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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_83/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_83.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 = 83 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1500
main_MD> Size of nv and nvoiz: 83 8300
main_MD> Size of nv and nvoiz: 83 8300
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 = 83
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14570564032684169 5.2691744714566745E-002 -7.9621958266816298E-002 initial drift of cluster / NP1 for coalescence
init> 0.32710545062577695 0.34857431363211649 0.29365652110492235 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5087161806736365E-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) 1.38066 4.92336 0.36675
force_rgl> df(natom) 0.38661 2.99503 -3.93486
preparo> THERMALIZATION PROCESS AT 1070.3396788673547
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -186.85959739493020 12.368185065485857 -199.22778246041605 6.4124259745874208E-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 30
FREEZING PROCESS: loop number 1 T-loop= 1043.0000000000000
main_MD> interactions number 1 at Temperature= 1043.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30951 0.66706 1.41206
force_rgl> df(natom) -1.74459 0.02927 0.98054
5.0000 -200.51365 -187.89313 12.62051 2.97851 -188.17585 1015.82889
10.0000 -198.03837 -185.99980 12.03857 3.00906 -187.59460 1080.03186
15.0000 -200.25440 -188.81528 11.43912 3.09039 -186.04704 1091.41734
20.0000 -200.06370 -189.99781 10.06589 3.02780 -187.23799 1076.76939
25.0000 -200.70360 -190.52725 10.17635 2.88456 -189.96365 970.71619
30.0000 -200.26269 -190.03569 10.22700 2.83426 -190.92067 925.06090
35.0000 -196.64664 -184.83390 11.81274 3.01715 -187.44064 1053.07012
40.0000 -199.57071 -188.66444 10.90627 3.04239 -186.96036 1087.35050
45.0000 -199.70957 -186.58927 13.12029 2.96497 -188.43351 1053.47849
50.0000 -196.38059 -185.49065 10.88995 3.06983 -186.43836 1044.96942
55.0000 -197.29068 -184.24677 13.04391 3.14315 -185.04324 1129.49567
60.0000 -197.14773 -184.88796 12.25977 3.14744 -184.96157 1143.18915
65.0000 -196.88084 -187.47499 9.40584 3.06376 -186.55384 1100.23048
70.0000 -200.39595 -189.75398 10.64197 2.91340 -189.41486 985.11443
75.0000 -200.82709 -189.22562 11.60146 2.92404 -189.21235 993.19899
80.0000 -199.54906 -187.24400 12.30507 2.96547 -188.42409 1023.23656
85.0000 -198.41907 -187.35413 11.06495 3.03961 -187.01328 1078.58011
90.0000 -197.74826 -185.95447 11.79380 3.02372 -187.31571 1061.93531
95.0000 -199.06165 -184.99519 14.06646 3.13918 -185.11882 1149.01136
100.0000 -199.19781 -189.46236 9.73545 3.04720 -186.86896 1088.52038
105.0000 -200.67242 -188.52499 12.14743 2.92776 -189.14149 1007.67717
110.0000 -200.60214 -188.66693 11.93521 2.93137 -189.07289 1013.11126
115.0000 -200.91097 -189.21928 11.69169 2.93131 -189.07399 1000.82249
120.0000 -200.23880 -188.09804 12.14075 2.91841 -189.31950 1007.32120
125.0000 -197.84269 -183.91715 13.92554 3.07504 -186.33912 1134.93153
130.0000 -197.73535 -187.00305 10.73231 3.08855 -186.08213 1113.50963
135.0000 -201.26052 -190.04494 11.21558 2.98887 -187.97878 1020.74729
140.0000 -200.89982 -189.88040 11.01942 2.87319 -190.17987 991.45836
145.0000 -198.92681 -188.21520 10.71161 2.91670 -189.35199 1018.26577
150.0000 -202.34305 -189.46328 12.87977 2.95308 -188.65988 1006.87275
155.0000 -199.60944 -187.90179 11.70764 2.96659 -188.40268 1040.88264
160.0000 -200.22745 -189.70844 10.51901 2.93295 -189.04290 981.54726
165.0000 -199.64091 -189.38685 10.25406 2.91308 -189.42092 978.24055
170.0000 -201.08204 -190.99760 10.08445 2.89133 -189.83482 989.87926
175.0000 -200.41894 -187.48176 12.93718 2.85777 -190.47338 972.09848
180.0000 -199.04026 -188.54123 10.49903 3.00076 -187.75256 1052.75558
185.0000 -198.50848 -187.16608 11.34241 3.01638 -187.45532 1033.55949
190.0000 -197.76734 -186.83305 10.93429 3.04171 -186.97346 1042.87725
195.0000 -198.21412 -186.25600 11.95812 3.13335 -185.22965 1125.55266
200.0000 -195.47479 -184.78412 10.69067 3.06460 -186.53785 1078.51138
205.0000 -199.12826 -188.78992 10.33834 3.06009 -186.62357 1059.72063
210.0000 -199.59133 -187.51120 12.08013 2.95735 -188.57855 1034.71582
215.0000 -199.15119 -187.05310 12.09809 3.00807 -187.61353 1048.85013
220.0000 -198.43232 -186.72611 11.70621 3.05913 -186.64188 1100.38135
225.0000 -197.51226 -187.01623 10.49602 3.06516 -186.52711 1064.73523
230.0000 -199.94740 -188.42904 11.51837 2.99705 -187.82320 1029.65419
235.0000 -199.20733 -188.68642 10.52092 2.98071 -188.13403 1028.28680
240.0000 -199.11747 -188.17653 10.94094 2.95172 -188.68569 1045.99930
245.0000 -201.33319 -190.97647 10.35672 2.86693 -190.29902 963.83339
250.0000 -197.87623 -186.61184 11.26439 2.94065 -188.89639 1001.37490
FREEZING PROCESS: loop number 2 T-loop= 1018.0000000000000
main_MD> interactions number 2 at Temperature= 1018.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57803 1.45013 1.17260
force_rgl> df(natom) -3.63745 -3.59872 2.56680
255.0000 -197.37726 -185.58821 11.78906 3.11663 -185.54780 1132.16586
260.0000 -199.71175 -188.46164 11.25011 3.04774 -186.85869 1082.04870
265.0000 -200.12808 -188.76885 11.35923 2.96749 -188.38555 1060.50493
270.0000 -199.63780 -188.03266 11.60514 2.99615 -187.84035 1040.02169
275.0000 -198.39153 -187.27528 11.11625 2.98916 -187.97324 1030.69059
280.0000 -199.30733 -187.97411 11.33321 3.02782 -187.23771 1054.22442
285.0000 -199.27135 -188.82332 10.44803 2.89701 -189.72677 986.32432
290.0000 -197.46652 -187.03114 10.43538 2.95817 -188.56303 1003.96209
295.0000 -198.03961 -186.32809 11.71153 3.11068 -185.66096 1126.34915
300.0000 -199.95135 -187.46204 12.48931 3.09024 -186.05002 1104.93296
305.0000 -197.44566 -187.50194 9.94372 3.01363 -187.50773 1054.06061
310.0000 -200.16522 -189.49880 10.66642 2.96591 -188.41570 1040.63108
315.0000 -199.09735 -190.10404 8.99331 2.85677 -190.49238 943.20950
320.0000 -199.04395 -188.15836 10.88559 2.90645 -189.54713 981.48613
325.0000 -198.94290 -187.62352 11.31938 2.96381 -188.45566 1042.21083
330.0000 -199.68339 -189.82497 9.85843 2.97730 -188.19888 1032.27686
335.0000 -198.97280 -190.50313 8.46967 2.92501 -189.19394 1021.46787
340.0000 -199.53272 -189.08220 10.45053 2.87177 -190.20686 973.63798
345.0000 -200.48903 -189.62774 10.86129 2.99608 -187.84163 1054.54362
350.0000 -200.13226 -188.66981 11.46245 2.90234 -189.62533 1000.10613
355.0000 -197.91114 -187.67304 10.23810 2.99151 -187.92858 1024.14668
360.0000 -199.92296 -189.09280 10.83016 2.98808 -187.99374 1050.22904
365.0000 -200.64788 -189.72429 10.92359 2.89643 -189.73763 984.55489
370.0000 -200.29268 -191.39293 8.89975 2.82009 -191.19036 930.75024
375.0000 -198.51757 -189.24674 9.27083 2.87405 -190.16362 968.17830
380.0000 -198.33423 -187.88358 10.45065 2.91728 -189.34091 986.04836
385.0000 -200.33666 -189.06408 11.27258 2.99640 -187.83549 1049.10802
390.0000 -198.90092 -186.76498 12.13594 2.97244 -188.29140 1050.56331
395.0000 -199.24800 -188.99549 10.25251 2.94137 -188.88268 1027.87040
400.0000 -202.01138 -191.28200 10.72939 2.82019 -191.18838 959.03737
405.0000 -200.31386 -190.12106 10.19280 2.89519 -189.76127 989.25360
410.0000 -198.59709 -188.98821 9.60887 2.91781 -189.33088 1024.15731
415.0000 -197.73255 -185.59521 12.13734 3.01180 -187.54245 1090.91244
420.0000 -197.73111 -185.46284 12.26827 3.16519 -184.62388 1166.99950
425.0000 -198.14737 -186.50227 11.64509 3.06709 -186.49042 1096.22860
430.0000 -198.95153 -188.07535 10.87618 2.98842 -187.98735 1046.47216
435.0000 -198.26674 -186.47047 11.79627 3.05811 -186.66133 1110.33958
440.0000 -200.34742 -190.78402 9.56340 2.93011 -189.09691 1006.77325
445.0000 -200.21107 -189.68014 10.53093 2.83313 -190.94209 902.41016
450.0000 -200.38905 -188.59540 11.79364 2.88601 -189.93600 960.93950
455.0000 -200.55303 -189.50936 11.04367 2.92681 -189.15959 991.66735
460.0000 -199.95731 -190.12475 9.83257 2.93047 -189.09007 1018.60727
465.0000 -200.98561 -189.49465 11.49096 2.88477 -189.95965 997.99035
470.0000 -199.88084 -190.23232 9.64852 2.88221 -190.00836 983.15628
475.0000 -199.50886 -189.27950 10.22936 2.88374 -189.97909 973.20306
480.0000 -202.85029 -190.96080 11.88949 2.85352 -190.55425 975.90455
485.0000 -200.99766 -188.72393 12.27373 2.95142 -188.69142 1014.96790
490.0000 -199.28933 -187.55390 11.73543 2.97673 -188.20971 1070.74219
495.0000 -198.97394 -188.34894 10.62500 2.94629 -188.78899 1001.85970
500.0000 -199.76095 -190.37454 9.38641 2.93766 -188.95319 1014.39296
FREEZING PROCESS: loop number 3 T-loop= 993.00000000000000
main_MD> interactions number 3 at Temperature= 993.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19967 -2.71996 -0.31980
force_rgl> df(natom) 0.95568 -0.99595 1.80429
505.0000 -200.11230 -188.08155 12.03075 2.95798 -188.56649 1022.25727
510.0000 -198.83947 -186.95470 11.88477 3.03348 -187.12998 1080.60595
515.0000 -197.66984 -188.09221 9.57763 3.04943 -186.82640 1064.23024
520.0000 -200.63907 -191.00148 9.63759 2.95000 -188.71837 1009.58817
525.0000 -199.47051 -189.01481 10.45569 2.86931 -190.25381 950.87240
