220 2.09372 2.19460 -45.24545 859.30716
490.0000 -47.29640 -44.98008 2.31632 2.21374 -45.09979 909.00408
495.0000 -47.40495 -45.17610 2.22885 2.18497 -45.31874 875.73559
500.0000 -46.61910 -43.75366 2.86544 2.27803 -44.61044 964.86315
FREEZING PROCESS: loop number 3 T-loop= 907.00000000000000
main_MD> interactions number 3 at Temperature= 907.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19022 -0.30142 4.12449
force_rgl> df(natom) -2.41831 1.34958 -2.64777
505.0000 -47.73873 -44.87637 2.86236 2.34987 -44.06357 1067.31440
510.0000 -47.72820 -44.07175 3.65645 2.31425 -44.33469 1024.84625
515.0000 -46.75280 -43.84541 2.90739 2.31852 -44.30221 975.96597
520.0000 -47.53168 -44.33851 3.19317 2.30917 -44.37341 1022.31570
525.0000 -47.81166 -45.68546 2.12620 2.26197 -44.73266 1040.27713
530.0000 -48.31529 -45.98836 2.32694 2.07058 -46.18947 799.64309
535.0000 -48.12360 -45.94340 2.18020 2.11067 -45.88430 793.90685
540.0000 -47.68679 -44.75217 2.93462 2.17639 -45.38403 857.78445
545.0000 -46.11100 -43.13428 2.97672 2.30572 -44.39961 1011.74381
550.0000 -47.22572 -43.58471 3.64101 2.42384 -43.50055 1061.51728
555.0000 -46.75636 -44.47027 2.28609 2.34737 -44.08264 1090.80229
560.0000 -46.01188 -43.87840 2.13348 2.33437 -44.18156 916.60516
565.0000 -46.29292 -44.33468 1.95824 2.29366 -44.49143 963.22747
570.0000 -47.19031 -43.94146 3.24885 2.39037 -43.75528 1098.63631
575.0000 -45.87783 -43.05771 2.82012 2.34026 -44.13670 1038.24999
580.0000 -46.01442 -44.34109 1.67333 2.38386 -43.80484 1001.67492
585.0000 -47.53820 -44.33938 3.19882 2.32277 -44.26984 1027.91109
590.0000 -46.65908 -43.79131 2.86777 2.34781 -44.07929 1074.33196
595.0000 -47.14511 -44.88543 2.25967 2.34868 -44.07261 1067.54158
600.0000 -47.66942 -45.12832 2.54110 2.19016 -45.27924 861.28431
605.0000 -47.60763 -44.43946 3.16818 2.20017 -45.20307 942.34225
610.0000 -47.55980 -44.60313 2.95667 2.27583 -44.62713 979.31336
615.0000 -48.32136 -45.60296 2.71839 2.22265 -45.03197 971.66070
620.0000 -47.65726 -45.10899 2.54826 2.12706 -45.75952 814.91303
625.0000 -48.54832 -45.86346 2.68486 2.21208 -45.11240 978.06412
630.0000 -47.79391 -45.86557 1.92834 2.08151 -46.10628 776.05875
635.0000 -47.19282 -44.84508 2.34774 2.17825 -45.36986 760.61997
640.0000 -47.04017 -45.20773 1.83245 2.24754 -44.84249 908.95730
645.0000 -47.58900 -45.42119 2.16782 2.18403 -45.32592 796.36705
650.0000 -48.66441 -45.46535 3.19905 2.21699 -45.07499 922.34968
655.0000 -47.73966 -45.31046 2.42920 2.17931 -45.36186 897.53652
660.0000 -47.87716 -45.28943 2.58772 2.17460 -45.39770 906.81291
665.0000 -48.01635 -45.49088 2.52547 2.14878 -45.59420 913.22333
670.0000 -47.83293 -46.01071 1.82222 2.15806 -45.52361 839.05369
675.0000 -48.09720 -45.06188 3.03532 2.19554 -45.23831 912.14553
680.0000 -48.16682 -45.87495 2.29187 2.16068 -45.50366 913.82889
685.0000 -47.70657 -44.82695 2.87962 2.16604 -45.46283 901.73669
690.0000 -48.65026 -45.45982 3.19045 2.19335 -45.25495 944.96132
695.0000 -47.40376 -44.36166 3.04210 2.28591 -44.55042 974.68323
700.0000 -47.05408 -45.49785 1.55623 2.32856 -44.22579 1025.54912
705.0000 -47.36675 -44.76190 2.60485 2.20532 -45.16388 870.62423
710.0000 -47.25386 -44.87046 2.38340 2.24959 -44.82687 916.59490
715.0000 -47.78565 -44.53890 3.24676 2.30822 -44.38057 1030.85370
720.0000 -46.67510 -43.83402 2.84109 2.32332 -44.26569 1000.68768
725.0000 -46.98007 -44.66179 2.31828 2.33207 -44.19910 1053.59341
730.0000 -46.56935 -43.15804 3.41131 2.39438 -43.72482 1142.65482
735.0000 -46.14020 -42.91168 3.22852 2.40168 -43.66919 1093.93571
740.0000 -47.02587 -44.36730 2.65857 2.49523 -42.95717 1174.43084
745.0000 -47.20036 -43.91720 3.28316 2.33257 -44.19530 1063.16303
750.0000 -47.36333 -44.90257 2.46075 2.31676 -44.31557 1022.32896
FREEZING PROCESS: loop number 4 T-loop= 882.00000000000000
main_MD> interactions number 4 at Temperature= 882.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.13228 -1.18975 -7.53764
force_rgl> df(natom) 3.64847 -2.96206 -2.62048
755.0000 -47.43619 -44.38314 3.05306 2.26181 -44.73389 985.30839
760.0000 -46.80702 -45.11582 1.69120 2.22822 -44.98951 835.75477
765.0000 -47.96166 -45.38523 2.57643 2.18674 -45.30528 842.76873
770.0000 -47.65768 -45.56875 2.08893 2.09187 -46.02741 743.53417
775.0000 -47.93961 -44.46756 3.47205 2.25274 -44.80291 885.22277
780.0000 -47.78132 -45.51544 2.26588 2.24394 -44.86985 953.55040
785.0000 -47.18460 -45.01006 2.17454 2.17695 -45.37980 880.06869
790.0000 -48.41871 -45.76816 2.65055 2.18351 -45.32983 922.94967
795.0000 -48.43367 -45.86191 2.57176 2.11699 -45.83621 814.97395
800.0000 -48.45462 -45.43928 3.01534 2.19297 -45.25784 899.58357
805.0000 -46.61709 -44.81831 1.79877 2.24641 -44.85109 949.46076
810.0000 -47.37834 -44.99003 2.38831 2.21489 -45.09101 886.88981
815.0000 -46.56398 -44.46428 2.09970 2.29999 -44.44322 984.78426
820.0000 -47.29398 -44.68431 2.60966 2.26345 -44.72141 922.03824
825.0000 -47.52187 -45.84821 1.67366 2.18067 -45.35144 906.46545
830.0000 -47.98270 -45.36288 2.61982 2.12878 -45.74645 819.30932
835.0000 -47.89160 -45.46176 2.42984 2.14822 -45.59846 820.68096
840.0000 -48.16878 -45.46679 2.70199 2.18786 -45.29671 853.55583
845.0000 -48.24193 -45.83598 2.40595 2.18991 -45.28114 929.04553
850.0000 -47.27150 -44.47584 2.79566 2.28479 -44.55894 960.39685
855.0000 -47.59536 -44.88820 2.70716 2.23061 -44.97137 918.14968
860.0000 -47.67364 -44.95493 2.71871 2.23961 -44.90285 965.86557
865.0000 -47.74267 -45.70830 2.03436 2.19482 -45.24378 889.04374
870.0000 -47.61561 -45.37939 2.23622 2.21571 -45.08473 887.09646
875.0000 -47.30115 -44.98711 2.31404 2.11459 -45.85444 786.03807
880.0000 -48.19980 -45.60408 2.59572 2.21766 -45.06996 934.81352
885.0000 -47.71356 -45.98886 1.72470 2.14866 -45.59514 834.36128
890.0000 -48.45372 -46.31488 2.13884 2.05011 -46.34525 767.21082
895.0000 -48.42735 -46.06973 2.35761 2.08323 -46.09319 828.55526
900.0000 -47.92459 -45.59027 2.33432 2.16578 -45.46480 915.64981
905.0000 -47.67080 -45.15815 2.51265 2.19643 -45.23148 846.09452
910.0000 -47.41926 -44.46909 2.95017 2.22972 -44.97816 923.00524
915.0000 -47.50557 -45.26986 2.23571 2.26469 -44.71194 943.61936
920.0000 -47.43411 -45.41804 2.01607 2.21014 -45.12715 911.17429
925.0000 -48.22343 -45.37910 2.84433 2.17863 -45.36702 858.75165
930.0000 -48.17488 -45.21543 2.95945 2.19614 -45.23374 908.82535
935.0000 -48.01976 -45.57396 2.44580 2.16433 -45.47589 875.87597
940.0000 -47.78745 -44.31568 3.47177 2.27102 -44.66377 930.36772
945.0000 -48.02920 -44.64206 3.38715 2.23173 -44.96281 912.82365
950.0000 -47.08891 -44.40953 2.67938 2.35027 -44.06055 1009.26734
955.0000 -47.32844 -44.55020 2.77824 2.32583 -44.24654 994.41939
960.0000 -47.13902 -45.11615 2.02287 2.21284 -45.10664 908.40543
965.0000 -47.45605 -44.42043 3.03562 2.17147 -45.42150 857.48411
970.0000 -47.20527 -45.51740 1.68787 2.21792 -45.06794 918.87999
975.0000 -47.11630 -45.49447 1.62183 2.13186 -45.72297 857.44827
980.0000 -47.30123 -44.81791 2.48333 2.19244 -45.26185 873.90994
985.0000 -47.38588 -45.56073 1.82514 2.25719 -44.76902 933.38290
990.0000 -48.23185 -45.42886 2.80298 2.16242 -45.49039 844.91922
995.0000 -47.88822 -45.27043 2.61778 2.15176 -45.57155 841.54245
1000.0000 -47.54415 -45.70932 1.83483 2.11891 -45.82157 864.26326
FREEZING PROCESS: loop number 5 T-loop= 857.00000000000000
main_MD> interactions number 5 at Temperature= 857.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.77879 0.32168 0.40964
force_rgl> df(natom) 2.76212 2.29655 0.14246
1005.0000 -48.25741 -45.64426 2.61315 2.20031 -45.20198 970.92609
1010.0000 -48.30182 -45.88906 2.41276 2.13853 -45.67222 841.22833
1015.0000 -47.29179 -45.69075 1.60104 2.14309 -45.63756 803.58272
1020.0000 -47.84363 -45.09027 2.75336 2.20199 -45.18917 830.57461
1025.0000 -47.80959 -45.19740 2.61219 2.18694 -45.30375 865.53987
1030.0000 -47.30198 -45.42741 1.87457 2.17353 -45.40580 857.27210
1035.0000 -48.19338 -45.64204 2.55134 2.22620 -45.00490 899.54248
1040.0000 -48.58440 -46.34600 2.23840 2.07290 -46.17175 802.59404
1045.0000 -48.29559 -46.28051 2.01508 2.10664 -45.91497 807.80883
1050.0000 -48.19375 -45.92459 2.26917 2.08786 -46.05792 818.26498
1055.0000 -47.63690 -45.43429 2.20261 2.14789 -45.60100 840.33011
1060.0000 -47.51099 -44.95068 2.56031 2.22521 -45.01245 955.82745
1065.0000 -47.90300 -45.41080 2.49220 2.21938 -45.05685 925.42405
1070.0000 -47.59190 -44.93309 2.65881 2.19928 -45.20983 981.71793
1075.0000 -48.23709 -46.32446 1.91263 2.15574 -45.54124 887.89746
1080.0000 -48.54378 -46.12268 2.42110 2.04803 -46.36107 782.50859
1085.0000 -47.09233 -45.09632 1.99601 2.13515 -45.69796 910.90340
1090.0000 -47.31707 -44.85522 2.46185 2.18921 -45.28644 884.19630
1095.0000 -46.96570 -44.91239 2.05331 2.22338 -45.02640 851.75868
1100.0000 -47.40699 -45.94992 1.45707 2.20275 -45.18339 849.96310
1105.0000 -48.32657 -46.20917 2.11740 2.09951 -45.96923 747.65059
1110.0000 -48.70306 -46.18186 2.52120 2.09055 -46.03747 777.89111
1115.0000 -47.61964 -45.72277 1.89687 2.08091 -46.11083 738.25187
1120.0000 -47.29926 -45.46106 1.83820 2.18618 -45.30950 894.84333
1125.0000 -47.69327 -45.80444 1.88883 2.12078 -45.80737 767.49192
1130.0000 -47.73731 -45.42549 2.31182 2.18342 -45.33057 925.59252
1135.0000 -48.20099 -45.40430 2.79669 2.19869 -45.21433 960.87202
1140.0000 -47.17687 -44.68336 2.49351 2.27739 -44.61528 1003.47285
1145.0000 -48.31079 -46.00975 2.30104 2.19785 -45.22074 865.57813
1150.0000 -48.09226 -46.22889 1.86338 2.10940 -45.89395 740.16172
1155.0000 -47.68630 -45.89046 1.79584 2.13698 -45.68405 865.16644
1160.0000 -47.76657 -45.39159 2.37498 2.14837 -45.59736 907.38348
1165.0000 -47.27617 -44.89198 2.38419 2.22984 -44.97723 919.33530
1170.0000 -47.98565 -45.38223 2.60342 2.21980 -45.05366 902.24204
1175.0000 -47.95270 -45.90007 2.05263 2.11522 -45.84968 767.28729
1180.0000 -47.84996 -45.50785 2.34211 2.14056 -45.65681 883.25870
1185.0000 -47.91065 -46.17496 1.73569 2.07566 -46.15075 774.65808
1190.0000 -48.91783 -46.94756 1.97027 1.99888 -46.73517 716.29875
1195.0000 -47.90455 -46.07414 1.83040 2.04333 -46.39689 760.48862
1200.0000 -49.09858 -46.83188 2.26670 2.04972 -46.34820 739.57273
1205.0000 -48.05791 -45.97941 2.07850 2.07420 -46.16190 778.85460
1210.0000 -48.65745 -45.82853 2.82892 2.07223 -46.17688 757.92179
1215.0000 -47.67255 -44.91456 2.75799 2.20421 -45.17233 907.71099
1220.0000 -47.38227 -45.02634 2.35594 2.26420 -44.71564 953.84863
1225.0000 -47.99503 -45.26165 2.73338 2.20267 -45.18401 899.84043
1230.0000 -47.59700 -45.65633 1.94066 2.18749 -45.29955 901.98579
1235.0000 -48.52151 -46.53727 1.98424 2.04343 -46.39612 764.57446
1240.0000 -48.64146 -46.26880 2.37266 2.06796 -46.20939 758.36203
1245.0000 -47.48722 -45.28617 2.20105 2.08467 -46.08223 725.31597
1250.0000 -47.78354 -45.27391 2.50963 2.16532 -45.46829 830.34561
FREEZING PROCESS: loop number 6 T-loop= 832.00000000000000
main_MD> interactions number 6 at Temperature= 832.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83841 -0.14559 -1.11181
force_rgl> df(natom) -5.54957 -1.88722 1.25969
1255.0000 -48.31620 -45.74207 2.57414 2.19737 -45.22433 897.47090
1260.0000 -48.10664 -45.06847 3.03817 2.17912 -45.36325 889.39125
1265.0000 -48.73774 -46.82045 1.91729 2.13714 -45.68280 813.05461
1270.0000 -49.47525 -47.13314 2.34212 1.95634 -47.05899 669.70356
1275.0000 -48.14795 -45.60088 2.54707 2.05685 -46.29398 759.93923
1280.0000 -48.43244 -46.19068 2.24177 2.13161 -45.72494 859.36524
1285.0000 -47.98923 -46.23744 1.75179 2.10457 -45.93076 808.55901
1290.0000 -47.88459 -44.84009 3.04450 2.15482 -45.54824 861.11441
1295.0000 -47.33378 -45.44063 1.89315 2.17603 -45.38680 880.76341
1300.0000 -48.30179 -46.42194 1.87985 2.17272 -45.41201 866.90972
1305.0000 -48.51863 -45.50386 3.01477 2.05863 -46.28040 718.84755
1310.0000 -48.95480 -46.81605 2.13875 2.06360 -46.24259 800.07515
1315.0000 -48.19212 -46.47857 1.71355 2.03825 -46.43550 771.55958
1320.0000 -47.89236 -45.77635 2.11602 2.12522 -45.77355 827.35645
1325.0000 -48.57813 -46.00303 2.57510 2.07241 -46.17550 743.97302
1330.0000 -48.50290 -47.07063 1.43227 2.03009 -46.49763 719.88514
1335.0000 -48.11615 -46.17683 1.93932 2.04578 -46.37823 715.66090
1340.0000 -48.29566 -45.81535 2.48031 2.06416 -46.23832 754.15334
1345.0000 -47.38031 -44.50848 2.87182 2.24822 -44.83732 986.09933
1350.0000 -48.45459 -46.13523 2.31936 2.16906 -45.43982 896.63212
1355.0000 -48.31235 -45.95261 2.35974 2.08721 -46.06289 830.46675
1360.0000 -47.76671 -46.35758 1.40913 2.12212 -45.79712 818.66949
1365.0000 -47.83193 -45.22489 2.60704 2.17169 -45.41982 857.36348
1370.0000 -48.96330 -46.71345 2.24985 2.11537 -45.84849 825.52817
1375.0000 -47.79949 -45.22128 2.57821 2.07453 -46.15937 744.42045
1380.0000 -47.94301 -45.08261 2.86040 2.17250 -45.41364 951.80493
1385.0000 -47.58931 -45.39326 2.19604 2.24987 -44.82474 954.75139
1390.0000 -48.31086 -45.57129 2.73957 2.17739 -45.37644 833.18053
1395.0000 -48.05014 -46.08190 1.96823 2.12339 -45.78750 752.16067
1400.0000 -47.49358 -45.05569 2.43789 2.15182 -45.57108 875.74407
1405.0000 -48.02777 -45.98955 2.03822 2.18794 -45.29610 890.35216
1410.0000 -47.89196 -45.94575 1.94621 2.08265 -46.09754 752.40820
1415.0000 -48.21839 -45.75232 2.46607 2.10628 -45.91773 780.22636
1420.0000 -47.75919 -44.42619 3.33300 2.18426 -45.32414 921.24937
1425.0000 -48.21648 -46.13327 2.08321 2.16926 -45.43829 956.93257
1430.0000 -48.22893 -46.08511 2.14382 2.12330 -45.78817 793.10483
1435.0000 -48.38526 -45.79160 2.59366 2.12309 -45.78973 811.83208
1440.0000 -47.69702 -45.60683 2.09019 2.16948 -45.43664 833.21280
1445.0000 -48.04098 -46.10396 1.93702 2.10974 -45.89136 765.23609
1450.0000 -47.77398 -45.17351 2.60047 2.16603 -45.46294 836.69045
1455.0000 -47.93834 -44.82737 3.11097 2.18870 -45.29038 857.40612
1460.0000 -48.79658 -46.97520 1.82138 2.15279 -45.56366 871.71575
1465.0000 -48.30008 -45.81122 2.48886 2.06795 -46.20949 740.95580
1470.0000 -48.12987 -46.24038 1.88949 2.08029 -46.11557 791.31664
1475.0000 -47.89642 -45.29730 2.59912 2.10117 -45.95659 774.64521
1480.0000 -48.30887 -46.39336 1.91551 2.13950 -45.66482 834.20618
1485.0000 -48.35900 -46.63779 1.72122 2.06360 -46.24261 766.61301
1490.0000 -48.32807 -46.42637 1.90170 2.06422 -46.23786 738.72265
1495.0000 -48.47711 -45.96118 2.51593 2.11305 -45.86620 827.39680
1500.0000 -48.25442 -46.20907 2.04535 2.14068 -45.65583 815.13143
FREEZING PROCESS: loop number 7 T-loop= 807.00000000000000
main_MD> interactions number 7 at Temperature= 807.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24913 -0.22812 2.76180
force_rgl> df(natom) -1.93829 0.01474 2.32880
1505.0000 -48.18007 -45.91109 2.26898 2.07527 -46.15373 814.71114
1510.0000 -48.40540 -46.21652 2.18888 2.10824 -45.90278 819.98468
1515.0000 -47.75147 -45.37376 2.37771 2.15754 -45.52752 849.84380
1520.0000 -47.09278 -44.37584 2.71693 2.20717 -45.14977 893.95708
1525.0000 -47.77605 -44.66729 3.10876 2.29418 -44.48745 1002.42506
1530.0000 -47.03486 -43.78679 3.24807 2.37575 -43.86662 1067.49530
1535.0000 -47.25630 -44.65138 2.60491 2.31092 -44.36008 994.34595
1540.0000 -47.55388 -45.57650 1.97738 2.18044 -45.35320 881.86139
1545.0000 -48.39611 -46.45107 1.94504 2.10723 -45.91045 820.54306
1550.0000 -48.44265 -46.57897 1.86368 2.05236 -46.32816 757.27874
1555.0000 -47.92875 -46.20677 1.72198 2.10302 -45.94254 792.79140
1560.0000 -48.26779 -46.41254 1.85526 2.01707 -46.59678 674.56108
1565.0000 -48.61042 -46.91833 1.69209 2.01833 -46.58719 700.19696
1570.0000 -48.05112 -45.75198 2.29914 2.06673 -46.21872 760.91311
1575.0000 -48.73039 -46.80836 1.92203 2.00080 -46.72058 722.40941
1580.0000 -48.24500 -46.12755 2.11744 2.06514 -46.23086 788.45017
1585.0000 -47.03430 -45.25051 1.78379 2.15223 -45.56793 890.05914
1590.0000 -47.80873 -46.00443 1.80430 2.10903 -45.89677 844.54328
1595.0000 -48.36449 -46.40260 1.96189 2.07017 -46.19258 762.72301
1600.0000 -48.77507 -46.85579 1.91928 1.98299 -46.85615 693.80658
1605.0000 -48.68449 -46.79519 1.88931 1.99982 -46.72806 719.76781
1610.0000 -49.11632 -47.32757 1.78876 1.91489 -47.37449 634.72812
1615.0000 -48.65517 -46.18085 2.47432 2.01703 -46.59708 760.49270
1620.0000 -47.72120 -45.68126 2.03993 2.04581 -46.37797 696.35299
1625.0000 -47.65377 -45.09026 2.56351 2.16625 -45.46127 843.46856
1630.0000 -47.34456 -46.03051 1.31405 2.11776 -45.83034 757.55395
1635.0000 -48.06634 -45.75124 2.31510 2.08852 -46.05288 819.98678
1640.0000 -47.43660 -45.30296 2.13364 2.14754 -45.60363 832.23205
1645.0000 -48.47138 -46.50009 1.97129 2.13186 -45.72299 838.06054
1650.0000 -47.77271 -45.77825 1.99447 2.05805 -46.28480 763.51433
1655.0000 -47.04458 -45.12424 1.92034 2.17494 -45.39510 844.58064
1660.0000 -49.06118 -45.89381 3.16738 2.19441 -45.24692 913.90848
1665.0000 -47.16847 -45.01524 2.15323 2.13169 -45.72431 900.47542
1670.0000 -48.32655 -46.06851 2.25804 2.14172 -45.64794 814.75198
1675.0000 -48.11481 -45.90524 2.20957 2.06557 -46.22754 705.73901
1680.0000 -47.18459 -45.41574 1.76885 2.17340 -45.40683 883.73661
1685.0000 -48.41404 -45.87609 2.53795 2.17672 -45.38158 860.66384
1690.0000 -48.00911 -46.00704 2.00207 2.10605 -45.91949 838.59201
1695.0000 -48.41337 -46.35742 2.05595 2.11363 -45.86180 793.21790
1700.0000 -48.33501 -46.16221 2.17280 1.96513 -46.99211 709.09290
1705.0000 -48.65116 -46.74116 1.91001 2.05155 -46.33426 771.20313
1710.0000 -48.72323 -47.24706 1.47617 1.93984 -47.18461 671.13352
1715.0000 -48.10486 -46.19235 1.91251 1.99602 -46.75699 731.33872
1720.0000 -47.59767 -45.75461 1.84306 2.10493 -45.92801 762.79687
1725.0000 -47.96037 -46.03127 1.92910 2.08411 -46.08647 780.50229
1730.0000 -49.08224 -46.82686 2.25538 2.08605 -46.07166 788.11460
1735.0000 -48.57251 -46.60612 1.96639 1.97495 -46.91738 691.20984
1740.0000 -48.36365 -46.74910 1.61455 1.99949 -46.73052 722.86918
1745.0000 -48.47869 -46.78702 1.69168 1.96193 -47.01646 674.40967
1750.0000 -48.12222 -46.36952 1.75270 2.09149 -46.03028 849.92211
FREEZING PROCESS: loop number 8 T-loop= 782.00000000000000
main_MD> interactions number 8 at Temperature= 782.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52300 1.40708 4.16789
force_rgl> df(natom) 2.47592 3.49457 1.01034
1755.0000 -48.02482 -46.26281 1.76200 2.08547 -46.07609 803.82019
1760.0000 -48.76865 -46.38057 2.38808 2.05769 -46.28759 736.17724
1765.0000 -48.14478 -46.17195 1.97283 2.09995 -45.96593 786.88069
1770.0000 -47.96982 -45.78816 2.18166 2.06335 -46.24448 775.08546
1775.0000 -47.89773 -45.32120 2.57653 2.12497 -45.77544 798.97328
1780.0000 -48.45511 -46.70740 1.74771 2.14261 -45.64114 820.65968
1785.0000 -48.15834 -46.56403 1.59431 2.00142 -46.71590 635.86633
1790.0000 -48.94246 -46.55156 2.39091 2.08983 -46.04294 787.78825
1795.0000 -47.82605 -45.47619 2.34986 2.10275 -45.94456 820.68594
1800.0000 -47.25507 -45.77164 1.48343 2.14918 -45.59119 838.97687
1805.0000 -48.51916 -45.60981 2.90935 2.16705 -45.45511 854.49353
1810.0000 -48.56122 -46.23893 2.32230 2.03404 -46.46758 720.25863
1815.0000 -48.68188 -46.75823 1.92365 2.06550 -46.22814 706.14375
1820.0000 -47.95340 -46.30490 1.64850 2.00615 -46.67983 638.03389
1825.0000 -49.13519 -47.21035 1.92484 1.97990 -46.87968 686.05804
1830.0000 -48.19418 -46.25999 1.93419 2.00063 -46.72186 712.63993
1835.0000 -48.48145 -46.39692 2.08453 2.03467 -46.46281 783.53860
1840.0000 -49.29879 -47.03356 2.26523 1.96761 -46.97320 710.88545
1845.0000 -47.72080 -45.96183 1.75896 2.05643 -46.29713 757.59571
1850.0000 -48.21137 -46.48132 1.73005 2.03891 -46.43051 683.23499
1855.0000 -48.95999 -47.16852 1.79147 1.98767 -46.82051 696.44039
1860.0000 -49.04945 -47.05949 1.98996 2.00279 -46.70545 753.14824
1865.0000 -49.16689 -46.87467 2.29222 1.99147 -46.79157 704.84586
1870.0000 -48.42659 -46.32920 2.09739 2.03663 -46.44789 747.71731
1875.0000 -48.01293 -45.85598 2.15695 2.11886 -45.82197 892.93854
1880.0000 -47.51996 -45.86630 1.65366 2.10610 -45.91909 804.92965
1885.0000 -47.81636 -45.86292 1.95344 2.10689 -45.91310 707.59774
1890.0000 -47.68726 -45.11052 2.57674 2.13726 -45.68187 797.97653
1895.0000 -47.84701 -45.62808 2.21893 2.14945 -45.58910 792.19436
1900.0000 -47.44358 -45.16687 2.27671 2.13240 -45.71886 782.52773
1905.0000 -48.05871 -46.45218 1.60653 2.08284 -46.09614 789.07841
1910.0000 -48.60302 -46.27963 2.32339 2.05375 -46.31752 819.09907
1915.0000 -48.34481 -46.35607 1.98875 2.07300 -46.17105 783.18896
1920.0000 -48.19631 -46.53504 1.66126 2.04775 -46.36322 686.19312
1925.0000 -48.07449 -46.31424 1.76025 2.07870 -46.12761 792.84887
1930.0000 -47.54642 -45.63745 1.90896 2.09048 -46.03798 781.87626
1935.0000 -47.91383 -45.85214 2.06169 2.17694 -45.37986 814.78795
1940.0000 -48.21568 -46.30830 1.90739 2.04461 -46.38715 724.93950
1945.0000 -48.71660 -46.60025 2.11635 2.03510 -46.45952 753.58275
1950.0000 -48.61729 -46.58436 2.03293 2.03153 -46.48664 722.20861
1955.0000 -48.37438 -46.22629 2.14808 2.05085 -46.33960 698.11486
1960.0000 -48.24109 -45.57432 2.66677 2.13681 -45.68533 843.99011
1965.0000 -48.35450 -46.40782 1.94669 2.11470 -45.85364 788.41313
1970.0000 -48.70620 -46.62523 2.08098 2.01425 -46.61821 671.62818
1975.0000 -48.98567 -47.40371 1.58196 1.95661 -47.05695 613.71117
1980.0000 -47.65121 -45.61860 2.03261 1.99550 -46.76091 663.28248
1985.0000 -48.57483 -45.92647 2.64836 2.09566 -45.99857 778.43410
1990.0000 -48.38881 -46.39849 1.99032 2.03005 -46.49794 736.43049
1995.0000 -49.03072 -46.15554 2.87518 2.06071 -46.26455 747.59457
2000.0000 -48.17810 -46.19459 1.98351 2.03843 -46.43416 788.77102
FREEZING PROCESS: loop number 9 T-loop= 757.00000000000000
main_MD> interactions number 9 at Temperature= 757.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.66301 -0.96419 2.98401
force_rgl> df(natom) -2.25252 -0.73309 -2.24260
2005.0000 -47.82185 -45.74793 2.07392 2.04507 -46.38362 716.26807
2010.0000 -48.74914 -46.38678 2.36236 2.06566 -46.22687 779.52924
2015.0000 -48.02954 -45.89329 2.13625 2.10578 -45.92154 800.36096
2020.0000 -48.38316 -45.74912 2.63404 2.15562 -45.54212 857.76852
2025.0000 -47.97876 -45.93731 2.04146 2.13059 -45.73270 790.77856
2030.0000 -48.22628 -45.72707 2.49921 2.10758 -45.90783 805.55658
2035.0000 -48.30291 -46.18719 2.11571 2.07866 -46.12796 836.79137
2040.0000 -47.96812 -46.24795 1.72017 2.04063 -46.41744 701.38412
2045.0000 -48.29431 -46.04827 2.24603 2.05514 -46.30696 709.39215