530.0000 -198.61429 -187.95933 10.65496 2.94349 -188.84228 1030.93263
535.0000 -198.44724 -187.59814 10.84910 3.01822 -187.42025 1034.18250
540.0000 -199.65073 -187.63777 12.01296 3.01234 -187.53224 1037.05710
545.0000 -199.74149 -188.90089 10.84061 2.95209 -188.67871 1036.17182
550.0000 -199.11708 -189.58354 9.53354 2.95079 -188.70346 1040.23802
555.0000 -200.37547 -189.25938 11.11609 2.92924 -189.11342 1000.67220
560.0000 -199.80592 -189.29969 10.50624 2.84334 -190.74797 988.54718
565.0000 -200.88139 -190.06327 10.81812 2.86661 -190.30505 959.07685
570.0000 -200.99388 -190.59315 10.40074 2.86635 -190.30999 961.09633
575.0000 -200.72818 -189.96344 10.76474 2.92725 -189.15131 1009.25427
580.0000 -199.37427 -188.80730 10.56697 2.98042 -188.13955 1023.80473
585.0000 -199.43464 -188.28796 11.14668 2.99986 -187.76976 1057.02064
590.0000 -200.95003 -189.15949 11.79053 2.92084 -189.27323 1007.78362
595.0000 -202.43054 -190.20631 12.22422 2.84958 -190.62921 964.39872
600.0000 -200.14133 -189.69275 10.44858 2.87117 -190.21829 979.20991
605.0000 -201.13983 -191.71662 9.42321 2.85730 -190.48226 921.20533
610.0000 -201.60287 -190.56453 11.03834 2.81752 -191.23926 927.24550
615.0000 -199.92083 -188.67803 11.24280 2.91554 -189.37412 994.59957
620.0000 -200.78188 -189.21680 11.56508 2.92086 -189.27294 997.03346
625.0000 -199.38685 -188.10006 11.28679 2.92204 -189.25047 988.84087
630.0000 -200.62327 -189.14546 11.47781 2.95051 -188.70869 1033.78684
635.0000 -200.99534 -188.68295 12.31239 2.94434 -188.82603 1004.74853
640.0000 -202.71071 -192.13692 10.57379 2.88633 -189.92993 952.10607
645.0000 -201.52409 -191.04249 10.48159 2.85176 -190.58765 935.60082
650.0000 -201.04293 -189.28086 11.76206 2.92293 -189.23341 1019.43163
655.0000 -199.69921 -187.76769 11.93152 2.99789 -187.80726 1049.27269
660.0000 -199.56155 -191.04860 8.51294 2.99279 -187.90427 1037.44184
665.0000 -200.09897 -188.55140 11.54757 2.88825 -189.89330 982.44657
670.0000 -200.64039 -189.94906 10.69133 2.92965 -189.10568 1011.21384
675.0000 -200.90398 -187.45125 13.45273 2.93381 -189.02637 996.59136
680.0000 -200.30473 -188.72882 11.57591 2.98396 -188.07219 1019.11164
685.0000 -199.69472 -187.96125 11.73348 3.00061 -187.75539 1053.41317
690.0000 -198.17998 -187.85063 10.32935 2.95632 -188.59819 1016.83166
695.0000 -200.49633 -188.20123 12.29509 3.01444 -187.49228 1065.90024
700.0000 -198.73876 -187.54489 11.19387 2.98508 -188.05085 1002.69594
705.0000 -199.55152 -187.52888 12.02264 2.99249 -187.90995 1031.38971
710.0000 -199.70360 -188.56243 11.14117 2.97474 -188.24766 1058.39785
715.0000 -202.32539 -190.95918 11.36621 2.88746 -189.90847 978.26246
720.0000 -198.38873 -188.66661 9.72213 2.94756 -188.76489 1026.71540
725.0000 -200.41462 -189.83051 10.58411 2.90938 -189.49139 997.80932
730.0000 -202.44675 -191.10408 11.34267 2.80701 -191.43920 924.44465
735.0000 -202.04921 -192.05006 9.99914 2.82488 -191.09921 947.24614
740.0000 -200.83239 -190.95967 9.87272 2.79734 -191.62312 920.78968
745.0000 -199.12550 -187.47722 11.64828 2.98243 -188.10138 1049.52963
750.0000 -200.98432 -189.18789 11.79643 2.96545 -188.42442 1048.06666
FREEZING PROCESS: loop number 4 T-loop= 968.00000000000000
main_MD> interactions number 4 at Temperature= 968.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92896 -2.88909 -1.54984
force_rgl> df(natom) 1.61126 -1.43413 2.51351
755.0000 -197.85207 -187.79695 10.05512 2.93882 -188.93115 1005.90747
760.0000 -201.42110 -190.54048 10.88061 2.96772 -188.38122 1025.22810
765.0000 -198.78890 -188.02878 10.76012 2.91761 -189.33478 1007.79474
770.0000 -198.27305 -186.99308 11.27996 3.04560 -186.89942 1096.84152
775.0000 -199.90449 -190.49888 9.40561 2.90308 -189.61117 957.38672
780.0000 -201.25017 -188.35413 12.89604 2.93663 -188.97287 1021.30273
785.0000 -199.78716 -188.73443 11.05273 2.85411 -190.54288 957.14590
790.0000 -199.07825 -187.40697 11.67127 2.95903 -188.54654 1023.76093
795.0000 -196.97192 -186.77412 10.19780 3.05520 -186.71661 1103.94438
800.0000 -200.72577 -191.12593 9.59984 2.85925 -190.44526 964.87258
805.0000 -201.36339 -191.81151 9.55188 2.87426 -190.15954 972.38572
810.0000 -199.48447 -187.21973 12.26475 2.86309 -190.37218 957.20070
815.0000 -200.38965 -189.91295 10.47669 2.93126 -189.07496 1013.88485
820.0000 -200.42421 -189.77968 10.64454 2.87798 -190.08884 980.07297
825.0000 -200.36010 -190.66851 9.69159 2.90832 -189.51142 1001.13026
830.0000 -200.02280 -189.35061 10.67219 2.94763 -188.76348 1006.81782
835.0000 -199.17349 -188.75990 10.41359 2.97555 -188.23224 1024.03286
840.0000 -199.68856 -188.03922 11.64934 2.98610 -188.03142 1043.08968
845.0000 -199.88635 -191.11685 8.76950 2.93596 -188.98553 1025.20135
850.0000 -200.46547 -190.52387 9.94160 2.84414 -190.73272 944.66192
855.0000 -201.44515 -190.47414 10.97101 2.86795 -190.27956 991.70831
860.0000 -200.05946 -187.55623 12.50323 2.88681 -189.92082 997.49112
865.0000 -199.80577 -188.83096 10.97482 2.93034 -189.09246 1010.05138
870.0000 -200.46218 -190.50448 9.95770 2.91801 -189.32717 971.70058
875.0000 -200.26045 -189.12862 11.13183 2.94998 -188.71874 1024.75973
880.0000 -200.43387 -190.05576 10.37811 2.93713 -188.96330 989.74108
885.0000 -199.50404 -189.49611 10.00793 2.88431 -189.96828 960.50282
890.0000 -200.66598 -190.62578 10.04020 2.87642 -190.11850 974.91288
895.0000 -201.15703 -191.18830 9.96873 2.83821 -190.84543 950.85676
900.0000 -200.42714 -189.63199 10.79514 2.78638 -191.83166 912.67658
905.0000 -198.42713 -188.97929 9.44784 2.92591 -189.17684 1015.77861
910.0000 -200.46324 -190.96101 9.50222 2.86112 -190.40964 971.48964
915.0000 -200.56094 -188.62876 11.93218 2.88520 -189.95149 987.39764
920.0000 -200.20934 -189.90480 10.30453 2.96313 -188.46852 1038.90586
925.0000 -200.48555 -190.35111 10.13444 2.82810 -191.03790 940.30668
930.0000 -201.21564 -188.39001 12.82562 2.92003 -189.28859 965.41031
935.0000 -199.23177 -189.97266 9.25911 2.90962 -189.48670 1008.94819
940.0000 -200.20608 -189.90344 10.30263 2.85091 -190.60378 949.38184
945.0000 -200.93981 -190.37988 10.55992 2.86796 -190.27947 956.54338
950.0000 -198.66268 -187.73379 10.92888 2.88056 -190.03970 969.18816
955.0000 -200.58905 -189.80005 10.78899 2.91562 -189.37254 993.83703
960.0000 -200.02618 -189.34834 10.67784 2.86955 -190.24914 1018.47783
965.0000 -199.85189 -189.52836 10.32353 2.88509 -189.95345 989.88638
970.0000 -199.92080 -187.93927 11.98154 2.89300 -189.80296 1005.57549
975.0000 -199.05059 -187.50601 11.54458 3.00212 -187.72663 1067.50548
980.0000 -199.29418 -187.65811 11.63607 2.99309 -187.89848 1031.41636
985.0000 -201.03351 -189.01587 12.01763 2.97198 -188.30024 1039.53218
990.0000 -199.91362 -187.75477 12.15884 3.00415 -187.68802 1069.93529
995.0000 -200.32269 -187.34626 12.97643 3.02443 -187.30209 1037.54910
1000.0000 -202.06724 -191.34724 10.72000 2.92324 -189.22763 985.39055
FREEZING PROCESS: loop number 5 T-loop= 943.00000000000000
main_MD> interactions number 5 at Temperature= 943.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.87701 -5.68232 -0.55019
force_rgl> df(natom) -0.47114 2.67204 0.95269
1005.0000 -203.31725 -192.23071 11.08654 2.77940 -191.96460 923.88745
1010.0000 -201.66232 -192.34680 9.31553 2.75721 -192.38684 891.80903
1015.0000 -202.29336 -192.81261 9.48075 2.76158 -192.30362 886.48526
1020.0000 -203.09157 -191.97265 11.11891 2.77564 -192.03612 928.45270
1025.0000 -201.43013 -191.46367 9.96646 2.83067 -190.98889 943.82415
1030.0000 -200.09311 -190.74444 9.34868 2.82913 -191.01833 958.28516
1035.0000 -200.73450 -191.47468 9.25982 2.84733 -190.67206 947.69117
1040.0000 -201.77009 -191.24635 10.52374 2.77684 -192.01319 914.37176
1045.0000 -201.75056 -192.87748 8.87308 2.79073 -191.74890 929.41706
1050.0000 -202.35704 -192.94126 9.41578 2.79557 -191.65685 924.41960
1055.0000 -201.76146 -190.54156 11.21989 2.77617 -192.02589 891.58498
1060.0000 -202.19766 -192.13839 10.05927 2.78225 -191.91030 917.76052
1065.0000 -202.38944 -191.58270 10.80674 2.85164 -190.59002 978.74417
1070.0000 -201.71698 -191.06844 10.64854 2.85276 -190.56872 953.67997
1075.0000 -202.41503 -190.76676 11.64826 2.83174 -190.96858 943.11648
1080.0000 -201.15315 -189.47426 11.67889 2.84851 -190.64946 939.75759
1085.0000 -201.38593 -191.53678 9.84915 2.86945 -190.25107 960.27145
1090.0000 -199.89561 -189.83970 10.05591 2.84231 -190.76742 929.68462
1095.0000 -201.29810 -191.10476 10.19334 2.82353 -191.12490 933.01101
1100.0000 -201.30980 -190.59295 10.71684 2.87542 -190.13744 961.79397
1105.0000 -201.10819 -193.20020 7.90799 2.74330 -192.65148 881.70852
1110.0000 -201.94622 -192.15921 9.78701 2.77185 -192.10820 901.73071
1115.0000 -202.66370 -192.63191 10.03180 2.79072 -191.74911 918.91958
1120.0000 -202.33137 -192.71665 9.61472 2.72670 -192.96722 880.46103
1125.0000 -202.04841 -192.23307 9.81534 2.70006 -193.47419 883.41723
1130.0000 -202.28604 -192.02861 10.25744 2.75949 -192.34342 910.18409
1135.0000 -201.24165 -192.84508 8.39658 2.75508 -192.42722 905.68128
1140.0000 -200.43763 -191.77518 8.66245 2.72317 -193.03438 842.94922
1145.0000 -200.22735 -190.63529 9.59205 2.88572 -189.94148 955.83023