2050.0000 -48.16843 -45.24778 2.92066 2.16655 -45.45898 833.41751
2055.0000 -48.61056 -46.87874 1.73182 2.08176 -46.10438 758.52330
2060.0000 -48.11163 -46.47811 1.63352 2.04350 -46.39560 751.21469
2065.0000 -48.27912 -46.53551 1.74361 2.05084 -46.33972 773.69876
2070.0000 -48.63466 -46.54801 2.08665 2.02511 -46.53555 770.49359
2075.0000 -48.64261 -47.10905 1.53356 1.95616 -47.06037 679.36442
2080.0000 -48.25643 -46.32262 1.93381 2.01543 -46.60921 730.53780
2085.0000 -48.22981 -46.61110 1.61871 2.00417 -46.69496 649.99318
2090.0000 -48.50671 -46.53438 1.97233 2.04165 -46.40967 778.07770
2095.0000 -48.73972 -46.73468 2.00504 2.02402 -46.54384 737.42268
2100.0000 -48.71708 -46.69655 2.02053 1.99280 -46.78148 722.97098
2105.0000 -48.93870 -47.00635 1.93235 1.94281 -47.16197 640.97774
2110.0000 -48.22574 -46.46372 1.76202 1.98087 -46.87229 696.27207
2115.0000 -48.45544 -46.53413 1.92131 2.04216 -46.40573 738.89021
2120.0000 -48.60035 -47.01779 1.58256 1.99456 -46.76805 692.54192
2125.0000 -47.90385 -45.80930 2.09455 1.99143 -46.79194 701.41364
2130.0000 -48.32374 -46.09949 2.22425 2.09107 -46.03350 813.93665
2135.0000 -48.32696 -46.62487 1.70209 2.02331 -46.54926 750.09482
2140.0000 -47.90031 -46.22563 1.67468 2.07151 -46.18240 770.79289
2145.0000 -48.24226 -46.20575 2.03651 2.10890 -45.89777 807.07580
2150.0000 -47.43096 -45.76146 1.66950 2.12848 -45.74875 850.06356
2155.0000 -47.34198 -45.65951 1.68246 2.09919 -45.97170 717.94723
2160.0000 -48.58673 -46.55517 2.03156 2.07115 -46.18508 771.74485
2165.0000 -48.90601 -46.49682 2.40919 2.01332 -46.62530 720.08582
2170.0000 -48.11775 -45.83291 2.28484 2.04199 -46.40710 703.41486
2175.0000 -48.25758 -46.19746 2.06012 2.06388 -46.24043 723.66081
2180.0000 -48.27970 -45.56867 2.71103 2.16598 -45.46327 849.29980
2185.0000 -49.13581 -47.16146 1.97435 2.05933 -46.27504 742.59645
2190.0000 -48.58994 -46.91879 1.67115 1.95896 -47.03905 696.44268
2195.0000 -48.82449 -46.78966 2.03483 2.01974 -46.57644 712.50085
2200.0000 -48.79253 -47.07214 1.72040 1.95962 -47.03402 677.75151
2205.0000 -48.15486 -46.26196 1.89290 2.02542 -46.53316 730.26598
2210.0000 -48.98639 -46.63670 2.34969 2.02382 -46.54537 717.56658
2215.0000 -48.25968 -46.63669 1.62299 1.99974 -46.72863 693.54957
2220.0000 -48.43073 -46.12671 2.30402 2.08230 -46.10027 836.84356
2225.0000 -48.27047 -46.11665 2.15382 2.08267 -46.09742 786.77184
2230.0000 -47.98447 -46.21594 1.76853 2.07090 -46.18699 765.89264
2235.0000 -48.77052 -46.32166 2.44886 2.02463 -46.53920 724.45719
2240.0000 -48.50433 -46.81997 1.68436 2.03230 -46.48082 768.07840
2245.0000 -48.60129 -45.74140 2.85989 2.02945 -46.50248 759.93361
2250.0000 -48.60751 -46.30788 2.29963 2.10791 -45.90529 861.04967
FREEZING PROCESS: loop number 10 T-loop= 732.00000000000000
main_MD> interactions number 10 at Temperature= 732.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43334 1.12066 -2.47172
force_rgl> df(natom) 1.89133 0.95846 1.28584
2255.0000 -48.42781 -46.23363 2.19418 2.05022 -46.34438 725.21685
2260.0000 -48.60433 -46.86129 1.74304 1.96954 -46.95851 656.30984
2265.0000 -48.03783 -46.67623 1.36160 1.99551 -46.76082 692.97974
2270.0000 -48.09071 -46.19550 1.89520 2.06515 -46.23076 782.55934
2275.0000 -47.79302 -45.80581 1.98722 2.10095 -45.95825 760.23277
2280.0000 -48.17864 -45.65286 2.52577 2.14007 -45.66050 885.40527
2285.0000 -48.21120 -45.54535 2.66585 2.11107 -45.88126 859.02279
2290.0000 -48.16970 -46.17021 1.99949 2.13697 -45.68410 822.19551
2295.0000 -48.07731 -46.12021 1.95710 2.09629 -45.99377 842.22273
2300.0000 -47.40847 -45.20986 2.19861 2.12554 -45.77108 777.33613
2305.0000 -48.31888 -46.34028 1.97859 2.14123 -45.65169 853.94333
2310.0000 -48.58847 -46.64806 1.94040 2.07156 -46.18195 854.33526
2315.0000 -48.97460 -46.69091 2.28369 1.96754 -46.97379 617.38864
2320.0000 -48.29130 -46.42846 1.86284 2.01921 -46.58044 738.61498
2325.0000 -48.42345 -45.41199 3.01146 2.07792 -46.13356 822.27279
2330.0000 -47.51147 -45.48237 2.02910 2.17223 -45.41574 889.13387
2335.0000 -47.90909 -45.72192 2.18717 2.14946 -45.58901 870.80491
2340.0000 -47.86323 -45.85716 2.00607 2.12628 -45.76549 802.41551
2345.0000 -48.61355 -45.90586 2.70769 2.12252 -45.79412 809.46490
2350.0000 -48.28225 -46.15479 2.12746 1.98160 -46.86676 705.77613
2355.0000 -48.28105 -45.56204 2.71901 2.06170 -46.25705 776.65619
2360.0000 -48.16531 -46.51823 1.64709 2.13278 -45.71603 828.00913
2365.0000 -48.75659 -46.91944 1.83715 2.07683 -46.14184 731.58486
2370.0000 -48.34956 -46.49504 1.85452 2.00782 -46.66713 675.10061
2375.0000 -47.38257 -45.47499 1.90758 2.06346 -46.24365 789.76039
2380.0000 -48.52757 -46.51144 2.01613 2.09495 -46.00398 793.23940
2385.0000 -48.45416 -46.42588 2.02829 2.02824 -46.51170 715.79355
2390.0000 -48.17822 -45.64677 2.53145 2.07596 -46.14846 783.44207
2395.0000 -48.75471 -45.96775 2.78696 2.14466 -45.62560 920.83737
2400.0000 -47.66473 -45.94075 1.72398 2.15333 -45.55960 864.86985
2405.0000 -48.47786 -45.94342 2.53443 2.08393 -46.08784 775.50393
2410.0000 -47.47533 -45.96708 1.50825 2.06883 -46.20280 692.69299
2415.0000 -47.48331 -45.77404 1.70927 2.11410 -45.85815 771.57320
2420.0000 -48.28149 -46.15140 2.13009 2.06502 -46.23178 738.46591
2425.0000 -48.79111 -46.91622 1.87489 2.06597 -46.22451 786.28531
2430.0000 -48.92904 -46.78596 2.14308 1.96484 -46.99431 665.43947
2435.0000 -48.53335 -46.55598 1.97737 1.95053 -47.10324 634.49560
2440.0000 -48.51120 -46.80574 1.70547 1.98742 -46.82246 694.30562
2445.0000 -48.64114 -46.89556 1.74558 1.98110 -46.87057 653.94448
2450.0000 -49.45854 -46.63454 2.82400 2.02655 -46.52462 731.18741
2455.0000 -48.93039 -46.68371 2.24667 2.00642 -46.67779 734.31593
2460.0000 -48.68409 -46.33865 2.34544 1.99870 -46.73656 735.59859
2465.0000 -48.14432 -46.10208 2.04224 2.01755 -46.59308 739.98628
2470.0000 -47.79625 -46.61981 1.17644 2.04206 -46.40653 690.76570
2475.0000 -48.59494 -47.21129 1.38366 1.98703 -46.82540 630.91960
2480.0000 -48.82787 -46.74144 2.08643 1.96014 -47.03004 649.52088
2485.0000 -48.39100 -46.56129 1.82971 2.01201 -46.63522 719.07366
2490.0000 -47.84771 -45.82890 2.01882 2.06588 -46.22518 778.51573
2495.0000 -47.91062 -46.07062 1.84000 2.08980 -46.04318 717.87979
2500.0000 -47.68242 -45.16855 2.51388 2.13193 -45.72248 827.92932
FREEZING PROCESS: loop number 11 T-loop= 707.00000000000000
main_MD> interactions number 11 at Temperature= 707.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13143 -0.83304 0.90948
force_rgl> df(natom) 3.36722 -2.02563 -3.50873
2505.0000 -47.19337 -45.66221 1.53116 2.13317 -45.71306 833.50977
2510.0000 -48.33296 -46.17589 2.15707 2.06621 -46.22269 807.97279
2515.0000 -47.53104 -44.98236 2.54868 2.13566 -45.69406 816.71477
2520.0000 -48.44024 -45.50122 2.93902 2.17953 -45.36014 833.05885
2525.0000 -48.39014 -46.60330 1.78684 2.10405 -45.93472 735.24486
2530.0000 -48.62908 -46.46306 2.16601 1.98440 -46.84539 643.72401
2535.0000 -48.92309 -46.59445 2.32864 2.06912 -46.20053 777.43304
2540.0000 -48.69991 -46.58867 2.11124 2.07970 -46.12002 772.39221
2545.0000 -47.79607 -46.18067 1.61541 2.05210 -46.33010 695.63288
2550.0000 -48.43167 -47.10114 1.33053 2.03520 -46.45873 701.93110
2555.0000 -49.38585 -47.33720 2.04865 1.97703 -46.90149 689.93924
2560.0000 -48.43896 -46.48359 1.95537 2.01555 -46.60829 727.18011
2565.0000 -48.47003 -46.72279 1.74723 2.04094 -46.41504 710.19823
2570.0000 -48.07623 -46.64115 1.43508 1.98996 -46.80312 652.11861
2575.0000 -49.03201 -46.95854 2.07347 2.02160 -46.56226 752.77849
2580.0000 -48.20496 -46.21933 1.98563 2.00962 -46.65343 741.67867
2585.0000 -48.61837 -46.60330 2.01506 2.05008 -46.34547 782.74366
2590.0000 -49.26278 -47.09930 2.16348 1.98785 -46.81917 694.34688
2595.0000 -48.39577 -46.69896 1.69681 1.95318 -47.08306 703.19252
2600.0000 -48.65017 -46.89630 1.75386 2.00915 -46.65704 709.72959
2605.0000 -48.77461 -46.19088 2.58372 1.98245 -46.86024 689.85812
2610.0000 -49.02293 -47.02388 1.99904 2.00919 -46.65675 733.40737
2615.0000 -49.11253 -47.01566 2.09686 1.95819 -47.04496 646.16960
2620.0000 -48.94814 -47.10328 1.84486 1.93968 -47.18581 629.75842
2625.0000 -48.51682 -46.60269 1.91412 1.98700 -46.82560 734.45890
2630.0000 -47.65019 -45.33649 2.31369 2.13619 -45.69001 858.90620
2635.0000 -47.62009 -45.96582 1.65428 2.17884 -45.36541 828.45308
2640.0000 -49.13250 -47.30145 1.83105 2.05769 -46.28753 726.58205
2645.0000 -48.31717 -46.81922 1.49795 1.95831 -47.04401 625.68253
2650.0000 -48.55176 -46.44241 2.10935 2.04020 -46.42065 715.01314
2655.0000 -47.99412 -45.84084 2.15328 2.05075 -46.34035 755.98778
2660.0000 -49.22014 -47.01116 2.20897 2.06292 -46.24776 791.28194
2665.0000 -48.58273 -46.83270 1.75003 2.01566 -46.60745 740.94563
2670.0000 -48.23520 -45.73082 2.50438 2.07832 -46.13050 778.71043
2675.0000 -48.60612 -46.49237 2.11376 2.06045 -46.26654 738.36762
2680.0000 -49.11637 -47.45350 1.66286 1.94992 -47.10786 668.41704
2685.0000 -47.77729 -46.42250 1.35479 1.97143 -46.94410 683.89852
2690.0000 -48.94376 -46.70855 2.23520 2.02889 -46.50674 758.95305
2695.0000 -48.90415 -46.94524 1.95891 1.99293 -46.78048 745.54775
2700.0000 -48.97131 -46.73089 2.24041 1.97068 -46.94982 624.51195
2705.0000 -48.92133 -46.91269 2.00864 1.94625 -47.13584 671.13098
2710.0000 -48.72223 -47.15307 1.56916 1.98215 -46.86256 680.49081
2715.0000 -48.49713 -46.66669 1.83044 2.04623 -46.37480 759.99654
2720.0000 -48.36647 -46.56296 1.80351 1.99954 -46.73020 722.62086
2725.0000 -48.38955 -46.74965 1.63990 2.03896 -46.43012 740.24090
2730.0000 -48.42118 -46.43430 1.98687 2.02046 -46.57093 738.31244
2735.0000 -49.05196 -46.84899 2.20297 2.02635 -46.52608 744.72091
2740.0000 -48.08617 -44.97952 3.10665 2.13222 -45.72025 830.17266
2745.0000 -47.48001 -45.41312 2.06689 2.21238 -45.11012 873.38466
2750.0000 -48.38797 -46.65201 1.73596 2.10612 -45.91890 773.68764
FREEZING PROCESS: loop number 12 T-loop= 682.00000000000000
main_MD> interactions number 12 at Temperature= 682.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36219 1.69802 -2.88456
force_rgl> df(natom) -2.52308 -3.23141 1.05837
2755.0000 -48.45929 -46.33211 2.12717 2.04926 -46.35172 690.99446
2760.0000 -48.69059 -46.95346 1.73713 1.96494 -46.99351 623.25111
2765.0000 -48.36956 -46.61470 1.75485 1.95469 -47.07154 626.70189
2770.0000 -47.90849 -46.59236 1.31614 2.02462 -46.53928 715.59229
2775.0000 -48.74830 -47.15312 1.59519 1.98534 -46.83826 649.05755
2780.0000 -49.09408 -47.67023 1.42385 1.92387 -47.30615 570.08174
2785.0000 -48.43020 -46.73545 1.69475 1.94858 -47.11806 586.30701
2790.0000 -48.42610 -47.00970 1.41639 1.98119 -46.86986 645.54962
2795.0000 -48.50074 -46.34380 2.15694 2.02486 -46.53747 744.55117
2800.0000 -48.53942 -46.63152 1.90791 2.06985 -46.19499 736.24222
2805.0000 -49.22049 -46.95086 2.26963 1.99782 -46.74329 695.76517
2810.0000 -49.13382 -47.02583 2.10798 1.96168 -47.01837 655.16118
2815.0000 -48.92037 -47.05498 1.86539 1.95056 -47.10297 639.17171
2820.0000 -48.78087 -46.31422 2.46665 2.02951 -46.50204 714.98586
2825.0000 -48.39506 -46.74619 1.64887 2.04250 -46.40318 773.76696
2830.0000 -49.20903 -47.49626 1.71277 1.95790 -47.04709 681.94370
2835.0000 -49.22179 -47.64842 1.57336 1.87118 -47.70721 573.68107
2840.0000 -48.73672 -46.47629 2.26042 1.96226 -47.01398 687.32878
2845.0000 -48.92294 -46.96642 1.95653 1.95108 -47.09904 681.84155
2850.0000 -48.92377 -47.47710 1.44666 1.91023 -47.40995 636.94381
2855.0000 -49.20972 -47.26588 1.94384 1.91025 -47.40982 610.46216
2860.0000 -49.13547 -46.77902 2.35644 1.98343 -46.85277 700.34386
2865.0000 -47.99273 -45.98928 2.00344 1.99886 -46.73537 668.87886
2870.0000 -48.16198 -45.86426 2.29772 2.07972 -46.11988 744.65480
2875.0000 -49.01270 -46.82912 2.18359 2.04913 -46.35272 761.34509
2880.0000 -49.07643 -46.82765 2.24878 1.93828 -47.19647 663.36834
2885.0000 -48.89115 -46.45198 2.43917 2.02174 -46.56123 757.80030
2890.0000 -48.81855 -47.28682 1.53172 1.94688 -47.13099 659.54467
2895.0000 -48.79496 -46.85683 1.93812 1.95756 -47.04970 629.92691
2900.0000 -48.68635 -46.79954 1.88681 1.98083 -46.87263 631.84650
2905.0000 -48.70017 -46.42237 2.27780 2.00090 -46.71979 673.23359
2910.0000 -48.13041 -46.06538 2.06503 2.07935 -46.12268 787.83591
2915.0000 -49.11961 -47.57432 1.54528 1.99800 -46.74190 748.53837
2920.0000 -49.17904 -47.63734 1.54170 1.89466 -47.52846 596.23424
2925.0000 -48.62477 -46.72891 1.89586 1.90589 -47.44298 622.02670
2930.0000 -48.70085 -47.08984 1.61101 1.99286 -46.78105 697.06941
2935.0000 -49.10400 -46.94048 2.16351 1.96624 -46.98361 689.42418
2940.0000 -48.82365 -47.18885 1.63480 1.95081 -47.10110 657.90053
2945.0000 -47.98231 -45.63970 2.34261 2.07997 -46.11799 834.87098
2950.0000 -47.96448 -45.92745 2.03704 2.18367 -45.32862 939.21607
2955.0000 -49.33230 -47.33364 1.99866 1.96336 -47.00558 686.90480
2960.0000 -49.32346 -47.20702 2.11644 1.91425 -47.37937 625.09103
2965.0000 -48.98847 -46.92259 2.06589 1.95817 -47.04506 677.74009
2970.0000 -48.87326 -47.20671 1.66655 1.94820 -47.12096 677.57328
2975.0000 -49.34982 -47.77978 1.57004 1.91830 -47.34858 577.76098
2980.0000 -49.43846 -47.90321 1.53525 1.87099 -47.70865 567.83008
2985.0000 -48.98501 -47.34420 1.64081 1.91022 -47.41003 636.30710
2990.0000 -49.01226 -46.98167 2.03060 1.92557 -47.29322 651.96466
2995.0000 -48.89869 -47.32345 1.57524 1.92854 -47.27064 637.99476
3000.0000 -49.67434 -47.56357 2.11077 1.95288 -47.08534 689.51059
FREEZING PROCESS: loop number 13 T-loop= 657.00000000000000
main_MD> interactions number 13 at Temperature= 657.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.46246 -0.73660 -2.01336
force_rgl> df(natom) -3.49696 2.28048 0.10125
3005.0000 -49.18513 -47.80814 1.37699 1.89462 -47.52880 594.80636
3010.0000 -48.89715 -47.48282 1.41433 1.87963 -47.64285 545.74223
3015.0000 -48.72013 -47.25116 1.46897 1.94899 -47.11498 612.46417
3020.0000 -49.13097 -46.95456 2.17642 1.92550 -47.29377 637.19126
3025.0000 -47.76189 -45.62657 2.13532 2.03212 -46.48222 788.71655
3030.0000 -48.69653 -46.35751 2.33902 2.06753 -46.21267 788.71020
3035.0000 -48.89040 -47.01882 1.87158 2.02837 -46.51074 752.22460
3040.0000 -48.35696 -45.94546 2.41150 2.06066 -46.26497 737.66415
3045.0000 -48.46410 -46.68315 1.78095 2.00240 -46.70840 691.49620
3050.0000 -48.72686 -47.03723 1.68963 1.97555 -46.91279 611.50202
3055.0000 -49.16358 -46.80556 2.35802 1.95623 -47.05981 672.36576
3060.0000 -48.61232 -46.91077 1.70155 1.95655 -47.05739 666.75215
3065.0000 -48.23476 -46.20758 2.02718 2.02046 -46.57097 731.38852
3070.0000 -48.77548 -46.93299 1.84249 2.00945 -46.65475 723.50708
3075.0000 -49.31812 -47.35843 1.95969 1.95574 -47.06357 669.26759
3080.0000 -48.96425 -47.12606 1.83819 1.98740 -46.82256 667.46732
3085.0000 -49.15646 -47.48554 1.67092 1.92526 -47.29560 600.71942
3090.0000 -48.99691 -47.11474 1.88217 1.96291 -47.00896 687.80844
3095.0000 -48.32166 -46.02506 2.29660 1.97661 -46.90468 728.18331
3100.0000 -49.52071 -47.42655 2.09416 2.01851 -46.58581 788.60148
3105.0000 -49.00256 -47.18282 1.81974 1.91428 -47.37911 637.57155
3110.0000 -48.56707 -46.98363 1.58344 1.93954 -47.18684 636.97512
3115.0000 -49.05137 -47.34368 1.70769 1.98739 -46.82269 685.91533
3120.0000 -48.85951 -47.09057 1.76894 1.93525 -47.21952 669.20921
3125.0000 -49.12800 -47.65811 1.46989 1.90909 -47.41863 596.27907
3130.0000 -49.24955 -47.58919 1.66036 1.92348 -47.30910 681.25304
3135.0000 -49.04361 -47.71407 1.32955 1.89635 -47.51560 621.33717
3140.0000 -49.10755 -46.98052 2.12703 1.94749 -47.12639 658.55620
3145.0000 -48.62094 -46.21819 2.40275 2.03527 -46.45821 773.76997
3150.0000 -49.10462 -47.17271 1.93191 2.01681 -46.59876 706.53946
3155.0000 -47.93773 -46.30970 1.62803 1.98878 -46.81206 683.88965
3160.0000 -47.52243 -45.99605 1.52638 2.07911 -46.12452 761.56844
3165.0000 -48.70984 -46.72693 1.98291 2.03594 -46.45307 763.38438
3170.0000 -48.64038 -46.72382 1.91656 1.97626 -46.90737 677.98627
3175.0000 -49.19021 -46.92418 2.26603 1.95984 -47.03233 684.46380
3180.0000 -48.91340 -47.29016 1.62324 1.93194 -47.24473 652.59107
3185.0000 -48.94155 -46.93965 2.00190 1.97142 -46.94422 706.68827
3190.0000 -48.75361 -47.17053 1.58308 1.95457 -47.07248 657.64106
3195.0000 -48.51164 -46.64564 1.86600 2.00082 -46.72046 716.45910
3200.0000 -48.31006 -46.61821 1.69185 1.98912 -46.80952 672.85531
3205.0000 -48.31736 -45.82363 2.49373 2.06900 -46.20146 746.56458
3210.0000 -48.47066 -46.87499 1.59568 2.00587 -46.68201 731.65581
3215.0000 -48.67272 -46.38763 2.28509 2.01311 -46.62686 740.02726
3220.0000 -48.46531 -46.93924 1.52607 2.06079 -46.26397 733.46256
3225.0000 -49.05787 -46.87150 2.18637 1.98107 -46.87078 680.80762
3230.0000 -48.59838 -46.78855 1.80983 2.02295 -46.55202 760.16890
3235.0000 -49.41947 -47.37606 2.04341 1.99503 -46.76453 713.41336
3240.0000 -48.95378 -47.34091 1.61287 1.86678 -47.74069 580.45702
3245.0000 -48.90185 -47.07261 1.82924 1.91850 -47.34703 625.62485
3250.0000 -48.75023 -46.54083 2.20940 1.97952 -46.88253 711.35818
FREEZING PROCESS: loop number 14 T-loop= 632.00000000000000
main_MD> interactions number 14 at Temperature= 632.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10905 -0.45851 -1.12621
force_rgl> df(natom) 1.92023 -0.26754 -1.50972
3255.0000 -48.40130 -46.64535 1.75594 2.01965 -46.57707 673.00799
3260.0000 -49.07241 -47.33062 1.74180 1.93973 -47.18542 646.51598
3265.0000 -49.21914 -47.28597 1.93317 1.94454 -47.14879 665.41753
3270.0000 -48.90657 -47.13854 1.76803 1.92178 -47.32205 616.05916
3275.0000 -48.98879 -47.74011 1.24868 1.93083 -47.25319 625.59783
3280.0000 -49.37425 -47.86375 1.51050 1.86031 -47.78991 526.19239
3285.0000 -49.37429 -47.38984 1.98445 1.89337 -47.53833 596.12873
3290.0000 -49.57641 -48.14597 1.43044 1.88928 -47.56947 627.08017
3295.0000 -48.69831 -47.38660 1.31171 1.88240 -47.62182 589.63608
3300.0000 -48.55050 -46.28913 2.26138 1.97086 -46.94848 686.70968
3305.0000 -47.99255 -46.24703 1.74552 2.07053 -46.18979 764.20226
3310.0000 -48.72114 -46.62794 2.09320 2.04060 -46.41764 730.17825
3315.0000 -48.80931 -46.88305 1.92626 2.01687 -46.59825 705.44946
3320.0000 -48.71738 -47.05652 1.66085 1.97136 -46.94466 672.12452
3325.0000 -48.56323 -46.74339 1.81984 1.96673 -46.97993 622.63545
3330.0000 -48.98533 -47.18877 1.79656 1.95801 -47.04630 616.41686
3335.0000 -49.02752 -47.23961 1.78791 1.95472 -47.07129 643.28623
3340.0000 -49.93223 -48.23421 1.69803 1.93594 -47.21431 656.67498
3345.0000 -49.27116 -47.82405 1.44711 1.82423 -48.06455 534.88505
3350.0000 -49.06529 -47.36281 1.70248 1.86398 -47.76204 588.43717
3355.0000 -49.41857 -47.96876 1.44981 1.93043 -47.25623 647.40164
3360.0000 -48.33576 -46.79972 1.53604 1.90085 -47.48139 625.79664
3365.0000 -49.14991 -47.72303 1.42689 1.87005 -47.71583 560.16292
3370.0000 -49.29871 -47.79070 1.50801 1.91584 -47.36725 639.57082
3375.0000 -49.07476 -47.56904 1.50572 1.87476 -47.67998 548.86565
3380.0000 -48.88918 -47.55270 1.33648 1.88132 -47.63001 590.54346
3385.0000 -49.28323 -47.08315 2.20008 1.98758 -46.82120 699.01441
3390.0000 -48.93271 -46.98172 1.95099 1.96113 -47.02255 666.58708
3395.0000 -48.86031 -47.05195 1.80836 1.96890 -46.96340 690.92289
3400.0000 -48.21880 -46.15922 2.05959 1.97970 -46.88119 692.85592
3405.0000 -48.71516 -46.54266 2.17249 1.99912 -46.73340 635.34463
3410.0000 -48.89245 -46.73856 2.15389 1.99887 -46.73526 721.99587
3415.0000 -48.66705 -46.93397 1.73308 2.00792 -46.66642 746.28894
3420.0000 -49.46473 -47.62386 1.84087 1.92285 -47.31390 641.16835
3425.0000 -49.05204 -47.53157 1.52046 1.83109 -48.01233 516.16390
3430.0000 -49.27431 -47.06306 2.21125 1.96453 -46.99668 667.06152
3435.0000 -48.93198 -47.66866 1.26332 1.88774 -47.58120 586.31556
3440.0000 -48.58317 -46.53302 2.05015 1.95819 -47.04489 654.76354
3445.0000 -47.54843 -46.29010 1.25833 2.08786 -46.05793 739.73453
3450.0000 -48.30059 -46.52967 1.77092 2.06835 -46.20642 722.65991
3455.0000 -48.87309 -47.21324 1.65985 1.94773 -47.12450 599.98098
3460.0000 -49.11024 -47.69578 1.41446 1.91230 -47.39420 579.62711
3465.0000 -49.03663 -47.34000 1.69663 1.83864 -47.95489 536.31279
3470.0000 -49.12156 -47.11144 2.01012 1.92227 -47.31830 640.95121
3475.0000 -49.45210 -47.20975 2.24235 1.90635 -47.43953 603.93748
3480.0000 -48.55287 -46.68579 1.86708 1.93405 -47.22869 670.48450
3485.0000 -49.00419 -47.08701 1.91717 1.96930 -46.96032 679.36907
3490.0000 -47.97214 -46.18619 1.78595 2.00497 -46.68882 689.08579
3495.0000 -48.60204 -46.53482 2.06722 2.07549 -46.15203 774.17353
3500.0000 -48.04650 -46.44591 1.60059 2.04111 -46.41374 739.42695
FREEZING PROCESS: loop number 15 T-loop= 607.00000000000000
main_MD> interactions number 15 at Temperature= 607.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31064 -1.78017 -1.11315
force_rgl> df(natom) 1.96221 -0.41515 1.51443
3505.0000 -48.66093 -46.81880 1.84213 2.00501 -46.68856 640.24475
3510.0000 -48.88077 -46.93541 1.94536 1.96806 -46.96980 709.64383
3515.0000 -49.53953 -48.09145 1.44807 1.87512 -47.67721 540.55962
3520.0000 -49.25765 -47.92496 1.33269 1.81966 -48.09935 517.56467
3525.0000 -49.30417 -48.01173 1.29244 1.83377 -47.99197 518.02162
3530.0000 -48.79560 -47.51535 1.28026 1.82014 -48.09571 505.54567
3535.0000 -49.31669 -47.49960 1.81709 1.89870 -47.49774 611.98913
3540.0000 -48.99268 -47.28969 1.70299 1.90607 -47.44163 619.57746
3545.0000 -49.03442 -47.14116 1.89326 1.95070 -47.10194 654.05050
3550.0000 -48.88174 -47.16100 1.72074 1.95077 -47.10136 640.45688
3555.0000 -49.08410 -47.23296 1.85114 1.89216 -47.54752 571.58313
3560.0000 -49.59799 -48.09363 1.50437 1.89818 -47.50172 593.37534
3565.0000 -48.99905 -47.32153 1.67751 1.82079 -48.09072 515.59573
3570.0000 -49.12115 -47.04441 2.07675 1.94807 -47.12196 669.36850
3575.0000 -48.87799 -47.01211 1.86587 1.94422 -47.15127 646.46928
3580.0000 -49.09184 -47.38327 1.70857 1.92449 -47.30145 629.66305
3585.0000 -49.24747 -47.73357 1.51390 1.89894 -47.49590 595.55629
3590.0000 -49.38723 -48.08616 1.30108 1.85724 -47.81333 569.91020
3595.0000 -48.65710 -47.31768 1.33941 1.92781 -47.27618 638.81371
3600.0000 -48.96858 -47.34919 1.61940 1.94286 -47.16159 673.35896
3605.0000 -49.43443 -47.68986 1.74457 1.89271 -47.54333 641.02234
3610.0000 -49.48302 -48.06966 1.41336 1.87803 -47.65506 607.12947
3615.0000 -49.85180 -48.33546 1.51633 1.80998 -48.17307 502.36695