1150.0000 -200.32210 -189.50546 10.81664 2.88197 -190.01287 1031.36745
1155.0000 -201.14581 -192.79493 8.35087 2.88072 -190.03664 979.86290
1160.0000 -199.74043 -189.27275 10.46768 2.82262 -191.14214 932.80022
1165.0000 -199.09643 -188.43849 10.65794 2.89259 -189.81082 959.10359
1170.0000 -201.25408 -189.78821 11.46587 2.93314 -189.03926 1022.26969
1175.0000 -200.89007 -192.13396 8.75611 2.82914 -191.01808 983.83683
1180.0000 -199.66116 -188.40766 11.25350 2.85183 -190.58627 968.46419
1185.0000 -202.30985 -192.73805 9.57180 2.86859 -190.26745 947.83550
1190.0000 -201.27181 -189.79046 11.48135 2.79299 -191.70588 948.76242
1195.0000 -197.93622 -188.37929 9.55693 2.92267 -189.23836 972.75585
1200.0000 -200.10437 -189.36351 10.74085 2.93770 -188.95245 971.93357
1205.0000 -200.97174 -189.60402 11.36772 2.97674 -188.20961 1034.80304
1210.0000 -201.96170 -190.48284 11.47886 2.91403 -189.40286 998.25027
1215.0000 -201.11301 -189.68167 11.43134 2.92047 -189.28022 1018.98735
1220.0000 -201.45496 -190.90683 10.54812 2.87802 -190.08797 971.86418
1225.0000 -200.63470 -190.80027 9.83443 2.82467 -191.10306 972.23317
1230.0000 -200.86199 -189.79451 11.06747 2.85284 -190.56722 969.94928
1235.0000 -202.52500 -192.51470 10.01030 2.77122 -192.12015 912.27116
1240.0000 -202.87620 -191.33579 11.54041 2.78629 -191.83337 947.34163
1245.0000 -200.93844 -191.01049 9.92795 2.81442 -191.29820 948.55034
1250.0000 -201.26761 -191.26734 10.00027 2.80229 -191.52902 915.19818
FREEZING PROCESS: loop number 6 T-loop= 918.00000000000000
main_MD> interactions number 6 at Temperature= 918.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.72484 -1.49760 0.67312
force_rgl> df(natom) 1.18130 0.94100 -0.84221
1255.0000 -199.05583 -189.24645 9.80938 2.87036 -190.23375 956.71101
1260.0000 -201.80214 -190.38796 11.41418 2.82941 -191.01291 938.85848
1265.0000 -199.26301 -189.06826 10.19475 2.90787 -189.52005 989.17601
1270.0000 -201.72552 -191.21510 10.51042 2.84048 -190.80224 939.13629
1275.0000 -202.62698 -193.78622 8.84076 2.81068 -191.36929 934.01005
1280.0000 -201.67886 -192.80181 8.87704 2.72164 -193.06350 866.77642
1285.0000 -202.31492 -190.77061 11.54432 2.76467 -192.24485 893.89122
1290.0000 -199.11326 -187.84165 11.27162 2.97833 -188.17932 1047.96095
1295.0000 -201.81913 -190.87265 10.94648 2.91307 -189.42106 1031.59077
1300.0000 -200.52782 -190.19459 10.33322 2.80534 -191.47094 943.78958
1305.0000 -202.45912 -193.09084 9.36827 2.76070 -192.32026 913.68199
1310.0000 -202.19211 -192.31664 9.87548 2.78555 -191.84741 914.53097
1315.0000 -199.94028 -189.43649 10.50380 2.85004 -190.62033 953.79676
1320.0000 -199.94885 -189.22765 10.72120 2.92060 -189.27791 1001.74054
1325.0000 -200.68130 -192.01556 8.66574 2.92705 -189.15504 992.96421
1330.0000 -202.48343 -192.73546 9.74797 2.74878 -192.54723 913.89950
1335.0000 -202.58121 -192.61460 9.96662 2.74159 -192.68397 878.23361
1340.0000 -200.71209 -191.05916 9.65293 2.77237 -192.09821 902.34312
1345.0000 -203.36758 -192.96637 10.40121 2.78127 -191.92903 894.92706
1350.0000 -203.44206 -195.42268 8.01937 2.70656 -193.35045 883.88030
1355.0000 -202.63450 -193.09562 9.53888 2.62344 -194.93206 802.00175
1360.0000 -200.96049 -192.18979 8.77070 2.73796 -192.75301 891.83121
1365.0000 -201.36633 -192.17106 9.19528 2.80179 -191.53843 923.05112
1370.0000 -202.20160 -193.08091 9.12069 2.75298 -192.46723 909.14359
1375.0000 -201.60685 -191.27951 10.32735 2.80125 -191.54870 897.66120
1380.0000 -202.94052 -191.55925 11.38127 2.80141 -191.54574 907.15683
1385.0000 -202.51101 -193.68870 8.82231 2.76303 -192.27608 909.90882
1390.0000 -201.32200 -191.33712 9.98487 2.74414 -192.63548 875.89675
1395.0000 -201.18481 -192.31153 8.87328 2.74076 -192.69984 847.60245
1400.0000 -201.24723 -191.38786 9.85937 2.76995 -192.14429 904.72823
1405.0000 -201.65524 -192.41109 9.24415 2.76970 -192.14914 880.42439
1410.0000 -201.31356 -191.32312 9.99044 2.76585 -192.22231 895.63583
1415.0000 -202.31893 -192.85418 9.46474 2.79412 -191.68436 929.77826
1420.0000 -201.47556 -189.62028 11.85528 2.80225 -191.52976 937.07641
1425.0000 -199.55257 -188.89061 10.66197 2.90032 -189.66366 981.25152
1430.0000 -200.43262 -191.33271 9.09991 2.82686 -191.06140 926.79738
1435.0000 -199.94718 -190.86736 9.07982 2.83203 -190.96319 939.55702
1440.0000 -201.61942 -191.28828 10.33114 2.79478 -191.67196 926.82031
1445.0000 -201.23290 -191.02259 10.21031 2.79809 -191.60892 898.24935
1450.0000 -199.48575 -190.03488 9.45087 2.87618 -190.12306 944.02712
1455.0000 -200.80437 -190.75605 10.04832 2.88058 -190.03923 989.61776
1460.0000 -203.05095 -192.28858 10.76237 2.77519 -192.04470 877.60258
1465.0000 -201.67781 -192.89045 8.78736 2.75347 -192.45790 926.06038
1470.0000 -201.63833 -190.79733 10.84100 2.74063 -192.70213 881.40958
1475.0000 -200.66750 -190.85380 9.81370 2.86149 -190.40261 959.16030
1480.0000 -199.86424 -189.87220 9.99204 2.88572 -189.94142 948.22594
1485.0000 -202.85117 -191.47081 11.38036 2.80614 -191.45573 951.96058
1490.0000 -202.33113 -192.73774 9.59339 2.78072 -191.93941 905.53717
1495.0000 -200.37511 -190.60853 9.76658 2.81840 -191.22240 940.03578
1500.0000 -202.00571 -191.50266 10.50305 2.79266 -191.71221 919.11170
FREEZING PROCESS: loop number 7 T-loop= 893.00000000000000
main_MD> interactions number 7 at Temperature= 893.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.74594 0.47948 1.60292
force_rgl> df(natom) 2.66481 -2.15554 -1.20419
1505.0000 -202.92323 -192.27991 10.64332 2.80188 -191.53683 901.68005
1510.0000 -202.06862 -193.28564 8.78298 2.74505 -192.61821 891.09967
1515.0000 -200.49103 -191.54852 8.94250 2.71160 -193.25468 857.79634
1520.0000 -204.10230 -193.99466 10.10764 2.77883 -191.97532 897.83539
1525.0000 -203.02791 -192.76379 10.26412 2.73153 -192.87544 890.21245
1530.0000 -201.39330 -191.51930 9.87400 2.74964 -192.53073 889.72031
1535.0000 -202.65742 -192.02008 10.63734 2.77873 -191.97727 906.60995
1540.0000 -203.67882 -193.56938 10.10943 2.74829 -192.55642 897.65463
1545.0000 -201.93459 -192.74440 9.19019 2.72184 -193.05966 882.03436
1550.0000 -202.38691 -194.18744 8.19947 2.71762 -193.14003 877.48074
1555.0000 -202.36267 -191.63333 10.72934 2.70902 -193.30363 844.95358
1560.0000 -202.34298 -193.24654 9.09645 2.79656 -191.63804 903.29332
1565.0000 -201.62349 -192.56697 9.05653 2.71005 -193.28417 850.37973
1570.0000 -202.27182 -192.76807 9.50375 2.73649 -192.78102 857.60241
1575.0000 -203.59533 -194.19304 9.40228 2.66084 -194.22043 822.58008
1580.0000 -200.75611 -192.72616 8.02995 2.70231 -193.43132 850.77743
1585.0000 -200.98178 -191.67664 9.30514 2.73423 -192.82397 871.54422
1590.0000 -202.02838 -192.87729 9.15109 2.78517 -191.85476 917.47483
1595.0000 -203.48930 -193.28324 10.20606 2.70062 -193.46361 865.30028
1600.0000 -203.15989 -194.19387 8.96602 2.70436 -193.39244 845.55704
1605.0000 -202.93904 -193.80981 9.12923 2.66732 -194.09709 849.56025
1610.0000 -203.21906 -193.12146 10.09760 2.67894 -193.87610 859.23444
1615.0000 -200.86916 -190.85131 10.01784 2.81990 -191.19381 936.18075
1620.0000 -201.26478 -191.82134 9.44344 2.82447 -191.10693 956.49698
1625.0000 -202.70160 -193.29170 9.40989 2.75945 -192.34413 876.34771
1630.0000 -201.45015 -192.97250 8.47765 2.75625 -192.40506 905.27810
1635.0000 -204.26648 -194.35087 9.91561 2.73080 -192.88925 891.51349
1640.0000 -202.99516 -193.57754 9.41762 2.69661 -193.53983 878.05402
1645.0000 -203.59899 -194.84062 8.75838 2.71806 -193.13164 867.12801
1650.0000 -204.66316 -195.31651 9.34665 2.59884 -195.40010 763.81143
1655.0000 -201.01528 -192.48242 8.53286 2.65738 -194.28637 828.83691
1660.0000 -204.38105 -194.04937 10.33169 2.69421 -193.58556 862.55982
1665.0000 -202.38917 -192.64839 9.74078 2.74016 -192.71121 872.90076
1670.0000 -200.74940 -192.99962 7.74978 2.74622 -192.59582 871.32961
1675.0000 -202.12305 -192.33691 9.78614 2.75353 -192.45683 885.88185
1680.0000 -201.94782 -192.89674 9.05108 2.72398 -193.01909 873.14381
1685.0000 -203.49330 -193.55688 9.93642 2.72642 -192.97252 857.15931
1690.0000 -203.75701 -194.21091 9.54610 2.70113 -193.45377 858.62255
1695.0000 -203.05206 -195.65366 7.39840 2.64578 -194.50709 840.45090
1700.0000 -203.02242 -193.06331 9.95910 2.60647 -195.25501 804.57298
1705.0000 -203.59369 -193.16751 10.42618 2.71679 -193.15591 895.16289
1710.0000 -203.02505 -193.06207 9.96298 2.69644 -193.54309 897.49263
1715.0000 -199.85603 -190.91826 8.93776 2.79670 -191.63543 920.69489
1720.0000 -202.13860 -193.51765 8.62094 2.80422 -191.49228 902.68122
1725.0000 -203.17336 -192.83888 10.33448 2.69266 -193.61506 872.49190
1730.0000 -201.74229 -193.05510 8.68719 2.77754 -191.99986 912.10745
1735.0000 -203.64494 -195.53779 8.10715 2.65915 -194.25269 832.78611
1740.0000 -203.61683 -194.80908 8.80775 2.62477 -194.90672 828.51310
1745.0000 -204.00743 -194.85535 9.15208 2.62197 -194.96013 825.52044
1750.0000 -204.39323 -195.47921 8.91402 2.57881 -195.78119 793.16317
FREEZING PROCESS: loop number 8 T-loop= 868.00000000000000
main_MD> interactions number 8 at Temperature= 868.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22420 1.61210 0.24729