3620.0000 -48.85423 -47.55414 1.30009 1.87337 -47.69055 560.60756
3625.0000 -49.53450 -47.66898 1.86552 1.88550 -47.59823 554.79894
3630.0000 -49.75469 -48.56126 1.19342 1.83798 -47.95989 537.64961
3635.0000 -49.38885 -47.88245 1.50640 1.78144 -48.39026 458.26067
3640.0000 -49.52432 -47.55562 1.96870 1.88473 -47.60405 596.06197
3645.0000 -49.50093 -47.99510 1.50583 1.84895 -47.87643 540.73795
3650.0000 -48.99628 -47.75430 1.24198 1.88396 -47.60992 584.09022
3655.0000 -49.12075 -47.65109 1.46966 1.84689 -47.89210 547.55484
3660.0000 -49.45396 -47.31189 2.14207 1.89757 -47.50637 614.50305
3665.0000 -49.51702 -47.67757 1.83945 1.85436 -47.83522 586.90728
3670.0000 -49.30905 -48.05197 1.25709 1.83773 -47.96179 534.16192
3675.0000 -49.16777 -46.77405 2.39372 1.89277 -47.54286 637.96092
3680.0000 -48.99558 -47.21790 1.77768 1.95578 -47.06328 611.30988
3685.0000 -48.81642 -47.43988 1.37654 1.87842 -47.65211 549.50249
3690.0000 -48.80683 -47.12816 1.67867 1.92797 -47.27493 592.66416
3695.0000 -49.12895 -47.53171 1.59725 1.94621 -47.13608 581.15740
3700.0000 -48.69018 -47.29967 1.39051 1.90166 -47.47521 537.06083
3705.0000 -48.86828 -47.85377 1.01451 1.91164 -47.39922 563.03014
3710.0000 -49.75222 -48.16231 1.58991 1.81777 -48.11375 462.74256
3715.0000 -49.24874 -48.08290 1.16584 1.83011 -48.01981 529.05314
3720.0000 -49.68906 -48.32153 1.36753 1.80572 -48.20545 515.42117
3725.0000 -49.27973 -47.82851 1.45122 1.82986 -48.02173 549.79970
3730.0000 -48.90809 -47.03274 1.87536 1.89383 -47.53478 612.55476
3735.0000 -49.46991 -47.51701 1.95290 1.96421 -46.99910 692.73699
3740.0000 -48.92513 -47.10635 1.81878 1.88797 -47.57943 534.94327
3745.0000 -48.89937 -46.87686 2.02251 1.98528 -46.83870 635.06239
3750.0000 -47.93563 -46.34300 1.59263 2.01106 -46.64247 711.13656
FREEZING PROCESS: loop number 16 T-loop= 582.00000000000000
main_MD> interactions number 16 at Temperature= 582.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30458 0.70736 -1.53480
force_rgl> df(natom) 1.17291 3.13362 -2.48536
3755.0000 -48.43200 -46.63539 1.79661 2.02509 -46.53571 756.71715
3760.0000 -49.19366 -47.53828 1.65538 1.92916 -47.26589 639.58307
3765.0000 -49.32438 -48.14033 1.18404 1.83043 -48.01739 528.68964
3770.0000 -48.56999 -46.81642 1.75357 1.92755 -47.27812 625.47431
3775.0000 -48.72547 -46.87842 1.84705 1.96655 -46.98130 664.59758
3780.0000 -48.74159 -47.00101 1.74058 1.96389 -47.00156 639.25762
3785.0000 -49.44935 -47.84199 1.60737 1.89888 -47.49640 610.89166
3790.0000 -48.45903 -47.58025 0.87879 1.86983 -47.71751 563.98806
3795.0000 -48.62763 -46.66908 1.95855 1.94565 -47.14038 623.72457
3800.0000 -49.21978 -47.26157 1.95821 1.94862 -47.11778 586.72967
3805.0000 -49.20095 -47.73919 1.46176 1.90281 -47.46643 599.78876
3810.0000 -49.36950 -47.85972 1.50978 1.86109 -47.78404 580.12036
3815.0000 -48.95560 -46.94065 2.01495 1.91795 -47.35123 593.15160
3820.0000 -48.56898 -46.92962 1.63936 1.97609 -46.90864 642.90959
3825.0000 -49.09833 -47.74440 1.35392 1.94151 -47.17185 614.04193
3830.0000 -48.86282 -47.12595 1.73687 1.88751 -47.58290 582.98821
3835.0000 -48.86068 -46.86366 1.99703 1.96403 -47.00050 674.00313
3840.0000 -49.21526 -47.79402 1.42124 1.91088 -47.40500 636.02163
3845.0000 -49.55699 -47.77443 1.78256 1.85814 -47.80644 567.48380
3850.0000 -48.57057 -47.05094 1.51963 1.86859 -47.72696 546.62472
3855.0000 -49.33952 -47.96044 1.37908 1.87902 -47.64753 546.71247
3860.0000 -48.99437 -47.54849 1.44588 1.87956 -47.64344 587.94361
3865.0000 -49.44722 -47.53054 1.91668 1.89920 -47.49392 575.35195
3870.0000 -49.23624 -47.90502 1.33122 1.84490 -47.90728 515.69348
3875.0000 -49.03337 -47.81429 1.21909 1.83904 -47.95184 520.72721
3880.0000 -48.90304 -47.59665 1.30639 1.84023 -47.94275 537.91666
3885.0000 -49.70004 -48.13531 1.56473 1.88173 -47.62689 573.53128
3890.0000 -49.60456 -48.43659 1.16796 1.81847 -48.10839 508.91082
3895.0000 -49.75098 -48.61277 1.13821 1.77066 -48.47231 442.11227
3900.0000 -49.46974 -47.98422 1.48552 1.79949 -48.25286 490.37944
3905.0000 -48.79635 -47.30672 1.48963 1.83193 -48.00596 535.03479
3910.0000 -49.46464 -48.13172 1.33292 1.86317 -47.76820 557.28462
3915.0000 -49.50104 -48.14834 1.35269 1.82138 -48.08628 502.05693
3920.0000 -49.10503 -47.85349 1.25154 1.82276 -48.07579 510.23407
3925.0000 -49.64397 -48.12179 1.52218 1.87848 -47.65163 577.28149
3930.0000 -49.05269 -47.75052 1.30217 1.85813 -47.80654 560.28786
3935.0000 -49.39019 -48.40255 0.98765 1.85209 -47.85251 555.79418
3940.0000 -49.26970 -48.13218 1.13752 1.83300 -47.99779 542.56834
3945.0000 -49.19846 -47.89433 1.30413 1.81627 -48.12518 494.36981
3950.0000 -49.82958 -48.32113 1.50845 1.84780 -47.88517 542.68360
3955.0000 -49.99377 -48.16855 1.82522 1.79844 -48.26088 484.05154
3960.0000 -49.49080 -48.05330 1.43751 1.82157 -48.08481 499.57022
3965.0000 -48.88994 -47.24665 1.64329 1.87316 -47.69216 574.92620
3970.0000 -49.59336 -47.90778 1.68558 1.89079 -47.55792 595.44322
3975.0000 -49.01879 -47.55852 1.46027 1.87946 -47.64416 602.28951
3980.0000 -49.59222 -47.53471 2.05751 1.92241 -47.31727 638.19943
3985.0000 -48.47710 -46.86836 1.60874 1.97628 -46.90721 739.31102
3990.0000 -48.65670 -46.64510 2.01160 2.01855 -46.58550 702.88758
3995.0000 -48.90189 -47.11873 1.78315 1.94850 -47.11868 606.71293
4000.0000 -49.46191 -47.12565 2.33626 1.90474 -47.45174 582.73732
FREEZING PROCESS: loop number 17 T-loop= 557.00000000000000
main_MD> interactions number 17 at Temperature= 557.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.30038 -1.24533 1.10562
force_rgl> df(natom) -1.46444 1.63162 -2.40492
4005.0000 -49.11838 -47.69839 1.41999 1.92641 -47.28684 632.05518
4010.0000 -49.40180 -48.12798 1.27382 1.83485 -47.98375 510.62354
4015.0000 -49.59143 -48.28712 1.30431 1.78957 -48.32841 469.21572
4020.0000 -49.51710 -47.90307 1.61403 1.80873 -48.18253 496.16569
4025.0000 -49.62447 -48.03700 1.58748 1.85477 -47.83208 558.90247
4030.0000 -48.65630 -47.58017 1.07613 1.84667 -47.89377 524.68006
4035.0000 -49.57985 -48.11403 1.46581 1.86560 -47.74967 573.48133
4040.0000 -48.53716 -46.88035 1.65681 1.88833 -47.57668 598.55824
4045.0000 -48.81376 -46.83562 1.97814 1.97267 -46.93474 694.14689
4050.0000 -49.42278 -47.95359 1.46919 1.88687 -47.58776 572.99332
4055.0000 -49.76160 -48.22686 1.53474 1.80177 -48.23551 494.48573
4060.0000 -49.74731 -48.42951 1.31780 1.77773 -48.41854 464.16087
4065.0000 -49.43735 -48.21709 1.22026 1.78677 -48.34967 478.99079
4070.0000 -48.93325 -47.97575 0.95750 1.82175 -48.08348 483.49330
4075.0000 -49.86206 -48.53722 1.32484 1.84509 -47.90581 534.78444
4080.0000 -49.24842 -48.04908 1.19933 1.81344 -48.14672 512.75248
4085.0000 -49.28591 -47.60481 1.68111 1.84822 -47.88195 537.50653
4090.0000 -49.27707 -48.04635 1.23073 1.84907 -47.87551 540.07411
4095.0000 -49.59255 -47.69474 1.89782 1.84090 -47.93765 520.68082
4100.0000 -48.69603 -46.89116 1.80487 1.93947 -47.18744 648.11304
4105.0000 -49.70493 -48.22752 1.47740 1.92374 -47.30716 650.03707
4110.0000 -49.73273 -48.46339 1.26934 1.77880 -48.41041 464.42814
4115.0000 -49.36609 -48.23731 1.12878 1.80717 -48.19443 488.89848
4120.0000 -49.72692 -48.45333 1.27359 1.84329 -47.91949 545.45855
4125.0000 -49.37476 -47.70542 1.66933 1.82563 -48.05392 509.99993
4130.0000 -49.32289 -47.59186 1.73103 1.92273 -47.31483 633.80305
4135.0000 -49.57391 -48.19650 1.37741 1.83709 -47.96668 544.12569
4140.0000 -49.66234 -48.26216 1.40018 1.81584 -48.12843 541.35071
4145.0000 -48.56784 -47.48620 1.08164 1.83743 -47.96407 492.03269
4150.0000 -48.99833 -47.30727 1.69106 1.89904 -47.49514 523.43225
4155.0000 -48.39232 -46.97022 1.42210 1.94087 -47.17672 559.84999
4160.0000 -48.44624 -47.19293 1.25331 1.92533 -47.29501 521.99091
4165.0000 -48.53113 -46.61414 1.91699 1.95929 -47.03656 591.68886
4170.0000 -48.77050 -47.20695 1.56356 1.97376 -46.92642 674.31168
4175.0000 -48.57421 -47.62311 0.95109 1.88083 -47.63378 579.46400
4180.0000 -49.59374 -47.97361 1.62013 1.86467 -47.75679 534.23458
4185.0000 -49.20651 -47.56077 1.64574 1.87056 -47.71192 574.81141
4190.0000 -49.78438 -48.26762 1.51675 1.81864 -48.10715 531.22126
4195.0000 -49.54605 -47.81213 1.73392 1.84511 -47.90565 558.05464
4200.0000 -49.30841 -47.08904 2.21937 1.91150 -47.40033 635.14542
4205.0000 -49.03877 -47.08370 1.95507 1.90233 -47.47007 603.35531
4210.0000 -48.61434 -47.30103 1.31331 1.99161 -46.79050 715.25922
4215.0000 -49.05420 -48.03554 1.01866 1.92965 -47.26215 590.94261
4220.0000 -49.49110 -47.95309 1.53801 1.84761 -47.88665 535.05121
4225.0000 -48.99131 -47.51461 1.47670 1.87540 -47.67507 568.14758
4230.0000 -49.48913 -47.87672 1.61241 1.87297 -47.69359 574.96893
4235.0000 -49.59144 -47.99647 1.59497 1.85929 -47.79775 559.43420
4240.0000 -48.74962 -47.71704 1.03258 1.83479 -47.98420 531.08416
4245.0000 -49.23259 -47.59857 1.63402 1.93203 -47.24403 650.24558
4250.0000 -49.06317 -47.24950 1.81367 1.86209 -47.77637 567.10820
FREEZING PROCESS: loop number 18 T-loop= 532.00000000000000
main_MD> interactions number 18 at Temperature= 532.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44102 0.71337 0.75927
force_rgl> df(natom) 0.37364 2.37712 1.16563
4255.0000 -49.75874 -48.33775 1.42100 1.84068 -47.93939 530.48524
4260.0000 -49.30742 -48.07937 1.22806 1.80791 -48.18879 533.09916
4265.0000 -49.51485 -48.47981 1.03504 1.77358 -48.45013 438.66703
4270.0000 -49.22638 -47.70864 1.51774 1.84494 -47.90691 520.64193
4275.0000 -49.23981 -47.48628 1.75352 1.86404 -47.76157 573.00131
4280.0000 -49.48306 -48.62695 0.85611 1.80795 -48.18846 499.24211
4285.0000 -49.42050 -48.41037 1.01013 1.75572 -48.58603 429.60039
4290.0000 -49.76365 -48.55753 1.20612 1.78891 -48.33345 487.11606
4295.0000 -49.49887 -48.24474 1.25413 1.77506 -48.43881 436.86915
4300.0000 -49.96706 -48.72644 1.24062 1.78471 -48.36541 463.75173
4305.0000 -50.13646 -48.72829 1.40817 1.73070 -48.77647 399.25037
4310.0000 -49.73599 -48.61523 1.12076 1.76182 -48.53959 433.27745
4315.0000 -49.59301 -48.17651 1.41650 1.77536 -48.43653 464.67600
4320.0000 -49.69687 -48.38166 1.31521 1.79786 -48.26530 488.62893
4325.0000 -49.53038 -48.30604 1.22435 1.79922 -48.25495 460.65360
4330.0000 -49.47789 -48.21207 1.26582 1.77933 -48.40638 435.98196
4335.0000 -49.33605 -47.93031 1.40573 1.84574 -47.90085 548.72028
4340.0000 -49.43326 -47.51315 1.92012 1.85176 -47.85504 571.56770
4345.0000 -49.15610 -47.71716 1.43894 1.91175 -47.39844 591.15354
4350.0000 -49.57750 -47.94404 1.63346 1.85633 -47.82021 531.54162
4355.0000 -49.50664 -47.96996 1.53667 1.83027 -48.01862 526.30526
4360.0000 -49.52345 -47.99689 1.52656 1.88938 -47.56865 591.23936
4365.0000 -49.43235 -48.28894 1.14341 1.79386 -48.29572 471.05611
4370.0000 -49.56313 -48.52513 1.03800 1.77359 -48.45000 450.51522
4375.0000 -49.54926 -48.46375 1.08551 1.78032 -48.39883 458.30281
4380.0000 -49.42632 -48.36263 1.06369 1.76352 -48.52664 423.11823
4385.0000 -49.71175 -48.49981 1.21194 1.79629 -48.27726 484.44619
4390.0000 -49.49345 -47.87116 1.62229 1.82939 -48.02529 530.78322
4395.0000 -49.65262 -48.23893 1.41369 1.78706 -48.34754 483.34900
4400.0000 -49.34649 -48.13806 1.20843 1.80297 -48.22643 459.78337
4405.0000 -49.37048 -47.92340 1.44708 1.81750 -48.11584 537.98420