force_rgl> df(natom) -1.88136 -2.85771 0.88194
1755.0000 -202.48386 -194.08187 8.40199 2.66502 -194.14085 826.26997
1760.0000 -202.53763 -193.15365 9.38398 2.71055 -193.27458 834.79170
1765.0000 -200.93336 -192.23983 8.69354 2.72864 -192.93038 885.12819
1770.0000 -201.03963 -190.98060 10.05903 2.77707 -192.00891 885.36736
1775.0000 -201.72343 -191.18806 10.53537 2.76585 -192.22239 888.28392
1780.0000 -200.95693 -191.87761 9.07931 2.74725 -192.57629 876.76878
1785.0000 -203.70302 -193.53396 10.16906 2.73587 -192.79283 862.13299
1790.0000 -203.53059 -194.42538 9.10521 2.68566 -193.74825 830.23643
1795.0000 -202.29371 -192.12550 10.16821 2.73770 -192.75802 877.46076
1800.0000 -202.82660 -193.38860 9.43800 2.78243 -191.90688 914.03007
1805.0000 -202.67404 -193.90342 8.77062 2.65083 -194.41089 839.85720
1810.0000 -203.06539 -192.35728 10.70811 2.68001 -193.85571 863.34452
1815.0000 -200.63688 -191.70453 8.93235 2.72781 -192.94616 879.34763
1820.0000 -200.49919 -190.26872 10.23046 2.81677 -191.25347 933.29739
1825.0000 -202.24124 -190.71346 11.52778 2.84034 -190.80499 938.16639
1830.0000 -201.73186 -192.15154 9.58032 2.76851 -192.17170 922.91068
1835.0000 -202.77401 -194.52777 8.24624 2.74208 -192.67454 873.69249
1840.0000 -202.69490 -193.76421 8.93069 2.62946 -194.81758 821.24703
1845.0000 -204.08408 -193.97152 10.11256 2.67629 -193.92644 857.61149
1850.0000 -203.06808 -194.57013 8.49794 2.61155 -195.15837 803.21235
1855.0000 -203.26738 -191.91050 11.35688 2.66876 -194.06969 848.21077
1860.0000 -202.20529 -193.60413 8.60116 2.67610 -193.93007 833.11325
1865.0000 -203.08063 -193.75349 9.32714 2.67553 -193.94084 847.91590
1870.0000 -203.17531 -194.01416 9.16115 2.63829 -194.64959 808.17537
1875.0000 -203.78361 -193.99738 9.78623 2.71083 -193.26919 870.65952
1880.0000 -202.14418 -194.75789 7.38628 2.67805 -193.89291 834.25592
1885.0000 -203.97466 -195.11111 8.86355 2.68108 -193.83538 847.32998
1890.0000 -204.56966 -195.01988 9.54978 2.61872 -195.02194 800.19128
1895.0000 -203.96636 -192.36759 11.59877 2.68074 -193.84186 858.29527
1900.0000 -204.25051 -193.94870 10.30181 2.65984 -194.23941 867.71555
1905.0000 -203.96224 -193.66554 10.29670 2.69398 -193.58978 873.28851
1910.0000 -201.64982 -192.32325 9.32657 2.76240 -192.28805 902.59832
1915.0000 -204.37345 -195.73346 8.63999 2.65817 -194.27128 821.50775
1920.0000 -205.08108 -195.53278 9.54830 2.53925 -196.53410 760.92690
1925.0000 -203.89586 -195.58875 8.30711 2.56812 -195.98474 777.87838
1930.0000 -203.55011 -195.54975 8.00036 2.59130 -195.54355 817.51236
1935.0000 -202.38601 -193.20621 9.17980 2.65443 -194.34236 840.37975
1940.0000 -203.64556 -194.36486 9.28070 2.69797 -193.51393 869.70229
1945.0000 -201.39897 -192.95969 8.43928 2.66557 -194.13037 809.59981
1950.0000 -201.48114 -192.92467 8.55647 2.72381 -193.02230 842.37221
1955.0000 -201.73784 -191.86631 9.87153 2.73120 -192.88160 848.47076
1960.0000 -201.62137 -193.09865 8.52272 2.74471 -192.62468 890.95632
1965.0000 -203.13180 -194.83273 8.29907 2.68618 -193.73830 839.99075
1970.0000 -203.16010 -195.83613 7.32397 2.62684 -194.86735 787.53033
1975.0000 -201.82937 -192.30353 9.52585 2.69447 -193.58062 870.01465
1980.0000 -203.04904 -195.24003 7.80901 2.67164 -194.01500 836.85648
1985.0000 -205.26554 -196.80870 8.45685 2.54070 -196.50641 764.26294
1990.0000 -202.38012 -194.00172 8.37840 2.57198 -195.91121 732.51284
1995.0000 -202.06355 -191.12071 10.94284 2.72601 -192.98038 853.39460
2000.0000 -203.64058 -193.07866 10.56192 2.78807 -191.79954 922.35244
FREEZING PROCESS: loop number 9 T-loop= 843.00000000000000
main_MD> interactions number 9 at Temperature= 843.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.06302 0.66617 0.70328
force_rgl> df(natom) 2.15702 -4.74419 -4.89567
2005.0000 -202.32207 -193.22120 9.10087 2.71598 -193.17121 857.73932
2010.0000 -202.57784 -194.44686 8.13098 2.67492 -193.95256 852.40907
2015.0000 -201.39007 -192.32024 9.06983 2.71466 -193.19637 864.03339
2020.0000 -203.02581 -194.46348 8.56233 2.69794 -193.51451 838.35547
2025.0000 -204.15258 -194.47599 9.67658 2.64959 -194.43450 837.71824
2030.0000 -204.81814 -195.30253 9.51561 2.64910 -194.44373 850.63300
2035.0000 -202.38625 -194.03249 8.35376 2.65764 -194.28141 842.95137
2040.0000 -202.36603 -192.84148 9.52455 2.70044 -193.46704 891.26928
2045.0000 -201.08681 -192.65771 8.42910 2.72434 -193.01227 861.08296
2050.0000 -202.06593 -191.96150 10.10443 2.76616 -192.21645 885.22828
2055.0000 -201.15052 -191.50208 9.64843 2.76180 -192.29944 871.30547
2060.0000 -202.80041 -192.86948 9.93092 2.76614 -192.21679 911.80177
2065.0000 -202.58895 -193.89904 8.68991 2.69448 -193.58032 861.73845
2070.0000 -202.91526 -192.96379 9.95147 2.68538 -193.75349 857.64289
2075.0000 -201.83738 -194.51470 7.32268 2.67978 -193.86006 851.87430
2080.0000 -205.28433 -196.45582 8.82851 2.60332 -195.31488 803.22898
2085.0000 -204.26406 -194.94029 9.32377 2.66185 -194.20114 828.05937
2090.0000 -205.19739 -196.48071 8.71668 2.57374 -195.87773 792.91969
2095.0000 -204.73785 -194.99874 9.73910 2.59693 -195.43643 808.63335
2100.0000 -203.85922 -195.56079 8.29843 2.56308 -196.08060 791.63386
2105.0000 -203.37379 -194.80782 8.56597 2.63046 -194.79849 813.25227
2110.0000 -201.54241 -192.29751 9.24490 2.74211 -192.67405 861.21575
2115.0000 -201.04132 -191.74135 9.29997 2.72154 -193.06551 864.37545
2120.0000 -202.61282 -192.69442 9.91841 2.75020 -192.52005 902.73177
2125.0000 -204.62710 -194.82423 9.80287 2.63022 -194.80310 830.17692
2130.0000 -203.50107 -194.66017 8.84089 2.62581 -194.88702 808.42118
2135.0000 -204.06848 -195.88620 8.18228 2.59555 -195.46271 803.42511
2140.0000 -203.65594 -195.08617 8.56977 2.64191 -194.58072 843.94128
2145.0000 -202.61637 -194.47019 8.14618 2.58288 -195.70390 774.90144
2150.0000 -203.63759 -193.65779 9.97980 2.66937 -194.05813 844.82434
2155.0000 -202.37398 -193.61846 8.75553 2.69968 -193.48145 856.27538
2160.0000 -202.75578 -193.01812 9.73766 2.69813 -193.51086 872.56504
2165.0000 -201.62093 -192.53874 9.08219 2.70142 -193.44831 862.27503
2170.0000 -202.36774 -193.62423 8.74351 2.73345 -192.83878 861.44267
2175.0000 -204.64804 -195.37349 9.27455 2.70256 -193.42652 861.91922
2180.0000 -203.76308 -193.89679 9.86628 2.58322 -195.69734 780.43605
2185.0000 -203.87874 -193.95455 9.92419 2.69398 -193.58993 844.54031
2190.0000 -201.73362 -191.91389 9.81973 2.73353 -192.83741 879.51972
2195.0000 -202.81832 -192.02337 10.79495 2.76261 -192.28400 919.03728
2200.0000 -203.37397 -193.80428 9.56970 2.71296 -193.22873 891.00400
2205.0000 -204.30031 -195.92103 8.37928 2.62900 -194.82632 810.78571
2210.0000 -202.67902 -194.17123 8.50779 2.62533 -194.89615 823.10472
2215.0000 -204.66206 -195.14282 9.51924 2.64455 -194.53044 827.55339
2220.0000 -203.11341 -194.10421 9.00919 2.64739 -194.47632 822.06921
2225.0000 -202.01447 -193.01540 8.99907 2.68474 -193.76573 851.02825
2230.0000 -203.91272 -194.87708 9.03564 2.71445 -193.20045 868.90028
2235.0000 -204.23182 -194.86078 9.37104 2.63704 -194.67321 837.49650
2240.0000 -203.60799 -194.48487 9.12312 2.58861 -195.59474 810.98710
2245.0000 -202.12631 -193.85317 8.27314 2.61571 -195.07922 810.41960
2250.0000 -203.76302 -195.60572 8.15730 2.59597 -195.45473 785.72263
FREEZING PROCESS: loop number 10 T-loop= 818.00000000000000
main_MD> interactions number 10 at Temperature= 818.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.46320 -0.03042 0.71944
force_rgl> df(natom) 2.67308 2.02958 2.06172
2255.0000 -202.22449 -191.52257 10.70191 2.69982 -193.47880 849.51396
2260.0000 -201.58323 -191.96474 9.61849 2.76400 -192.25762 898.48935
2265.0000 -200.92933 -192.68212 8.24721 2.73148 -192.87628 880.31232
2270.0000 -200.99495 -191.47096 9.52399 2.78680 -191.82379 912.24509
2275.0000 -205.25244 -195.32127 9.93117 2.66974 -194.05109 853.24430
2280.0000 -204.32708 -195.67991 8.64717 2.58698 -195.62576 804.64515
2285.0000 -203.56169 -195.29458 8.26712 2.61787 -195.03804 825.80657
2290.0000 -203.03912 -194.37041 8.66871 2.62994 -194.80830 814.64297
2295.0000 -203.57022 -194.87738 8.69285 2.65037 -194.41967 818.75597
2300.0000 -204.63287 -195.51931 9.11355 2.62690 -194.86617 813.49938
2305.0000 -205.62517 -196.26526 9.35990 2.59215 -195.52740 798.24129
2310.0000 -205.37434 -197.36101 8.01333 2.50133 -197.25545 738.15787
2315.0000 -203.88674 -194.85326 9.03349 2.54814 -196.36476 759.52644
2320.0000 -202.18708 -194.67005 7.51703 2.65853 -194.26448 816.27964
2325.0000 -203.31436 -193.11870 10.19566 2.64172 -194.58434 822.91566
2330.0000 -204.40828 -195.05063 9.35765 2.71105 -193.26503 855.28339
2335.0000 -203.89294 -195.15820 8.73474 2.62597 -194.88401 809.11429
2340.0000 -202.76003 -195.28458 7.47545 2.60673 -195.24995 788.42113
2345.0000 -202.75621 -194.80671 7.94950 2.61971 -195.00296 814.41641
2350.0000 -202.33806 -193.22738 9.11067 2.66021 -194.23234 850.48008
2355.0000 -203.70453 -195.35726 8.34726 2.62756 -194.85364 822.00768
2360.0000 -203.14802 -194.30796 8.84007 2.63644 -194.68477 812.28387
2365.0000 -204.91387 -193.95692 10.95695 2.65038 -194.41956 850.22356
2370.0000 -203.92300 -195.11556 8.80744 2.63362 -194.73835 832.57130
2375.0000 -202.59323 -194.64556 7.94767 2.65835 -194.26783 837.22083
2380.0000 -202.47094 -193.76091 8.71002 2.65653 -194.30240 823.42596
2385.0000 -203.76624 -193.79595 9.97029 2.64695 -194.48473 832.32618
2390.0000 -203.95907 -196.39512 7.56395 2.62570 -194.88903 803.21116
2395.0000 -204.16281 -195.31498 8.84783 2.61318 -195.12726 794.62766
2400.0000 -204.15657 -196.70798 7.44859 2.57961 -195.76609 768.74188
2405.0000 -204.44337 -195.61126 8.83211 2.54696 -196.38739 769.26626
2410.0000 -204.37618 -196.14249 8.23369 2.60376 -195.30645 810.13042
2415.0000 -205.55992 -196.27290 9.28703 2.55540 -196.22664 777.63095
2420.0000 -203.39772 -194.56051 8.83721 2.57196 -195.91168 778.21055
2425.0000 -201.87104 -194.60001 7.27103 2.67230 -194.00246 830.36950
2430.0000 -203.38600 -194.08341 9.30258 2.64389 -194.54302 804.83455
2435.0000 -202.97081 -193.93214 9.03867 2.68338 -193.79161 838.35588
2440.0000 -204.56744 -196.54389 8.02355 2.59692 -195.43659 813.33186
2445.0000 -203.82659 -194.17869 9.64791 2.54907 -196.34717 786.49300
2450.0000 -202.78474 -194.49620 8.28854 2.64368 -194.54698 822.37648
2455.0000 -203.35411 -194.42756 8.92654 2.61580 -195.07748 805.56618
2460.0000 -203.56926 -194.89111 8.67814 2.62572 -194.88874 828.31720
2465.0000 -202.27719 -194.26433 8.01286 2.65922 -194.25133 842.71825
2470.0000 -203.71725 -193.67817 10.03907 2.62994 -194.80849 816.28184
2475.0000 -204.22072 -194.38018 9.84054 2.68716 -193.71962 851.90254
2480.0000 -200.69860 -192.30061 8.39799 2.62266 -194.94691 811.01957
2485.0000 -202.30733 -192.58552 9.72181 2.76736 -192.19356 911.16529
2490.0000 -202.86240 -192.97875 9.88365 2.72825 -192.93783 881.24488
2495.0000 -202.39432 -193.18768 9.20664 2.74811 -192.55992 879.91849
2500.0000 -203.62155 -194.63969 8.98186 2.67789 -193.89599 864.31786
FREEZING PROCESS: loop number 11 T-loop= 793.00000000000000
main_MD> interactions number 11 at Temperature= 793.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46913 -2.21741 0.29908
force_rgl> df(natom) 0.69648 -0.21448 -1.28059
2505.0000 -202.59830 -193.31736 9.28095 2.65907 -194.25415 820.61600
2510.0000 -202.86836 -194.68904 8.17932 2.71954 -193.10343 880.81288
2515.0000 -203.77209 -196.06209 7.71000 2.62395 -194.92242 797.76865
2520.0000 -203.44608 -194.89586 8.55022 2.60860 -195.21449 782.47364
2525.0000 -204.71830 -196.20555 8.51275 2.55631 -196.20933 758.98101
2530.0000 -204.17658 -197.53015 6.64644 2.50010 -197.27899 715.90783
2535.0000 -204.63467 -195.22105 9.41362 2.55911 -196.15611 785.49684
2540.0000 -201.90786 -193.47955 8.42831 2.64445 -194.53227 838.60516
2545.0000 -204.39252 -195.58571 8.80681 2.66249 -194.18907 822.91644
2550.0000 -203.74548 -194.29856 9.44692 2.67219 -194.00450 840.63028
2555.0000 -204.31242 -195.53581 8.77661 2.58485 -195.66641 792.10147
2560.0000 -202.42533 -194.70233 7.72300 2.60173 -195.34513 789.84771
2565.0000 -201.62881 -192.76684 8.86197 2.68636 -193.73490 843.90860
2570.0000 -203.67257 -195.90509 7.76749 2.66154 -194.20717 841.53970
2575.0000 -203.76695 -196.26944 7.49751 2.55535 -196.22770 761.66486
2580.0000 -204.41549 -196.15728 8.25821 2.54058 -196.50879 760.98414
2585.0000 -204.70428 -195.79455 8.90973 2.53636 -196.58895 776.96090
2590.0000 -205.15765 -196.54543 8.61222 2.55914 -196.15563 784.22382
2595.0000 -204.31811 -195.23028 9.08783 2.55837 -196.17025 773.12960
2600.0000 -204.49289 -195.85708 8.63581 2.59579 -195.45822 776.40828
2605.0000 -204.18414 -195.73024 8.45390 2.54084 -196.50378 753.45744
2610.0000 -202.51463 -193.71569 8.79894 2.60034 -195.37170 750.36723
2615.0000 -203.17133 -194.92216 8.24917 2.62585 -194.88623 821.37137
2620.0000 -204.11309 -195.71955 8.39354 2.58126 -195.73472 785.22495
2625.0000 -203.68214 -195.80459 7.87754 2.56219 -196.09760 784.84430
2630.0000 -203.56370 -195.24046 8.32324 2.59975 -195.38275 816.72238
2635.0000 -202.30509 -194.57313 7.73196 2.62080 -194.98227 824.70242
2640.0000 -204.50526 -196.72589 7.77937 2.58240 -195.71305 783.27069
2645.0000 -205.14060 -196.36535 8.77524 2.52443 -196.81598 744.94842
2650.0000 -205.78154 -197.78581 7.99573 2.52977 -196.71444 761.97339
2655.0000 -203.02383 -194.09974 8.92409 2.56442 -196.05513 785.26118
2660.0000 -203.13392 -193.25615 9.87777 2.68819 -193.70001 861.24057
2665.0000 -202.54335 -194.80986 7.73349 2.66204 -194.19758 826.67017
2670.0000 -204.92764 -196.82271 8.10493 2.57505 -195.85278 787.96584
2675.0000 -204.13735 -195.53079 8.60656 2.50725 -197.14286 735.44171
2680.0000 -206.28785 -198.39168 7.89617 2.53870 -196.54441 767.49602
2685.0000 -202.98509 -195.43622 7.54886 2.48881 -197.49371 723.88851
2690.0000 -204.14529 -195.03069 9.11460 2.58734 -195.61896 801.65948
2695.0000 -204.11669 -195.45145 8.66524 2.61856 -195.02502 805.13210
2700.0000 -202.69189 -195.01248 7.67941 2.67425 -193.96534 855.01003
2705.0000 -205.56599 -197.19950 8.36649 2.54188 -196.48397 777.30554
2710.0000 -204.35634 -195.81639 8.53996 2.54105 -196.49970 779.17214
2715.0000 -203.95759 -197.19270 6.76489 2.50828 -197.12338 739.92761
2720.0000 -204.31906 -196.36184 7.95721 2.55394 -196.25445 792.86023
2725.0000 -203.43145 -195.53621 7.89523 2.53082 -196.69444 754.96771
2730.0000 -203.65039 -195.41128 8.23911 2.58763 -195.61354 775.17037
2735.0000 -203.50640 -195.45805 8.04835 2.60297 -195.32163 814.01633
2740.0000 -204.05829 -196.47466 7.58363 2.60409 -195.30019 784.24935
2745.0000 -206.07246 -197.75843 8.31404 2.54602 -196.40522 752.48403
2750.0000 -205.53262 -196.53224 9.00038 2.49216 -197.42994 716.03737
FREEZING PROCESS: loop number 12 T-loop= 768.00000000000000
main_MD> interactions number 12 at Temperature= 768.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.22289 -0.90573 -2.79171
force_rgl> df(natom) 1.30315 -1.42680 0.55938
2755.0000 -205.53321 -198.13277 7.40044 2.50518 -197.18224 741.13080
2760.0000 -206.17827 -196.67002 9.50825 2.48479 -197.57021 728.45630
2765.0000 -206.07055 -198.30140 7.76915 2.50271 -197.22924 744.15178
2770.0000 -205.82597 -198.02078 7.80519 2.45297 -198.17568 705.31188
2775.0000 -205.67670 -196.98866 8.68804 2.52885 -196.73193 754.99515
2780.0000 -204.82554 -197.05025 7.77528 2.49212 -197.43077 731.00669
2785.0000 -205.24831 -196.98255 8.26577 2.51438 -197.00725 746.98928
2790.0000 -205.84614 -197.53603 8.31011 2.51133 -197.06528 756.59863
2795.0000 -205.46380 -197.94381 7.51999 2.45315 -198.17228 726.57455
2800.0000 -204.11316 -197.42283 6.69034 2.48237 -197.61629 736.87535
2805.0000 -204.79651 -196.75172 8.04479 2.48587 -197.54962 727.56401
2810.0000 -204.67725 -196.21223 8.46502 2.51860 -196.92686 730.00599
2815.0000 -205.67304 -196.67434 8.99870 2.53138 -196.68374 744.80727
2820.0000 -205.35739 -197.42808 7.92931 2.49331 -197.40807 725.91609
2825.0000 -204.30468 -195.24283 9.06185 2.55775 -196.18207 765.48935
2830.0000 -204.23124 -195.74238 8.48885 2.63040 -194.79961 811.84003
2835.0000 -204.27234 -193.85687 10.41547 2.58450 -195.67308 810.10048
2840.0000 -204.33455 -196.34221 7.99234 2.60540 -195.27533 794.66957
2845.0000 -203.49052 -195.15917 8.33135 2.56063 -196.12725 750.03674
2850.0000 -203.53563 -195.08679 8.44884 2.65331 -194.36365 836.94173
2855.0000 -204.64951 -196.92286 7.72665 2.56145 -196.11165 773.26052
2860.0000 -203.06288 -194.76968 8.29319 2.58171 -195.72613 805.58600
2865.0000 -205.08658 -196.45122 8.63536 2.57714 -195.81304 803.95761
2870.0000 -204.82630 -196.54423 8.28207 2.57683 -195.81892 778.18465
2875.0000 -206.13312 -198.39194 7.74118 2.49623 -197.35265 719.64106
2880.0000 -205.33432 -198.27074 7.06358 2.46543 -197.93865 717.39050
2885.0000 -205.70342 -197.88658 7.81684 2.48836 -197.50231 743.83515
2890.0000 -205.11338 -196.41988 8.69350 2.52902 -196.72869 754.07621
2895.0000 -204.52345 -196.63375 7.88970 2.53358 -196.64192 769.40379
2900.0000 -205.81347 -197.21407 8.59939 2.50655 -197.15623 728.29583
2905.0000 -204.29849 -196.70665 7.59184 2.47743 -197.71029 707.52293
2910.0000 -204.62277 -196.84479 7.77797 2.52136 -196.87435 730.20750
2915.0000 -206.42548 -197.70322 8.72226 2.48627 -197.54219 728.50386
2920.0000 -204.85904 -196.25142 8.60762 2.54996 -196.33026 769.45882
2925.0000 -205.82746 -197.17796 8.64950 2.50295 -197.22477 735.99693
2930.0000 -205.89288 -197.52987 8.36301 2.49234 -197.42668 754.41032
2935.0000 -205.17770 -195.44591 9.73179 2.52820 -196.74423 753.88206
2940.0000 -204.53288 -196.86777 7.66511 2.53120 -196.68727 740.31484
2945.0000 -204.73471 -195.52776 9.20695 2.56486 -196.04672 772.43375
2950.0000 -205.00539 -195.95115 9.05424 2.57030 -195.94327 793.83821
2955.0000 -205.33006 -196.61390 8.71616 2.55392 -196.25484 766.76472
2960.0000 -205.23592 -196.50177 8.73414 2.53878 -196.54297 764.79745
2965.0000 -205.98463 -197.87826 8.10637 2.53477 -196.61919 757.50913
2970.0000 -204.82283 -197.43585 7.38698 2.52322 -196.83909 743.88936
2975.0000 -206.06142 -198.54734 7.51408 2.47115 -197.82987 723.54068
2980.0000 -207.90962 -199.69064 8.21898 2.37685 -199.62415 667.64984
2985.0000 -205.34434 -198.29358 7.05076 2.41558 -198.88711 668.70110
2990.0000 -205.92866 -198.89185 7.03681 2.41618 -198.87578 679.98930