4410.0000 -49.52256 -48.32243 1.20013 1.82203 -48.08134 536.56722
4415.0000 -49.42338 -48.05927 1.36411 1.78888 -48.33366 476.20034
4420.0000 -49.21328 -47.83863 1.37465 1.87266 -47.69595 558.50449
4425.0000 -49.50972 -47.70716 1.80256 1.79926 -48.25464 495.13415
4430.0000 -49.41316 -47.64650 1.76666 1.88106 -47.63199 581.98823
4435.0000 -49.37985 -47.85121 1.52864 1.84798 -47.88383 539.60960
4440.0000 -49.59568 -48.35283 1.24284 1.81419 -48.14100 503.63282
4445.0000 -49.47752 -48.14863 1.32889 1.84299 -47.92182 558.49647
4450.0000 -49.13263 -47.53661 1.59602 1.80773 -48.19016 489.90936
4455.0000 -49.69907 -48.20245 1.49662 1.81173 -48.15971 516.11382
4460.0000 -49.04734 -47.68238 1.36496 1.87091 -47.70930 485.22619
4465.0000 -48.88728 -47.47228 1.41500 1.88067 -47.63497 532.40240
4470.0000 -49.52147 -47.80867 1.71280 1.85712 -47.81422 569.10329
4475.0000 -49.15052 -47.71146 1.43907 1.89574 -47.52030 587.75407
4480.0000 -49.27423 -47.97834 1.29589 1.85430 -47.83572 511.31732
4485.0000 -49.62278 -48.17755 1.44523 1.85067 -47.86333 549.02941
4490.0000 -49.37927 -48.24308 1.13619 1.76584 -48.50899 421.98071
4495.0000 -49.28544 -47.99862 1.28682 1.80783 -48.18939 467.52164
4500.0000 -49.15008 -47.65631 1.49376 1.84355 -47.91749 500.17452
FREEZING PROCESS: loop number 19 T-loop= 507.00000000000000
main_MD> interactions number 19 at Temperature= 507.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94821 -0.21568 -2.80278
force_rgl> df(natom) 0.78173 -1.76517 1.98111
4505.0000 -49.59216 -48.25784 1.33432 1.83639 -47.97204 533.37144
4510.0000 -49.80979 -48.32573 1.48406 1.80092 -48.24201 502.15226
4515.0000 -49.56655 -47.86592 1.70062 1.81409 -48.14174 502.43691
4520.0000 -49.53055 -48.51843 1.01212 1.81947 -48.10082 497.34379
4525.0000 -49.81540 -48.69865 1.11675 1.73945 -48.70990 415.17932
4530.0000 -49.49726 -48.21012 1.28713 1.77450 -48.44314 453.37239
4535.0000 -49.66530 -48.01316 1.65214 1.83260 -48.00087 529.61285
4540.0000 -49.47976 -48.14293 1.33683 1.86554 -47.75011 574.48099
4545.0000 -49.13044 -48.06018 1.07026 1.78540 -48.36011 448.93847
4550.0000 -49.16267 -47.83989 1.32279 1.82807 -48.03533 518.19604
4555.0000 -49.54876 -48.27292 1.27584 1.82423 -48.06460 504.05489
4560.0000 -49.49328 -48.32213 1.17114 1.77680 -48.42560 442.32282
4565.0000 -49.74856 -47.84380 1.90476 1.82930 -48.02598 517.37509
4570.0000 -49.43503 -47.34400 2.09102 1.92521 -47.29595 648.44061
4575.0000 -49.39826 -47.65470 1.74356 1.92644 -47.28656 628.51366
4580.0000 -49.73198 -48.57597 1.15601 1.86702 -47.73889 556.20346
4585.0000 -49.16977 -48.04204 1.12773 1.80698 -48.19585 512.31769
4590.0000 -49.33507 -48.34954 0.98552 1.84353 -47.91764 556.48164
4595.0000 -49.36277 -48.04738 1.31539 1.78698 -48.34812 473.88880
4600.0000 -49.42833 -48.15279 1.27554 1.78501 -48.36309 467.37888
4605.0000 -49.95065 -48.41125 1.53941 1.83806 -47.95928 546.99784
4610.0000 -49.63348 -48.72696 0.90653 1.79661 -48.27481 490.31588
4615.0000 -49.66906 -48.48239 1.18667 1.76032 -48.55107 413.02593
4620.0000 -49.66890 -48.22694 1.44195 1.79105 -48.31712 477.93166
4625.0000 -49.73537 -48.45708 1.27829 1.77833 -48.41394 470.96467
4630.0000 -49.22645 -47.93971 1.28674 1.79092 -48.31811 489.77854
4635.0000 -49.36054 -47.76818 1.59236 1.84913 -47.87505 534.58284
4640.0000 -48.88851 -47.91255 0.97595 1.90615 -47.44101 650.16175
4645.0000 -49.86621 -48.95858 0.90763 1.78787 -48.34133 476.93533
4650.0000 -49.79139 -48.64155 1.14984 1.74030 -48.70342 401.08236
4655.0000 -48.95162 -48.00723 0.94439 1.80611 -48.20248 468.07117
4660.0000 -48.96817 -47.94701 1.02117 1.81001 -48.17278 487.65061
4665.0000 -49.66096 -48.47725 1.18371 1.82214 -48.08046 499.62109
4670.0000 -49.83163 -48.26607 1.56556 1.76441 -48.51987 452.23320
4675.0000 -49.49799 -48.06928 1.42871 1.78569 -48.35795 482.68398
4680.0000 -49.39296 -47.82063 1.57233 1.85382 -47.83935 554.08908
4685.0000 -49.50526 -48.30120 1.20406 1.83903 -47.95191 553.96883
4690.0000 -49.64184 -48.21761 1.42423 1.83568 -47.97741 513.58707
4695.0000 -49.34504 -48.39251 0.95253 1.81655 -48.12302 496.49158
4700.0000 -49.12186 -47.73779 1.38407 1.79737 -48.26899 486.33027
4705.0000 -48.97224 -47.73155 1.24069 1.87743 -47.65966 545.97276
4710.0000 -49.25899 -47.96693 1.29207 1.83755 -47.96322 530.59454
4715.0000 -49.29589 -47.75917 1.53673 1.82708 -48.04287 511.51672
4720.0000 -49.73362 -48.03616 1.69746 1.83650 -47.97115 549.71712
4725.0000 -49.63774 -48.26403 1.37371 1.77987 -48.40226 479.21322
4730.0000 -50.02787 -49.05173 0.97613 1.73927 -48.71123 416.32768
4735.0000 -49.44897 -48.24636 1.20261 1.76276 -48.53245 457.86054
4740.0000 -49.99022 -48.95196 1.03826 1.76420 -48.52152 455.05424
4745.0000 -50.11947 -48.43376 1.68571 1.78738 -48.34508 479.35065
4750.0000 -50.03260 -49.03042 1.00218 1.79781 -48.26564 481.26458
FREEZING PROCESS: loop number 20 T-loop= 482.00000000000000
main_MD> interactions number 20 at Temperature= 482.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85080 -0.74094 -0.38415
force_rgl> df(natom) -1.29330 -1.75907 -0.97524
4755.0000 -49.64087 -48.41289 1.22798 1.76543 -48.51211 421.91889
4760.0000 -49.22628 -48.03651 1.18977 1.79027 -48.32309 446.37426
4765.0000 -50.12836 -48.48008 1.64828 1.78614 -48.35450 472.59157
4770.0000 -49.53040 -48.20672 1.32368 1.78562 -48.35843 472.73717
4775.0000 -49.39803 -48.14751 1.25052 1.81979 -48.09839 507.43316
4780.0000 -49.90353 -48.66744 1.23609 1.77320 -48.45298 460.79416
4785.0000 -49.84270 -48.73491 1.10779 1.75061 -48.62495 441.08804
4790.0000 -49.69808 -48.59314 1.10494 1.72303 -48.83485 402.85787
4795.0000 -49.31455 -48.12582 1.18873 1.78034 -48.39869 476.68590
4800.0000 -49.72461 -48.31888 1.40573 1.82945 -48.02481 508.89313
4805.0000 -49.71800 -48.20835 1.50965 1.75344 -48.60343 404.20131
4810.0000 -49.58329 -48.11268 1.47061 1.78383 -48.37210 466.17431
4815.0000 -49.78472 -48.14490 1.63982 1.78115 -48.39249 452.97298
4820.0000 -49.65554 -48.21967 1.43587 1.83245 -48.00205 534.55738
4825.0000 -49.26769 -47.86807 1.39961 1.81688 -48.12049 475.28215
4830.0000 -49.27106 -48.04395 1.22711 1.81057 -48.16856 526.97311
4835.0000 -49.27632 -47.98990 1.28642 1.81526 -48.13287 507.38998
4840.0000 -49.93171 -47.87047 2.06124 1.85242 -47.85001 550.73714
4845.0000 -49.64098 -48.34132 1.29967 1.83268 -48.00027 544.15145
4850.0000 -49.39310 -48.09485 1.29825 1.79068 -48.31998 476.12983
4855.0000 -50.00020 -48.60914 1.39106 1.81464 -48.13757 526.79034
4860.0000 -49.88602 -48.74940 1.13662 1.72172 -48.84486 394.64525
4865.0000 -49.55550 -48.74109 0.81441 1.75618 -48.58252 438.02024
4870.0000 -49.59121 -48.59284 0.99838 1.73958 -48.70887 410.65015
4875.0000 -49.30387 -47.84162 1.46225 1.79367 -48.29717 458.99699
4880.0000 -48.96217 -47.50743 1.45473 1.84927 -47.87401 571.42157
4885.0000 -49.43087 -48.33307 1.09781 1.84523 -47.90473 541.24981
4890.0000 -49.81624 -48.45504 1.36120 1.78550 -48.35937 463.90416
4895.0000 -49.56239 -48.25820 1.30419 1.78980 -48.32662 479.70400
4900.0000 -49.47705 -48.15950 1.31756 1.78382 -48.37219 475.72252
4905.0000 -49.58949 -48.09826 1.49123 1.81724 -48.11782 526.51373
4910.0000 -49.41065 -48.11444 1.29621 1.80299 -48.22627 469.02841
4915.0000 -49.33345 -47.92499 1.40846 1.85413 -47.83697 531.83161
4920.0000 -49.38141 -47.73961 1.64181 1.84895 -47.87645 556.01135
4925.0000 -49.77346 -47.89223 1.88123 1.84853 -47.87960 505.11076
4930.0000 -49.59961 -48.07006 1.52955 1.84277 -47.92349 549.12346
4935.0000 -49.61244 -48.34082 1.27163 1.84299 -47.92182 527.56056
4940.0000 -49.94611 -48.70380 1.24231 1.77303 -48.45431 466.57406
4945.0000 -49.56184 -48.24022 1.32162 1.76414 -48.52195 436.77134
4950.0000 -49.97570 -48.30318 1.67252 1.80015 -48.24784 498.12518
4955.0000 -49.53596 -48.28886 1.24710 1.82272 -48.07604 514.29811
4960.0000 -49.84739 -48.73790 1.10949 1.78936 -48.33000 476.45900
4965.0000 -49.34561 -48.10266 1.24295 1.79796 -48.26454 467.16939
4970.0000 -49.22357 -47.59178 1.63179 1.86285 -47.77058 564.22608
4975.0000 -49.20492 -47.56058 1.64433 1.85488 -47.83128 546.25863
4980.0000 -49.55141 -47.66313 1.88828 1.88472 -47.60411 562.60349
4985.0000 -48.93141 -47.75177 1.17964 1.90919 -47.41792 609.90923
4990.0000 -49.46746 -48.18776 1.27970 1.85330 -47.84333 538.63376
4995.0000 -50.14994 -49.10499 1.04495 1.75953 -48.55701 425.52888
5000.0000 -49.92139 -48.62074 1.30064 1.75080 -48.62349 441.68905
FREEZING PROCESS: loop number 21 T-loop= 457.00000000000000
main_MD> interactions number 21 at Temperature= 457.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15656 1.47152 -1.24346
force_rgl> df(natom) -2.85918 0.53740 0.24297
5005.0000 -49.65882 -48.59936 1.05945 1.74640 -48.65700 426.17526
5010.0000 -50.06778 -48.83318 1.23459 1.76411 -48.52222 444.80829
5015.0000 -49.99644 -48.55717 1.43926 1.75335 -48.60412 428.39282
5020.0000 -49.66527 -48.33288 1.33239 1.75165 -48.61699 436.10829
5025.0000 -49.57935 -48.21678 1.36257 1.77802 -48.41633 462.69729
5030.0000 -49.71062 -48.09155 1.61907 1.79803 -48.26402 477.32717
5035.0000 -49.52194 -48.35239 1.16955 1.80940 -48.17742 505.97831
5040.0000 -49.85045 -48.88264 0.96780 1.78207 -48.38548 449.59915
5045.0000 -49.87596 -48.84180 1.03416 1.72629 -48.81009 401.82197
5050.0000 -49.92038 -48.80362 1.11676 1.74040 -48.70268 406.04478
5055.0000 -49.55238 -48.51597 1.03641 1.74846 -48.64129 402.47847
5060.0000 -49.69439 -48.45968 1.23471 1.75142 -48.61877 413.45459
5065.0000 -49.83088 -48.59821 1.23267 1.76644 -48.50448 441.57240
5070.0000 -49.93429 -48.76949 1.16480 1.75117 -48.62069 430.50471
5075.0000 -49.76178 -48.77234 0.98944 1.75508 -48.59095 423.38301
5080.0000 -50.03503 -48.97655 1.05848 1.68295 -49.13992 327.83139
5085.0000 -49.81504 -48.56673 1.24831 1.73385 -48.75256 409.95461
5090.0000 -49.84275 -48.29235 1.55040 1.81522 -48.13319 525.59870
5095.0000 -49.47783 -48.00889 1.46894 1.79617 -48.27820 477.46066
5100.0000 -49.48926 -48.37432 1.11494 1.82502 -48.05858 507.76647
5105.0000 -49.57486 -48.54004 1.03482 1.80075 -48.24328 468.55187
5110.0000 -49.41475 -48.33650 1.07825 1.74886 -48.63824 405.62138
5115.0000 -49.60684 -48.25076 1.35608 1.77244 -48.45877 441.80195
5120.0000 -49.59490 -48.14935 1.44555 1.79303 -48.30207 466.57596
5125.0000 -49.33454 -48.13261 1.20193 1.79210 -48.30913 467.93818
5130.0000 -49.39872 -48.23400 1.16472 1.84293 -47.92221 523.58274
5135.0000 -49.72127 -48.45691 1.26436 1.79050 -48.32134 475.92259
5140.0000 -49.61999 -48.59701 1.02298 1.73202 -48.76644 411.84885
5145.0000 -49.94544 -48.42122 1.52422 1.79850 -48.26043 487.44794
5150.0000 -49.81019 -48.85668 0.95351 1.75150 -48.61816 427.36198
5155.0000 -49.80151 -48.70342 1.09809 1.75019 -48.62818 425.49185
5160.0000 -49.33702 -47.98695 1.35006 1.79520 -48.28554 480.67022
5165.0000 -49.54752 -48.30112 1.24641 1.80676 -48.19753 490.27998
5170.0000 -49.63084 -48.60445 1.02639 1.79204 -48.30960 468.38177
5175.0000 -49.79731 -48.63982 1.15749 1.76215 -48.53710 449.87776
5180.0000 -49.45065 -48.20525 1.24540 1.77390 -48.44771 452.25289
5185.0000 -49.73168 -48.90898 0.82270 1.77262 -48.45740 452.71158
5190.0000 -49.61173 -48.34805 1.26368 1.77158 -48.46535 457.62642