2995.0000 -204.86396 -197.23118 7.63278 2.46905 -197.86975 712.46714
3000.0000 -205.95858 -197.61400 8.34458 2.54506 -196.42354 761.03407
FREEZING PROCESS: loop number 13 T-loop= 743.00000000000000
main_MD> interactions number 13 at Temperature= 743.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.49397 0.36187 2.56184
force_rgl> df(natom) 3.31319 0.13842 2.04771
3005.0000 -206.21707 -198.10789 8.10918 2.46706 -197.90756 737.63622
3010.0000 -206.47825 -197.17667 9.30159 2.52075 -196.88609 773.02729
3015.0000 -204.80682 -196.91773 7.88909 2.51780 -196.94208 767.10846
3020.0000 -203.52099 -195.76521 7.75578 2.53543 -196.60665 747.93583
3025.0000 -206.38734 -198.38767 7.99967 2.53184 -196.67505 760.92285
3030.0000 -206.56575 -198.77857 7.78718 2.44566 -198.31487 698.79540
3035.0000 -206.05509 -198.75566 7.29943 2.43335 -198.54913 698.35482
3040.0000 -207.07356 -199.75737 7.31618 2.41205 -198.95428 674.30391
3045.0000 -205.70980 -197.87760 7.83220 2.44890 -198.25321 705.79266
3050.0000 -206.08602 -198.87719 7.20883 2.45402 -198.15566 694.64080
3055.0000 -204.43783 -196.86324 7.57460 2.45377 -198.16051 713.89560
3060.0000 -205.13154 -198.31014 6.82139 2.46828 -197.88442 710.39045
3065.0000 -205.50804 -196.68210 8.82595 2.47832 -197.69342 753.53343
3070.0000 -204.92392 -196.75114 8.17279 2.57221 -195.90688 815.91366
3075.0000 -204.92617 -196.57551 8.35066 2.50974 -197.09558 750.89934
3080.0000 -204.75258 -196.05829 8.69429 2.52782 -196.75155 745.95719
3085.0000 -205.19956 -197.30142 7.89814 2.53932 -196.53271 767.51390
3090.0000 -204.07686 -195.34983 8.72704 2.51814 -196.93564 757.68968
3095.0000 -203.74647 -195.88390 7.86257 2.54444 -196.43533 742.02189
3100.0000 -205.34949 -198.44125 6.90824 2.53654 -196.58558 764.40751
3105.0000 -204.89238 -196.90422 7.98815 2.46451 -197.95614 715.79873
3110.0000 -203.97621 -195.55897 8.41724 2.59839 -195.40872 786.43832
3115.0000 -206.33706 -196.65714 9.67992 2.58468 -195.66954 798.21277
3120.0000 -204.64106 -197.08784 7.55322 2.49445 -197.38646 718.19453
3125.0000 -206.10329 -197.32666 8.77663 2.46788 -197.89198 732.88690
3130.0000 -205.33454 -197.65363 7.68090 2.51356 -197.02281 758.63111
3135.0000 -205.27518 -196.43885 8.83633 2.49236 -197.42615 742.36047
3140.0000 -203.45131 -194.60174 8.84957 2.59567 -195.46056 777.82200
3145.0000 -203.62082 -194.53438 9.08645 2.62261 -194.94787 800.28023
3150.0000 -204.24866 -196.79865 7.45000 2.57949 -195.76838 778.62183
3155.0000 -204.37676 -196.58161 7.79515 2.54635 -196.39899 760.86203
3160.0000 -204.63255 -195.24192 9.39063 2.57126 -195.92496 775.56406
3165.0000 -203.35133 -194.57525 8.77607 2.64983 -194.42991 851.98464
3170.0000 -204.08253 -195.23857 8.84396 2.63707 -194.67273 821.90847
3175.0000 -205.05982 -197.09079 7.96903 2.53925 -196.53398 763.04028
3180.0000 -206.27473 -198.37061 7.90412 2.47881 -197.68414 729.75907
3185.0000 -203.93390 -195.89959 8.03431 2.52019 -196.89661 745.96810
3190.0000 -203.44979 -195.56782 7.88197 2.59227 -195.52514 784.05072
3195.0000 -202.80195 -194.58935 8.21260 2.60769 -195.23179 797.95341
3200.0000 -204.61524 -196.30754 8.30770 2.59020 -195.56463 781.26245
3205.0000 -205.34195 -197.04055 8.30141 2.54481 -196.42829 739.95916
3210.0000 -204.23046 -196.45441 7.77605 2.53264 -196.65974 777.78334
3215.0000 -204.67332 -196.76786 7.90546 2.54188 -196.48402 794.04854
3220.0000 -206.10634 -199.60512 6.50122 2.46115 -198.02011 732.18239
3225.0000 -206.59164 -200.23613 6.35551 2.37430 -199.67254 675.05322
3230.0000 -205.99047 -198.45583 7.53464 2.43135 -198.58707 709.18217
3235.0000 -206.31593 -197.71148 8.60446 2.44834 -198.26381 705.31493
3240.0000 -205.94219 -197.53708 8.40511 2.48296 -197.60510 727.48733
3245.0000 -205.74325 -199.44086 6.30239 2.47690 -197.72035 729.05104
3250.0000 -205.87394 -198.01523 7.85871 2.40436 -199.10067 704.04051
FREEZING PROCESS: loop number 14 T-loop= 718.00000000000000
main_MD> interactions number 14 at Temperature= 718.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44830 -5.09545 -2.39033
force_rgl> df(natom) 1.56476 -1.20322 -1.87842
3255.0000 -206.52664 -197.88469 8.64195 2.45112 -198.21088 722.34403
3260.0000 -204.55177 -196.81098 7.74080 2.42509 -198.70624 706.60714
3265.0000 -205.30135 -198.13743 7.16392 2.50580 -197.17056 743.66687
3270.0000 -204.42804 -197.21895 7.20909 2.47387 -197.77806 727.72228
3275.0000 -204.84231 -198.16062 6.68169 2.50758 -197.13662 741.06665
3280.0000 -206.28891 -199.03166 7.25726 2.46050 -198.03236 701.67688
3285.0000 -206.67885 -199.42567 7.25317 2.40012 -199.18143 688.92488
3290.0000 -205.38306 -198.24518 7.13788 2.40761 -199.03878 678.39759
3295.0000 -205.45860 -197.95960 7.49900 2.44599 -198.30857 716.81768
3300.0000 -204.86513 -196.50066 8.36447 2.48522 -197.56206 728.27445
3305.0000 -203.58686 -195.55030 8.03656 2.57671 -195.82125 800.62220
3310.0000 -206.41610 -197.81053 8.60558 2.55583 -196.21859 793.82295
3315.0000 -206.45796 -198.63262 7.82534 2.43567 -198.50488 677.61088
3320.0000 -205.14705 -196.85613 8.29092 2.45246 -198.18540 689.66310
3325.0000 -205.32343 -198.29216 7.03128 2.48432 -197.57918 713.08130
3330.0000 -203.96250 -196.57367 7.38883 2.48835 -197.50250 725.35269
3335.0000 -206.31629 -198.88779 7.42850 2.46750 -197.89922 719.53048
3340.0000 -205.70486 -197.83255 7.87231 2.42562 -198.69613 693.04969
3345.0000 -205.46984 -197.61976 7.85008 2.51383 -197.01765 718.35062
3350.0000 -204.98276 -197.72003 7.26273 2.53147 -196.68213 765.96995
3355.0000 -204.37082 -196.48951 7.88131 2.52658 -196.77512 743.19788
3360.0000 -204.83239 -196.99343 7.83897 2.52552 -196.79517 724.48415
3365.0000 -206.19717 -198.57216 7.62502 2.51703 -196.95673 758.37791
3370.0000 -206.90709 -198.99217 7.91492 2.40145 -199.15601 695.97957
3375.0000 -206.21015 -198.86093 7.34923 2.41664 -198.86690 680.41485
3380.0000 -205.46256 -198.00835 7.45421 2.42782 -198.65429 691.81155
3385.0000 -206.42300 -199.03920 7.38379 2.42531 -198.70199 682.45599
3390.0000 -206.81248 -200.27330 6.53918 2.38811 -199.40977 668.69274
3395.0000 -206.89075 -199.26261 7.62814 2.34291 -200.26999 628.97816
3400.0000 -206.37362 -198.46261 7.91100 2.41031 -198.98741 709.97720
3405.0000 -205.18743 -198.25206 6.93537 2.42559 -198.69665 675.68972
3410.0000 -206.16171 -199.24805 6.91366 2.41770 -198.84690 680.60794
3415.0000 -206.47260 -199.39733 7.07527 2.40050 -199.17413 673.96656
3420.0000 -204.81926 -197.34379 7.47547 2.44228 -198.37906 697.58650
3425.0000 -205.45806 -198.47335 6.98471 2.48228 -197.61800 724.90914
3430.0000 -205.96383 -198.41178 7.55205 2.40228 -199.14020 667.97478
3435.0000 -204.73003 -197.11966 7.61037 2.43590 -198.50046 682.52141
3440.0000 -205.63909 -197.06384 8.57525 2.49555 -197.36558 720.79929
3445.0000 -204.78402 -196.24414 8.53988 2.47147 -197.82377 720.41283
3450.0000 -205.28279 -197.49510 7.78769 2.57302 -195.89150 775.29489
3455.0000 -206.91894 -197.75163 9.16731 2.48346 -197.59559 729.07991
3460.0000 -204.20591 -195.65065 8.55526 2.52793 -196.74947 763.40404
3465.0000 -204.97626 -196.93707 8.03919 2.54364 -196.45056 750.26951
3470.0000 -204.77583 -197.07908 7.69675 2.49914 -197.29723 733.08201
3475.0000 -205.01946 -196.24083 8.77863 2.55767 -196.18356 764.39627
3480.0000 -204.73609 -196.28134 8.45475 2.52358 -196.83222 766.58273
3485.0000 -204.39388 -196.27720 8.11667 2.54634 -196.39902 761.41052
3490.0000 -204.92338 -196.98845 7.93493 2.51812 -196.93614 749.86221
3495.0000 -205.16062 -197.91407 7.24655 2.49240 -197.42549 745.22548
3500.0000 -203.88532 -197.05334 6.83197 2.49833 -197.31258 734.63383
FREEZING PROCESS: loop number 15 T-loop= 693.00000000000000
main_MD> interactions number 15 at Temperature= 693.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.80996 -2.57463 1.46386
force_rgl> df(natom) -2.48150 0.02908 1.55524
3505.0000 -205.94542 -198.49162 7.45380 2.47907 -197.67909 726.74562
3510.0000 -205.12743 -197.67301 7.45442 2.46452 -197.95601 715.08092
3515.0000 -205.17428 -197.15884 8.01543 2.49882 -197.30335 730.41398
3520.0000 -205.64799 -198.36571 7.28228 2.45780 -198.08379 709.26683
3525.0000 -206.33822 -199.86685 6.47138 2.39904 -199.20186 664.76754
3530.0000 -207.48535 -199.43390 8.05145 2.38377 -199.49235 678.48728
3535.0000 -207.86745 -200.84787 7.01959 2.33261 -200.46591 661.21882
3540.0000 -206.14096 -199.31420 6.82676 2.33741 -200.37450 651.05442
3545.0000 -205.63053 -197.43873 8.19180 2.42309 -198.74433 701.59898
3550.0000 -205.71224 -197.50295 8.20929 2.47744 -197.71010 724.15735
3555.0000 -205.71018 -198.75044 6.95974 2.42527 -198.70269 691.46102
3560.0000 -206.62197 -199.34736 7.27461 2.41068 -198.98031 680.43798
3565.0000 -206.61350 -198.87531 7.73819 2.42371 -198.73242 682.73772
3570.0000 -206.17747 -197.81348 8.36399 2.42513 -198.70548 709.21507
3575.0000 -204.74895 -197.39623 7.35272 2.48550 -197.55675 732.67571
3580.0000 -205.20451 -197.56432 7.64019 2.46923 -197.86637 727.03356
3585.0000 -206.80279 -198.96430 7.83849 2.44791 -198.27198 713.44949
3590.0000 -205.62838 -198.92868 6.69970 2.42351 -198.73627 679.24965
3595.0000 -206.36397 -198.35821 8.00576 2.40881 -199.01597 685.17182