5195.0000 -49.71927 -48.70035 1.01892 1.74321 -48.68127 412.77717
5200.0000 -49.18179 -47.70658 1.47522 1.80895 -48.18088 500.43461
5205.0000 -49.63759 -48.20986 1.42773 1.83447 -47.98662 529.70990
5210.0000 -49.75859 -48.43923 1.31935 1.79305 -48.30188 480.13363
5215.0000 -49.60435 -48.38069 1.22366 1.78663 -48.35079 477.77150
5220.0000 -49.76631 -48.76141 1.00490 1.77633 -48.42917 465.22918
5225.0000 -49.96026 -48.86053 1.09973 1.72818 -48.79566 402.72578
5230.0000 -49.35897 -48.13860 1.22038 1.76721 -48.49856 435.84512
5235.0000 -50.02378 -48.88711 1.13667 1.74224 -48.68863 408.81462
5240.0000 -49.62404 -48.76039 0.86364 1.74167 -48.69300 401.40265
5245.0000 -49.87290 -48.96195 0.91095 1.72864 -48.79214 396.21993
5250.0000 -49.54135 -48.42252 1.11883 1.74971 -48.63181 416.70404
FREEZING PROCESS: loop number 22 T-loop= 432.00000000000000
main_MD> interactions number 22 at Temperature= 432.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48162 -2.17469 -1.02823
force_rgl> df(natom) 0.72640 0.54964 1.23514
5255.0000 -50.02417 -48.88485 1.13932 1.77135 -48.46707 453.52204
5260.0000 -49.71845 -48.50691 1.21154 1.71345 -48.90782 361.65123
5265.0000 -49.43862 -48.11471 1.32391 1.79660 -48.27488 484.95268
5270.0000 -49.64252 -48.78817 0.85434 1.76900 -48.48498 456.63299
5275.0000 -49.91235 -48.74124 1.17111 1.73541 -48.74065 401.12729
5280.0000 -49.76537 -48.78711 0.97825 1.74879 -48.63882 423.83762
5285.0000 -49.70288 -48.63422 1.06866 1.72353 -48.83105 374.67026
5290.0000 -50.20049 -48.70242 1.49806 1.73514 -48.74270 415.47272
5295.0000 -49.76893 -48.54288 1.22606 1.76962 -48.48025 452.61568
5300.0000 -49.67865 -48.45082 1.22784 1.76099 -48.54592 424.99065
5305.0000 -49.95872 -48.65334 1.30537 1.76298 -48.53076 442.53156
5310.0000 -50.03469 -48.98929 1.04539 1.72281 -48.83656 393.95040
5315.0000 -50.09241 -48.91028 1.18213 1.71255 -48.91465 384.49705
5320.0000 -49.68684 -48.84938 0.83746 1.71785 -48.87430 383.56377
5325.0000 -50.07877 -49.11111 0.96767 1.71797 -48.87339 392.05116
5330.0000 -50.00035 -48.61490 1.38544 1.73284 -48.76022 390.32711
5335.0000 -49.73059 -48.59213 1.13846 1.76023 -48.55171 426.06534
5340.0000 -50.04079 -49.03701 1.00377 1.73193 -48.76712 403.22471
5345.0000 -50.10286 -48.88590 1.21696 1.73334 -48.75637 399.74593
5350.0000 -49.67069 -48.56255 1.10814 1.73375 -48.75326 391.36495
5355.0000 -49.68990 -48.26268 1.42722 1.77875 -48.41074 462.70687
5360.0000 -49.60509 -47.89067 1.71441 1.77610 -48.43094 447.14144
5365.0000 -49.78993 -48.50868 1.28125 1.79951 -48.25274 469.71246
5370.0000 -49.78061 -48.51827 1.26234 1.76823 -48.49084 447.22197
5375.0000 -50.05511 -48.97198 1.08313 1.72024 -48.85609 385.54236
5380.0000 -50.14824 -48.97546 1.17278 1.69564 -49.04337 358.54974
5385.0000 -50.03846 -49.28504 0.75342 1.68981 -49.08772 340.31440
5390.0000 -49.71017 -48.65247 1.05770 1.73194 -48.76702 393.32725
5395.0000 -49.65094 -48.33195 1.31899 1.78830 -48.33807 475.10387
5400.0000 -49.81977 -48.52920 1.29056 1.74037 -48.70290 395.36547
5405.0000 -49.60001 -48.29469 1.30531 1.77311 -48.45371 461.87891
5410.0000 -49.79543 -49.04121 0.75422 1.73474 -48.74575 405.27906
5415.0000 -49.74144 -48.59790 1.14355 1.70593 -48.96503 357.48517
5420.0000 -50.11745 -48.98352 1.13393 1.75427 -48.59707 444.56638
5425.0000 -49.66710 -48.36012 1.30698 1.76000 -48.55344 419.35546
5430.0000 -49.73247 -48.66541 1.06707 1.75732 -48.57389 439.70235
5435.0000 -49.84808 -48.48807 1.36001 1.76156 -48.54163 445.29877
5440.0000 -49.82581 -48.45201 1.37379 1.77385 -48.44806 439.71308
5445.0000 -49.51447 -48.16489 1.34957 1.77326 -48.45254 446.18964
5450.0000 -49.32462 -48.24386 1.08076 1.80182 -48.23512 488.51718
5455.0000 -49.54522 -48.28530 1.25993 1.80288 -48.22709 498.51236
5460.0000 -49.20591 -47.87142 1.33449 1.82732 -48.04104 495.95282
5465.0000 -49.32150 -47.91933 1.40217 1.83552 -47.97862 512.09783
5470.0000 -49.30495 -48.03522 1.26973 1.82082 -48.09052 516.46432
5475.0000 -49.57208 -48.27644 1.29565 1.79309 -48.30162 508.89783
5480.0000 -49.60048 -48.63091 0.96957 1.75053 -48.62555 437.63613
5485.0000 -49.80386 -48.88277 0.92109 1.75557 -48.58721 420.36919
5490.0000 -49.76916 -48.54097 1.22819 1.72690 -48.80545 392.65865
5495.0000 -49.73235 -48.51279 1.21956 1.77396 -48.44721 454.31004
5500.0000 -49.94410 -48.78958 1.15452 1.73765 -48.72358 415.85081
FREEZING PROCESS: loop number 23 T-loop= 407.00000000000000
main_MD> interactions number 23 at Temperature= 407.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73180 0.04416 0.32640
force_rgl> df(natom) 1.65821 0.17965 0.13288
5505.0000 -49.53886 -48.61580 0.92306 1.76120 -48.54437 447.22900
5510.0000 -49.90284 -48.72478 1.17806 1.73795 -48.72128 427.18269
5515.0000 -49.71084 -48.77854 0.93230 1.76577 -48.50954 442.03869
5520.0000 -50.12480 -48.94793 1.17686 1.70557 -48.96778 364.42173
5525.0000 -49.94412 -48.55634 1.38777 1.71963 -48.86077 395.00084
5530.0000 -50.17557 -49.07482 1.10074 1.75425 -48.59726 424.93103
5535.0000 -49.48509 -48.31653 1.16856 1.73524 -48.74190 396.78562
5540.0000 -49.33368 -48.50164 0.83203 1.79657 -48.27515 478.20166
5545.0000 -49.27985 -48.33563 0.94422 1.75657 -48.57957 435.25394
5550.0000 -49.91906 -48.79388 1.12518 1.74424 -48.67347 410.93694
5555.0000 -49.94807 -48.49545 1.45262 1.74212 -48.68956 423.87304
5560.0000 -49.88295 -48.25880 1.62415 1.77272 -48.45662 432.30024
5565.0000 -49.39740 -47.97406 1.42334 1.82771 -48.03808 523.12410
5570.0000 -49.65013 -48.35413 1.29600 1.81648 -48.12356 479.27912
5575.0000 -49.81459 -48.85422 0.96037 1.73116 -48.77303 381.68256
5580.0000 -49.49449 -48.40778 1.08671 1.73416 -48.75018 414.07325
5585.0000 -49.66877 -48.57353 1.09524 1.75698 -48.57648 418.41179
5590.0000 -49.73309 -48.70175 1.03134 1.74085 -48.69926 388.60786
5595.0000 -49.44747 -48.67425 0.77322 1.76252 -48.53429 432.23230
5600.0000 -50.05832 -49.16938 0.88895 1.70712 -48.95596 374.02764
5605.0000 -50.03039 -49.40123 0.62916 1.67859 -49.17318 341.55100
5610.0000 -50.21201 -49.13546 1.07654 1.65711 -49.33661 299.10657
5615.0000 -50.08441 -49.17790 0.90652 1.68338 -49.13665 336.96089
5620.0000 -49.85126 -48.64722 1.20404 1.70303 -48.98712 334.31111
5625.0000 -49.91724 -48.72748 1.18976 1.73868 -48.71574 409.88582
5630.0000 -49.77708 -48.92116 0.85592 1.73757 -48.72421 388.57840
5635.0000 -49.95825 -49.02802 0.93023 1.70137 -48.99977 345.41334
5640.0000 -50.06248 -48.91492 1.14757 1.71891 -48.86621 390.96126
5645.0000 -49.89535 -48.93209 0.96326 1.69508 -49.04766 341.07165
5650.0000 -50.10459 -48.93309 1.17150 1.71356 -48.90697 376.74231
5655.0000 -49.90444 -48.83285 1.07159 1.71558 -48.89160 383.77441
5660.0000 -50.15163 -48.86383 1.28780 1.70809 -48.94857 365.29386
5665.0000 -49.81839 -48.75441 1.06398 1.73127 -48.77214 411.57502
5670.0000 -49.86123 -48.55401 1.30723 1.75970 -48.55572 433.22733
5675.0000 -50.13786 -49.13253 1.00533 1.75651 -48.58002 440.57886
5680.0000 -49.99088 -48.82915 1.16172 1.71090 -48.92720 376.33478
5685.0000 -50.12118 -49.21214 0.90904 1.72082 -48.85169 361.32293
5690.0000 -49.81010 -48.63553 1.17457 1.68219 -49.14576 323.65366
5695.0000 -49.96242 -48.82351 1.13891 1.71910 -48.86482 364.44753
5700.0000 -49.84764 -48.25760 1.59004 1.72758 -48.80027 384.42602
5705.0000 -49.92956 -49.16325 0.76631 1.72846 -48.79355 400.08395
5710.0000 -50.04581 -49.02639 1.01942 1.69286 -49.06451 362.21216
5715.0000 -49.90625 -48.91089 0.99537 1.71051 -48.93016 363.61268
5720.0000 -49.68485 -48.52273 1.16212 1.76196 -48.53852 430.58475
5725.0000 -49.65554 -48.31732 1.33822 1.78571 -48.35776 494.17820
5730.0000 -49.81171 -48.40771 1.40400 1.78566 -48.35816 456.29561
5735.0000 -49.99376 -48.68680 1.30696 1.75503 -48.59134 426.16234
5740.0000 -49.84954 -48.97136 0.87818 1.75721 -48.57468 425.65739
5745.0000 -50.13915 -49.18590 0.95324 1.68733 -49.10660 347.20145
5750.0000 -50.03819 -48.61391 1.42428 1.72197 -48.84297 391.17878
FREEZING PROCESS: loop number 24 T-loop= 382.00000000000000
main_MD> interactions number 24 at Temperature= 382.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52331 -0.17185 0.31362
force_rgl> df(natom) 1.58823 1.19394 0.81926
5755.0000 -50.01421 -49.02913 0.98508 1.68955 -49.08972 357.79482
5760.0000 -49.51378 -48.43584 1.07793 1.70757 -48.95258 358.39126
5765.0000 -50.07565 -48.75921 1.31643 1.76133 -48.54336 422.77818
5770.0000 -50.32576 -49.09659 1.22917 1.70477 -48.97383 366.77363
5775.0000 -49.70197 -48.59497 1.10700 1.70749 -48.95315 377.60426
5780.0000 -49.91050 -49.04424 0.86626 1.72185 -48.84386 378.70511
5785.0000 -49.75351 -48.98569 0.76782 1.71963 -48.86077 382.95957
5790.0000 -50.08678 -49.15204 0.93474 1.69275 -49.06538 343.27566
5795.0000 -49.81178 -48.51374 1.29804 1.71303 -48.91099 382.85154
5800.0000 -49.96915 -48.92649 1.04266 1.70588 -48.96542 359.86443
5805.0000 -49.96473 -49.14740 0.81733 1.70768 -48.95174 371.04230
5810.0000 -50.11507 -48.80884 1.30623 1.67965 -49.16508 336.83868
5815.0000 -49.93156 -48.72731 1.20425 1.73150 -48.77042 390.00065
5820.0000 -49.90555 -48.89240 1.01316 1.69007 -49.08572 334.56670
5825.0000 -50.03315 -49.08575 0.94740 1.67350 -49.21187 330.19616
5830.0000 -50.13600 -49.17882 0.95718 1.70991 -48.93471 380.32935
5835.0000 -50.29921 -49.47765 0.82156 1.66802 -49.25362 311.60855
5840.0000 -49.81550 -48.66793 1.14757 1.68274 -49.14152 333.04467
5845.0000 -49.76809 -48.99898 0.76911 1.73749 -48.72478 414.59373
5850.0000 -49.59060 -48.59839 0.99221 1.73730 -48.72629 399.74424
5855.0000 -50.09054 -48.78572 1.30482 1.74176 -48.69229 401.02758
5860.0000 -49.48022 -48.32025 1.15996 1.75721 -48.57470 434.64610
5865.0000 -49.36413 -48.52791 0.83622 1.79065 -48.32021 474.78176
5870.0000 -50.13028 -49.08155 1.04873 1.71474 -48.89800 363.71387
5875.0000 -50.02965 -49.06258 0.96708 1.69425 -49.05395 360.56008
5880.0000 -49.39972 -48.43604 0.96368 1.69976 -49.01198 359.64107
5885.0000 -49.93730 -49.00769 0.92961 1.72694 -48.80514 388.68536
5890.0000 -49.90950 -48.73564 1.17386 1.72685 -48.80580 400.54139
5895.0000 -50.35424 -49.64286 0.71138 1.69971 -49.01241 379.08066
5900.0000 -50.21523 -49.38182 0.83341 1.64731 -49.41127 294.42105
5905.0000 -50.07194 -49.14950 0.92244 1.67655 -49.18868 323.74481
5910.0000 -49.95789 -49.04612 0.91178 1.70974 -48.93604 362.88587
5915.0000 -49.93259 -48.93338 0.99921 1.71719 -48.87932 380.37066
5920.0000 -49.99389 -48.90408 1.08981 1.70953 -48.93765 369.33428
5925.0000 -50.18119 -49.36657 0.81462 1.68923 -49.09214 349.09328
5930.0000 -50.14704 -49.30480 0.84224 1.67192 -49.22392 330.80309
5935.0000 -49.84545 -48.69946 1.14599 1.69366 -49.05846 353.85155
5940.0000 -49.89847 -48.87461 1.02385 1.74832 -48.64238 445.83402
5945.0000 -50.09902 -48.96747 1.13156 1.72187 -48.84369 402.48082
5950.0000 -49.64199 -48.63930 1.00269 1.72597 -48.81251 421.90469
5955.0000 -49.96463 -48.71966 1.24497 1.71994 -48.85842 385.74016
5960.0000 -49.81070 -49.00687 0.80384 1.69794 -49.02584 358.61856
5965.0000 -50.04119 -49.10987 0.93132 1.70947 -48.93811 360.92064
5970.0000 -50.20780 -49.09625 1.11155 1.70783 -48.95056 374.84724
5975.0000 -50.12582 -48.60966 1.51616 1.72092 -48.85092 400.16501
5980.0000 -49.50861 -48.52940 0.97921 1.75399 -48.59920 445.74004
5985.0000 -49.58185 -48.32860 1.25325 1.76839 -48.48962 442.64956
5990.0000 -50.02510 -48.72482 1.30027 1.73893 -48.71389 420.60393
5995.0000 -49.93320 -48.76012 1.17308 1.71486 -48.89707 384.11008
6000.0000 -49.63151 -48.56245 1.06906 1.75105 -48.62163 434.63384
FREEZING PROCESS: loop number 25 T-loop= 357.00000000000000
main_MD> interactions number 25 at Temperature= 357.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.54121 0.44214 -1.68145
force_rgl> df(natom) 1.61362 -0.30397 -2.06378
6005.0000 -49.54079 -48.84083 0.69996 1.76270 -48.53289 436.31610
6010.0000 -50.05527 -49.37372 0.68155 1.69476 -49.05002 352.05013
6015.0000 -50.01306 -49.10561 0.90745 1.66820 -49.25223 317.50407
6020.0000 -50.00159 -49.04851 0.95308 1.67501 -49.20036 320.16591
6025.0000 -50.28517 -49.07787 1.20730 1.69796 -49.02570 361.35445
6030.0000 -50.17831 -48.96680 1.21151 1.70699 -48.95699 369.04262
6035.0000 -50.27188 -49.54457 0.72731 1.67651 -49.18901 320.60001
6040.0000 -49.99098 -49.12389 0.86709 1.67995 -49.16276 327.66500
6045.0000 -50.01022 -49.10860 0.90162 1.71300 -48.91125 386.42677
6050.0000 -50.12418 -49.10064 1.02355 1.67935 -49.16734 323.88057
6055.0000 -49.93755 -49.29389 0.64366 1.69569 -49.04297 349.55012
6060.0000 -49.81216 -48.64640 1.16576 1.70994 -48.93455 368.62556
6065.0000 -50.00233 -48.82176 1.18057 1.75993 -48.55402 438.82974
6070.0000 -50.04991 -48.97607 1.07384 1.72240 -48.83964 383.77235
6075.0000 -50.01030 -49.16666 0.84364 1.69534 -49.04564 348.87826
6080.0000 -49.96854 -48.83716 1.13139 1.69692 -49.03359 346.56193
6085.0000 -49.97148 -49.24110 0.73039 1.72304 -48.83483 388.23643
6090.0000 -49.91970 -48.82207 1.09763 1.70263 -48.99019 372.09455
6095.0000 -50.09130 -48.66711 1.42419 1.72637 -48.80948 379.65102
6100.0000 -50.13200 -49.22740 0.90460 1.69317 -49.06212 364.58795
6105.0000 -49.86607 -49.03430 0.83177 1.69087 -49.07964 335.07364
6110.0000 -50.02470 -48.90924 1.11546 1.70363 -48.98254 358.99669
6115.0000 -50.14792 -48.93467 1.21325 1.71632 -48.88591 368.02727
6120.0000 -50.36898 -49.31783 1.05115 1.69898 -49.01793 347.18419
6125.0000 -49.98563 -49.01602 0.96961 1.67199 -49.22340 325.43654
6130.0000 -50.09389 -49.22530 0.86860 1.65843 -49.32659 297.60773
6135.0000 -50.05907 -49.07757 0.98150 1.65672 -49.33959 307.67787
6140.0000 -49.99072 -49.15866 0.83206 1.68406 -49.13149 332.18108
6145.0000 -49.95075 -49.11382 0.83693 1.66808 -49.25317 288.52684
6150.0000 -50.13929 -49.19856 0.94074 1.68644 -49.11338 344.06167
6155.0000 -50.06283 -49.31496 0.74787 1.67340 -49.21266 343.21337
6160.0000 -49.92552 -48.82750 1.09802 1.69896 -49.01810 354.21860
6165.0000 -50.01377 -49.19807 0.81570 1.69709 -49.03234 357.04180
6170.0000 -50.00269 -49.11162 0.89107 1.67579 -49.19443 327.01434
6175.0000 -50.03394 -48.99122 1.04273 1.68473 -49.12637 344.44145
6180.0000 -49.88416 -48.96363 0.92053 1.68431 -49.12964 347.12976
6185.0000 -50.30332 -48.95783 1.34549 1.69894 -49.01823 377.05639
6190.0000 -50.03556 -49.06227 0.97329 1.70591 -48.96518 366.44845
6195.0000 -49.99720 -49.23953 0.75767 1.69271 -49.06570 343.63510
6200.0000 -50.06531 -49.06504 1.00027 1.68741 -49.10599 348.01530
6205.0000 -50.03708 -49.02570 1.01138 1.68713 -49.10817 330.99462
6210.0000 -50.27224 -49.33156 0.94069 1.67291 -49.21636 322.91377
6215.0000 -49.99166 -49.35117 0.64050 1.67253 -49.21925 310.63445
6220.0000 -50.19129 -49.26256 0.92873 1.67968 -49.16485 346.79995
6225.0000 -50.17401 -49.26120 0.91281 1.69267 -49.06597 348.37764
6230.0000 -49.80241 -48.82703 0.97539 1.66915 -49.24499 318.78498
6235.0000 -49.86495 -49.08818 0.77677 1.68632 -49.11428 336.23556
6240.0000 -50.08526 -49.11678 0.96849 1.69704 -49.03272 348.44658
6245.0000 -50.12235 -49.15314 0.96922 1.69565 -49.04332 350.51008
6250.0000 -50.00390 -49.16763 0.83627 1.68506 -49.12393 326.77818
FREEZING PROCESS: loop number 26 T-loop= 332.00000000000000
main_MD> interactions number 26 at Temperature= 332.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.44769 -0.50598 1.47407
force_rgl> df(natom) -0.16688 -0.31868 -1.53936
6255.0000 -49.99201 -49.17333 0.81868 1.68783 -49.10277 328.01221
6260.0000 -50.04061 -49.33833 0.70228 1.66066 -49.30965 305.07999
6265.0000 -50.05179 -48.91264 1.13915 1.68067 -49.15730 332.08561
6270.0000 -50.08335 -49.10639 0.97696 1.68505 -49.12400 345.23475
6275.0000 -49.86770 -49.13675 0.73096 1.67313 -49.21470 328.33396
6280.0000 -49.99183 -49.18258 0.80925 1.68538 -49.12146 339.21091
6285.0000 -50.03311 -49.17394 0.85917 1.69093 -49.07923 339.60690
6290.0000 -50.03643 -49.21799 0.81844 1.70117 -49.00123 353.40130
6295.0000 -50.10479 -49.12605 0.97874 1.68024 -49.16060 326.73764
6300.0000 -50.15594 -49.16668 0.98926 1.69004 -49.08599 344.00003
6305.0000 -50.18441 -49.39197 0.79244 1.67090 -49.23166 319.52679
6310.0000 -50.24559 -49.54913 0.69647 1.64535 -49.42616 286.72395
6315.0000 -50.11939 -49.17172 0.94767 1.67692 -49.18588 333.17196
6320.0000 -50.04581 -49.21527 0.83054 1.66421 -49.28257 312.59849
6325.0000 -50.12841 -49.38338 0.74503 1.67289 -49.21656 305.01551
6330.0000 -49.85633 -48.72020 1.13613 1.68132 -49.15238 328.07172
6335.0000 -50.10610 -49.01357 1.09253 1.71887 -48.86656 389.19301
6340.0000 -50.12190 -49.14696 0.97494 1.67225 -49.22137 324.85048
6345.0000 -49.74971 -49.02679 0.72292 1.69090 -49.07941 338.55907
6350.0000 -50.24521 -49.06130 1.18392 1.70234 -48.99234 360.61183
6355.0000 -49.96063 -49.01371 0.94693 1.66747 -49.25780 320.49799
6360.0000 -49.98926 -49.03808 0.95117 1.71459 -48.89910 380.22950
6365.0000 -49.97287 -48.90250 1.07037 1.71481 -48.89743 374.58432
6370.0000 -49.89941 -49.04195 0.85746 1.72550 -48.81605 371.66577
6375.0000 -49.92085 -48.86448 1.05637 1.69487 -49.04923 329.03609
6380.0000 -50.42743 -49.48084 0.94659 1.67498 -49.20064 308.49415
6385.0000 -49.85793 -49.12655 0.73138 1.66544 -49.27325 300.95880
6390.0000 -49.77372 -48.88713 0.88659 1.69357 -49.05908 342.54553
6395.0000 -50.28707 -49.34332 0.94375 1.67979 -49.16404 335.80837
6400.0000 -50.02050 -48.86860 1.15190 1.67051 -49.23462 315.52846
6405.0000 -50.17301 -48.92096 1.25206 1.70642 -48.96133 372.02289
6410.0000 -50.00387 -49.00656 0.99732 1.69404 -49.05553 346.95076
6415.0000 -49.94055 -49.09218 0.84837 1.68367 -49.13448 338.96394
6420.0000 -49.93171 -48.77954 1.15217 1.72057 -48.85359 385.46383
6425.0000 -50.13293 -49.15314 0.97979 1.70444 -48.97640 369.13700
6430.0000 -49.85425 -48.90710 0.94715 1.66183 -49.30070 318.62318
6435.0000 -49.95039 -49.12643 0.82396 1.71024 -48.93224 378.43028
6440.0000 -49.67925 -48.66542 1.01383 1.71545 -48.89259 365.84052
6445.0000 -50.04099 -49.03739 1.00360 1.72671 -48.80686 393.66918
6450.0000 -50.30874 -49.33471 0.97403 1.70316 -48.98610 360.63302
6455.0000 -50.24094 -49.51520 0.72574 1.64500 -49.42884 278.32420
6460.0000 -50.25028 -49.55236 0.69792 1.63391 -49.51325 269.21107
6465.0000 -50.26806 -49.49839 0.76967 1.63492 -49.50550 270.13488
6470.0000 -49.84923 -49.22482 0.62441 1.65372 -49.36241 302.16033
6475.0000 -50.25149 -49.54551 0.70598 1.65326 -49.36597 310.31200
6480.0000 -49.95281 -49.32624 0.62657 1.63673 -49.49179 274.77124
6485.0000 -50.17623 -49.36028 0.81594 1.66849 -49.24999 320.31096
6490.0000 -50.16785 -49.18290 0.98495 1.66481 -49.27799 327.19422
6495.0000 -50.12090 -49.41383 0.70707 1.65991 -49.31531 304.46268
6500.0000 -50.20175 -49.44331 0.75844 1.64439 -49.43348 286.50235
FREEZING PROCESS: loop number 27 T-loop= 307.00000000000000
main_MD> interactions number 27 at Temperature= 307.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10762 0.18370 0.45110
force_rgl> df(natom) -1.59617 0.66157 -0.23147
6505.0000 -49.59151 -48.72956 0.86195 1.67640 -49.18982 321.37499
6510.0000 -50.10055 -49.48480 0.61575 1.68185 -49.14833 349.47658
6515.0000 -50.09056 -49.34412 0.74644 1.67178 -49.22494 321.74012
6520.0000 -50.18647 -49.19741 0.98907 1.64972 -49.39290 293.60715
6525.0000 -50.28164 -49.48123 0.80040 1.67689 -49.18606 330.20291
6530.0000 -49.93476 -49.02745 0.90731 1.64211 -49.45083 276.28554
6535.0000 -50.17119 -49.52999 0.64120 1.65731 -49.33508 299.04449
6540.0000 -50.18695 -49.70800 0.47895 1.61950 -49.62291 248.58660
6545.0000 -50.09707 -49.27221 0.82486 1.64882 -49.39975 302.63478
6550.0000 -50.30792 -49.27700 1.03092 1.66423 -49.28244 318.24526
6555.0000 -50.00195 -49.35692 0.64503 1.65593 -49.34563 303.72881
6560.0000 -49.99452 -49.26153 0.73298 1.67126 -49.22895 319.82740
6565.0000 -50.22900 -49.40809 0.82091 1.62563 -49.57628 267.72764
6570.0000 -50.00266 -49.17024 0.83242 1.65257 -49.37119 298.66758
6575.0000 -50.27547 -49.28955 0.98592 1.68343 -49.13629 332.77000
6580.0000 -50.34243 -49.53495 0.80747 1.64107 -49.45877 282.19068
6585.0000 -50.53348 -49.80544 0.72804 1.62958 -49.54621 265.30826
6590.0000 -50.21199 -49.43793 0.77406 1.63549 -49.50117 269.66394
6595.0000 -50.21665 -49.50108 0.71557 1.63175 -49.52964 262.96970
6600.0000 -49.94263 -49.12780 0.81482 1.66400 -49.28419 315.12193
6605.0000 -49.94473 -49.10297 0.84176 1.68096 -49.15512 334.79026
6610.0000 -50.23126 -49.28271 0.94855 1.66728 -49.25919 308.22250
6615.0000 -50.04425 -49.32483 0.71942 1.66275 -49.29368 305.50319
6620.0000 -50.21958 -49.40346 0.81612 1.65692 -49.33810 309.24863
6625.0000 -50.38042 -49.67496 0.70546 1.62802 -49.55809 272.30639
6630.0000 -50.30304 -49.55027 0.75277 1.62999 -49.54310 276.47459
6635.0000 -50.07346 -49.25337 0.82008 1.63615 -49.49619 275.65116
6640.0000 -50.16252 -49.51382 0.64870 1.64021 -49.46531 280.26385
6645.0000 -50.06138 -49.48068 0.58070 1.62790 -49.55895 265.44937
6650.0000 -49.97130 -49.46750 0.50380 1.63211 -49.52696 262.98229
6655.0000 -50.31633 -49.74767 0.56865 1.61938 -49.62383 244.36723
6660.0000 -50.41788 -49.81064 0.60723 1.60019 -49.76993 222.35560
6665.0000 -50.14639 -49.39810 0.74828 1.61639 -49.64661 246.28071
6670.0000 -50.15750 -49.54704 0.61046 1.63663 -49.49254 270.71891
6675.0000 -50.17297 -49.11193 1.06104 1.67322 -49.21404 310.52678
6680.0000 -49.98291 -49.02661 0.95630 1.67970 -49.16472 314.82352
6685.0000 -49.93823 -49.04678 0.89145 1.68945 -49.09051 329.98535
6690.0000 -50.19434 -49.24553 0.94881 1.66952 -49.24218 316.82222
6695.0000 -50.21418 -49.32603 0.88815 1.67478 -49.20213 328.13745
6700.0000 -50.07704 -49.42710 0.64994 1.66453 -49.28016 316.99303
6705.0000 -50.03789 -49.04010 0.99779 1.63741 -49.48662 275.04187
6710.0000 -50.11013 -49.16925 0.94089 1.68193 -49.14771 335.10587
6715.0000 -50.24919 -49.50731 0.74188 1.65037 -49.38796 297.29759
6720.0000 -49.87705 -49.16087 0.71617 1.65335 -49.36525 294.44098
6725.0000 -50.08781 -49.37987 0.70794 1.64999 -49.39080 295.50663
6730.0000 -50.19611 -49.34141 0.85470 1.66401 -49.28414 309.30398
6735.0000 -50.25999 -49.42421 0.83578 1.66137 -49.30424 311.64228
6740.0000 -49.93875 -49.08070 0.85805 1.68642 -49.11353 335.11669
6745.0000 -49.80880 -48.93998 0.86882 1.70757 -48.95253 367.60671
6750.0000 -50.02083 -49.08066 0.94017 1.70191 -48.99566 365.58032
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 5.1391406 [s].
main_MD> Deallocating global variables
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