3600.0000 -206.77435 -199.25319 7.52116 2.45979 -198.04588 729.92381
3605.0000 -207.07087 -199.50636 7.56451 2.39540 -199.27123 688.66284
3610.0000 -205.85944 -198.75154 7.10790 2.38724 -199.42632 668.43088
3615.0000 -204.14215 -197.34702 6.79512 2.45252 -198.18428 707.28622
3620.0000 -206.58102 -198.02825 8.55277 2.49452 -197.38508 747.39366
3625.0000 -206.63072 -198.61178 8.01894 2.46568 -197.93395 721.02227
3630.0000 -207.56587 -200.52380 7.04207 2.37721 -199.61729 658.39928
3635.0000 -206.56291 -199.33071 7.23219 2.34429 -200.24360 632.99425
3640.0000 -206.20548 -198.78453 7.42095 2.39870 -199.20834 687.58228
3645.0000 -205.69838 -198.53907 7.15931 2.38041 -199.55638 660.00365
3650.0000 -206.69834 -198.86885 7.82950 2.41908 -198.82056 689.73224
3655.0000 -206.07237 -199.26623 6.80614 2.43719 -198.47604 697.68011
3660.0000 -205.34813 -199.04939 6.29874 2.36146 -199.91691 651.26686
3665.0000 -206.47588 -200.02248 6.45340 2.37809 -199.60047 662.90232
3670.0000 -205.66982 -198.44863 7.22119 2.38859 -199.40075 655.39077
3675.0000 -204.59705 -197.87442 6.72263 2.44928 -198.24585 718.69148
3680.0000 -206.55503 -198.92477 7.63026 2.43441 -198.52886 703.21298
3685.0000 -207.22184 -200.62384 6.59799 2.35248 -200.08790 638.54329
3690.0000 -206.93104 -199.83216 7.09888 2.37021 -199.75037 662.73136
3695.0000 -206.31364 -198.97241 7.34124 2.39207 -199.33450 676.79730
3700.0000 -206.30308 -199.14546 7.15762 2.41037 -198.98623 697.73930
3705.0000 -205.71252 -199.33438 6.37813 2.41542 -198.89012 679.67543
3710.0000 -206.40387 -199.38248 7.02138 2.39381 -199.30146 664.03153
3715.0000 -206.90661 -199.54509 7.36152 2.36301 -199.88752 640.37284
3720.0000 -205.63474 -198.18008 7.45466 2.41217 -198.95205 666.25070
3725.0000 -204.80966 -196.21962 8.59004 2.46790 -197.89162 717.94459
3730.0000 -206.30145 -197.65063 8.65081 2.50894 -197.11079 767.36846
3735.0000 -206.98055 -199.45559 7.52496 2.48477 -197.57061 733.29298
3740.0000 -207.38499 -199.25460 8.13039 2.39328 -199.31142 672.92696
3745.0000 -205.29205 -198.13797 7.15408 2.43588 -198.50092 692.67215
3750.0000 -205.02527 -196.02475 9.00051 2.48484 -197.56940 715.01709
FREEZING PROCESS: loop number 16 T-loop= 668.00000000000000
main_MD> interactions number 16 at Temperature= 668.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.73811 4.84231 10.58124
force_rgl> df(natom) -1.63432 1.25813 1.09322
3755.0000 -207.20835 -198.93006 8.27829 2.49667 -197.34414 726.41087
3760.0000 -207.82549 -200.25542 7.57007 2.39750 -199.23123 679.81609
3765.0000 -207.32971 -200.89770 6.43201 2.33622 -200.39725 653.21825
3770.0000 -207.31949 -200.21916 7.10033 2.32818 -200.55012 614.62136
3775.0000 -205.82848 -198.64571 7.18277 2.35771 -199.98823 649.94215
3780.0000 -206.12527 -198.87816 7.24711 2.42492 -198.70947 688.82248
3785.0000 -204.99107 -197.78164 7.20943 2.43628 -198.49336 719.58983
3790.0000 -205.84388 -198.31015 7.53373 2.47954 -197.67006 696.48287
3795.0000 -207.17939 -198.52317 8.65622 2.42357 -198.73509 691.06060
3800.0000 -207.08254 -199.47008 7.61247 2.41631 -198.87321 699.15491
3805.0000 -206.64902 -199.01476 7.63426 2.39516 -199.27563 686.58720
3810.0000 -205.63663 -198.24640 7.39024 2.40538 -199.08126 674.30653
3815.0000 -206.18604 -199.52977 6.65626 2.44597 -198.30900 686.01020
3820.0000 -206.59588 -199.43691 7.15897 2.41592 -198.88079 679.27242
3825.0000 -205.67200 -198.08085 7.59115 2.41374 -198.92209 671.24195
3830.0000 -204.95439 -197.08711 7.86729 2.50307 -197.22248 726.94825
3835.0000 -204.70347 -196.83870 7.86477 2.54776 -196.37215 785.15084
3840.0000 -206.19640 -198.88633 7.31007 2.42887 -198.63424 667.10368
3845.0000 -207.23553 -198.97319 8.26235 2.41127 -198.96927 672.90487
3850.0000 -205.22862 -196.82077 8.40785 2.50470 -197.19139 726.44132
3855.0000 -205.92047 -198.61376 7.30671 2.46435 -197.95921 698.87851
3860.0000 -206.21125 -199.58728 6.62397 2.40141 -199.15676 676.39562
3865.0000 -206.02627 -198.88289 7.14339 2.41547 -198.88928 676.89577
3870.0000 -207.69068 -200.78748 6.90320 2.35161 -200.10434 633.23055
3875.0000 -207.00334 -200.35951 6.64383 2.33166 -200.48388 619.02642
3880.0000 -206.03231 -199.47547 6.55684 2.34105 -200.30533 612.42548
3885.0000 -206.56394 -199.32246 7.24148 2.38106 -199.54405 669.83897
3890.0000 -206.78656 -198.36006 8.42650 2.43037 -198.60571 697.28058
3895.0000 -205.33517 -198.19675 7.13843 2.42432 -198.72084 689.87010
3900.0000 -206.59805 -199.79195 6.80610 2.42928 -198.62643 717.34013
3905.0000 -206.74285 -198.90539 7.83745 2.39437 -199.29069 677.35195
3910.0000 -205.94410 -199.20866 6.73544 2.38958 -199.38191 649.12218
3915.0000 -206.76333 -199.89408 6.86924 2.39983 -199.18682 670.77682
3920.0000 -206.01886 -199.65623 6.36263 2.35605 -200.01988 636.75542
3925.0000 -206.06938 -199.32157 6.74781 2.41365 -198.92390 688.27439
3930.0000 -206.33246 -199.40857 6.92389 2.38287 -199.50951 639.17456
3935.0000 -207.72968 -201.16135 6.56833 2.32788 -200.55594 614.86609
3940.0000 -206.15293 -199.25020 6.90272 2.33448 -200.43033 627.71677
3945.0000 -206.79803 -198.94239 7.85563 2.36645 -199.82208 663.04051
3950.0000 -206.77560 -200.04919 6.72641 2.37557 -199.64845 648.80385
3955.0000 -207.43639 -200.21772 7.21868 2.35641 -200.01303 629.08369
3960.0000 -207.33543 -200.32129 7.01415 2.38153 -199.53498 645.48479
3965.0000 -206.43229 -198.69741 7.73488 2.38704 -199.43023 653.24166
3970.0000 -206.42119 -200.29093 6.13026 2.40161 -199.15304 677.22714
3975.0000 -208.20464 -201.81919 6.38545 2.32338 -200.64145 622.28845
3980.0000 -207.68514 -201.01564 6.66950 2.27773 -201.51017 586.17417
3985.0000 -207.82865 -201.15895 6.66970 2.32721 -200.56872 626.77531
3990.0000 -206.20212 -199.52609 6.67603 2.32805 -200.55268 636.35968
3995.0000 -207.08668 -200.56303 6.52365 2.36859 -199.78134 664.40830
4000.0000 -206.42423 -200.44699 5.97724 2.33555 -200.40999 632.18452
FREEZING PROCESS: loop number 17 T-loop= 643.00000000000000
main_MD> interactions number 17 at Temperature= 643.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01966 -0.88805 -1.26391
force_rgl> df(natom) -1.42147 -1.38168 -0.71451
4005.0000 -207.03138 -199.12639 7.90499 2.38695 -199.43193 666.20005
4010.0000 -207.43328 -200.05042 7.38286 2.38638 -199.44271 672.68856
4015.0000 -206.94818 -200.27557 6.67261 2.34184 -200.29033 636.70197
4020.0000 -206.82789 -199.45803 7.36986 2.36577 -199.83502 655.95149
4025.0000 -207.39492 -200.66265 6.73227 2.36469 -199.85554 637.23284
4030.0000 -207.66496 -201.03714 6.62782 2.31835 -200.73717 606.31963
4035.0000 -207.16376 -200.64137 6.52239 2.28672 -201.33916 596.59152
4040.0000 -207.67405 -201.19645 6.47760 2.30644 -200.96393 610.40211
4045.0000 -208.16015 -202.23739 5.92276 2.27303 -201.59963 596.09419
4050.0000 -210.12135 -203.48089 6.64046 2.21323 -202.73738 556.66796
4055.0000 -209.67826 -201.22561 8.45265 2.23092 -202.40073 588.21908
4060.0000 -209.47375 -202.50567 6.96808 2.30611 -200.97012 627.02907
4065.0000 -207.87935 -201.48587 6.39347 2.24205 -202.18901 569.86723
4070.0000 -207.95573 -202.13342 5.82231 2.26285 -201.79328 564.01577
4075.0000 -207.91459 -202.29315 5.62145 2.24533 -202.12666 558.13426
4080.0000 -207.14215 -200.11539 7.02677 2.29430 -201.19474 600.81486
4085.0000 -207.06763 -200.36043 6.70720 2.33260 -200.46606 615.75026
4090.0000 -207.37711 -200.56957 6.80754 2.36160 -199.91430 645.76880
4095.0000 -207.20657 -201.02999 6.17657 2.29854 -201.11411 604.11176
4100.0000 -206.96263 -200.44318 6.51945 2.33166 -200.48402 633.66593
4105.0000 -208.36470 -201.82778 6.53692 2.31360 -200.82765 612.05945
4110.0000 -207.68157 -201.44264 6.23893 2.25189 -202.00189 584.23432
4115.0000 -207.64962 -201.80394 5.84569 2.26409 -201.76969 583.57154
4120.0000 -207.16494 -200.35492 6.81001 2.27976 -201.47142 601.45146
4125.0000 -206.43172 -197.79516 8.63656 2.37794 -199.60340 684.80576
4130.0000 -205.85922 -198.83037 7.02885 2.40616 -199.06634 691.32355
4135.0000 -205.81075 -198.62718 7.18357 2.41543 -198.89011 674.20582
4140.0000 -206.44375 -199.48866 6.95509 2.41633 -198.87286 679.81851
4145.0000 -206.53628 -200.52082 6.01546 2.34455 -200.23877 637.13519
4150.0000 -208.35882 -201.50395 6.85488 2.31593 -200.78324 599.86377
4155.0000 -207.60455 -200.62682 6.97774 2.32178 -200.67186 645.29520
4160.0000 -207.47190 -201.17255 6.29935 2.32268 -200.65485 640.34187
4165.0000 -208.66997 -201.55214 7.11783 2.28848 -201.30560 604.94326
4170.0000 -206.97412 -200.48149 6.49263 2.33272 -200.46373 654.16961
4175.0000 -208.41128 -201.27068 7.14060 2.33415 -200.43653 624.38625
4180.0000 -207.39043 -201.36624 6.02419 2.27794 -201.50619 590.41389
4185.0000 -207.86546 -201.30336 6.56210 2.30533 -200.98492 600.49961
4190.0000 -207.85186 -201.76322 6.08864 2.32778 -200.55781 633.31667
4195.0000 -207.19030 -200.65113 6.53916 2.31436 -200.81311 614.96666
4200.0000 -206.76010 -199.95310 6.80700 2.33790 -200.36525 629.29464
4205.0000 -206.16893 -198.76367 7.40526 2.37930 -199.57751 654.99167
4210.0000 -205.76064 -198.59199 7.16866 2.38164 -199.53295 653.83691
4215.0000 -207.34481 -200.76098 6.58383 2.38781 -199.41551 687.48348
4220.0000 -205.62323 -199.84060 5.78263 2.32283 -200.65204 644.01796
4225.0000 -206.84489 -199.39409 7.45079 2.38179 -199.53018 661.69228
4230.0000 -206.36342 -199.22656 7.13686 2.38269 -199.51294 679.07674
4235.0000 -206.97454 -200.45292 6.52162 2.33783 -200.36652 621.64526
4240.0000 -206.76611 -199.65537 7.11074 2.34528 -200.22479 637.79857
4245.0000 -208.42849 -200.50747 7.92102 2.33065 -200.50311 636.22129
4250.0000 -207.58665 -199.66079 7.92587 2.35246 -200.08811 636.19419
FREEZING PROCESS: loop number 18 T-loop= 618.00000000000000
main_MD> interactions number 18 at Temperature= 618.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.71760 1.91811 3.71825
force_rgl> df(natom) -1.93764 0.21050 0.61220
4255.0000 -207.31474 -201.04726 6.26748 2.33771 -200.36876 650.02038
4260.0000 -207.82513 -201.03432 6.79081 2.30180 -201.05212 623.80346
4265.0000 -207.30554 -200.64792 6.65762 2.32047 -200.69690 625.41462
4270.0000 -206.78002 -200.54127 6.23875 2.28728 -201.32837 587.60069
4275.0000 -207.37737 -200.81504 6.56233 2.32004 -200.70511 609.30356
4280.0000 -206.68899 -201.08919 5.59980 2.32070 -200.69253 618.45957
4285.0000 -207.43831 -200.63111 6.80721 2.32344 -200.64040 627.05256
4290.0000 -205.59588 -199.25406 6.34182 2.37656 -199.62963 641.31323
4295.0000 -206.98996 -199.50640 7.48356 2.37324 -199.69278 638.87579
4300.0000 -209.70806 -202.18613 7.52193 2.28884 -201.29871 610.43961
4305.0000 -208.77015 -201.42477 7.34538 2.24489 -202.13494 597.16075
4310.0000 -206.51162 -199.47541 7.03621 2.33956 -200.33367 628.85611
4315.0000 -205.87498 -199.16226 6.71272 2.40047 -199.17466 664.01753
4320.0000 -206.48821 -199.25228 7.23592 2.36495 -199.85047 651.27059
4325.0000 -206.51795 -200.04151 6.47643 2.38327 -199.50189 650.97638
4330.0000 -207.26381 -199.62006 7.64375 2.36143 -199.91748 636.84631
4335.0000 -206.80515 -198.82535 7.97980 2.35695 -200.00277 639.38535
4340.0000 -207.73942 -200.84318 6.89624 2.34693 -200.19346 660.77567
4345.0000 -208.62982 -201.57403 7.05578 2.29354 -201.20926 620.40117
4350.0000 -209.74416 -203.55608 6.18808 2.22258 -202.55949 558.55283
4355.0000 -209.16167 -203.69084 5.47083 2.18441 -203.28578 561.95819
4360.0000 -208.83056 -202.91027 5.92029 2.19803 -203.02672 563.59655
4365.0000 -208.62908 -201.73807 6.89101 2.27779 -201.50893 621.45602
4370.0000 -207.67838 -201.83714 5.84124 2.28566 -201.35929 609.40019
4375.0000 -207.62109 -200.54847 7.07261 2.29512 -201.17917 588.79741
4380.0000 -208.02995 -201.32736 6.70259 2.32646 -200.58293 647.72568
4385.0000 -206.08374 -198.84310 7.24064 2.33785 -200.36615 634.96732
4390.0000 -207.23718 -201.36666 5.87052 2.35840 -199.97508 612.05939
4395.0000 -207.05687 -199.66064 7.39623 2.34088 -200.30851 648.76088
4400.0000 -207.10343 -200.03665 7.06678 2.33611 -200.39920 661.69880
4405.0000 -207.84226 -201.30557 6.53669 2.30789 -200.93633 637.85373
4410.0000 -207.28531 -201.23373 6.05158 2.27570 -201.54879 586.44005
4415.0000 -207.46688 -201.63218 5.83470 2.29768 -201.13046 610.58577
4420.0000 -206.74091 -199.75368 6.98724 2.30545 -200.98266 607.17326
4425.0000 -207.43396 -200.10322 7.33074 2.35502 -200.03943 663.87418
4430.0000 -207.62146 -200.52067 7.10079 2.34070 -200.31195 651.88491
4435.0000 -208.09707 -201.50576 6.59131 2.29918 -201.10205 615.74406
4440.0000 -207.80649 -201.67448 6.13202 2.29354 -201.20938 641.04661
4445.0000 -208.12272 -201.95852 6.16421 2.25386 -201.96426 595.65117
4450.0000 -206.62007 -200.27386 6.34621 2.29869 -201.11129 618.70212
4455.0000 -208.12336 -201.25206 6.87130 2.31290 -200.84095 618.48051
4460.0000 -207.10793 -201.13772 5.97020 2.32141 -200.67893 625.53617
4465.0000 -207.80113 -200.33238 7.46875 2.31781 -200.74742 622.71077
4470.0000 -208.07269 -201.74621 6.32648 2.31674 -200.76786 617.17500
4475.0000 -208.19623 -200.99208 7.20415 2.31114 -200.87439 598.22893
4480.0000 -208.42696 -201.59224 6.83472 2.30341 -201.02157 595.78760
4485.0000 -209.25651 -204.11677 5.13974 2.24737 -202.08789 572.76675
4490.0000 -208.48941 -201.65811 6.83130 2.21103 -202.77932 549.31591
4495.0000 -208.61886 -201.67597 6.94290 2.25409 -201.95986 583.60760
4500.0000 -208.23680 -200.93583 7.30097 2.26801 -201.69503 592.68572
FREEZING PROCESS: loop number 19 T-loop= 593.00000000000000
main_MD> interactions number 19 at Temperature= 593.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.70238 -1.09445 0.66469
force_rgl> df(natom) 1.05869 1.98021 -2.96962
4505.0000 -206.73854 -199.93206 6.80649 2.31195 -200.85902 628.20664
4510.0000 -208.58567 -201.63277 6.95290 2.28643 -201.34451 607.87929
4515.0000 -207.90494 -202.21851 5.68643 2.26399 -201.77158 592.14437
4520.0000 -208.58620 -202.32661 6.25959 2.21886 -202.63034 550.58872
4525.0000 -207.82382 -201.88629 5.93753 2.23501 -202.32296 568.69254
4530.0000 -207.25839 -200.09226 7.16613 2.30475 -200.99592 611.92631
4535.0000 -206.75241 -200.80955 5.94286 2.35815 -199.97987 638.46320
4540.0000 -207.65969 -201.63077 6.02892 2.30733 -200.94697 603.13074
4545.0000 -208.40626 -202.67407 5.73219 2.23965 -202.23472 569.23751
4550.0000 -208.46194 -202.48148 5.98045 2.22812 -202.45399 578.50811
4555.0000 -208.59938 -202.62518 5.97420 2.23857 -202.25516 571.68096
4560.0000 -208.12794 -202.84961 5.27834 2.22986 -202.42106 590.93072
4565.0000 -208.00120 -201.33960 6.66160 2.24738 -202.08762 601.01212
4570.0000 -209.06118 -202.20472 6.85646 2.25610 -201.92175 604.28011
4575.0000 -208.57512 -202.53514 6.03998 2.23957 -202.23616 585.09601
4580.0000 -207.97963 -201.57807 6.40156 2.21698 -202.66604 571.10662
4585.0000 -207.81606 -202.47689 5.33916 2.27482 -201.56551 590.02422
4590.0000 -207.35586 -201.47088 5.88498 2.22797 -202.45685 561.14866
4595.0000 -207.01504 -199.85786 7.15718 2.34114 -200.30350 621.06723
4600.0000 -207.51700 -200.77560 6.74140 2.35684 -200.00490 627.60300
4605.0000 -207.02690 -201.55700 5.46990 2.29875 -201.11008 611.50099
4610.0000 -207.21456 -200.66469 6.54987 2.29763 -201.13142 593.80004
4615.0000 -207.47346 -200.08271 7.39074 2.36162 -199.91390 626.12876
4620.0000 -206.24400 -199.97803 6.26597 2.37767 -199.60841 652.75387
4625.0000 -208.34932 -200.46325 7.88607 2.35340 -200.07035 634.74691
4630.0000 -207.24850 -201.46695 5.78155 2.30611 -200.97018 624.72230
4635.0000 -209.34095 -202.42080 6.92015 2.26557 -201.74147 588.92022
4640.0000 -207.73710 -201.17787 6.55923 2.26334 -201.78391 601.17785
4645.0000 -209.66473 -203.44119 6.22354 2.25501 -201.94243 575.82676
4650.0000 -209.86211 -203.90428 5.95783 2.17706 -203.42561 537.75204
4655.0000 -208.49530 -203.01254 5.48276 2.19429 -203.09770 555.90156
4660.0000 -207.86786 -201.78323 6.08463 2.23266 -202.36764 586.23982
4665.0000 -207.91057 -201.88933 6.02123 2.28064 -201.45477 602.89064
4670.0000 -207.23233 -200.01905 7.21327 2.30848 -200.92511 633.15651
4675.0000 -208.70025 -202.07323 6.62702 2.31846 -200.73506 620.18035
4680.0000 -207.09245 -200.70558 6.38687 2.30820 -200.93041 610.68468
4685.0000 -206.57648 -199.90945 6.66703 2.35837 -199.97578 643.86258
4690.0000 -208.40873 -201.59777 6.81096 2.33747 -200.37349 635.69057
4695.0000 -208.92357 -202.46521 6.45837 2.24204 -202.18913 579.33136
4700.0000 -208.93439 -202.33387 6.60052 2.23641 -202.29640 572.92554
4705.0000 -209.12265 -202.47714 6.64551 2.25928 -201.86116 609.97933
4710.0000 -207.96211 -201.61463 6.34748 2.25522 -201.93846 601.47230
4715.0000 -208.43573 -202.12896 6.30677 2.25805 -201.88451 585.28428
4720.0000 -207.25889 -201.56359 5.69530 2.26824 -201.69065 583.45621
4725.0000 -207.68498 -201.72094 5.96404 2.29285 -201.22246 595.77604
4730.0000 -208.74117 -201.46806 7.27311 2.25897 -201.86704 592.73415
4735.0000 -208.98631 -202.69733 6.28899 2.26289 -201.79246 596.55297
4740.0000 -207.94759 -202.43016 5.51743 2.24313 -202.16850 581.69941
4745.0000 -208.73625 -202.59654 6.13970 2.20112 -202.96780 561.51007
4750.0000 -208.71835 -202.41782 6.30053 2.22097 -202.59021 562.45067
FREEZING PROCESS: loop number 20 T-loop= 568.00000000000000
main_MD> interactions number 20 at Temperature= 568.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.03996 0.33325 -1.03921
force_rgl> df(natom) -1.72779 2.17648 0.79474
4755.0000 -207.40045 -200.82332 6.57713 2.28909 -201.29402 606.19349
4760.0000 -208.41581 -202.32902 6.08679 2.24431 -202.14596 576.64513
4765.0000 -209.19691 -202.77248 6.42443 2.21239 -202.75348 560.81678
4770.0000 -208.42590 -202.28032 6.14557 2.22740 -202.46786 579.37937
4775.0000 -210.17397 -204.65194 5.52203 2.17272 -203.50816 552.65725
4780.0000 -210.35137 -204.77630 5.57507 2.09969 -204.89779 524.29391
4785.0000 -210.38798 -204.21850 6.16948 2.12285 -204.45718 542.08042
4790.0000 -210.15908 -203.96767 6.19140 2.12413 -204.43283 545.37863
4795.0000 -209.37775 -203.56924 5.80851 2.16775 -203.60283 578.53186
4800.0000 -209.22197 -203.90081 5.32116 2.14988 -203.94284 532.20335
4805.0000 -208.52723 -202.41839 6.10884 2.17232 -203.51589 546.74365
4810.0000 -208.89287 -201.85190 7.04097 2.23212 -202.37798 577.21020
4815.0000 -209.97244 -203.80921 6.16322 2.21628 -202.67937 570.90648
4820.0000 -209.52395 -203.74562 5.77833 2.19138 -203.15307 538.57942
4825.0000 -208.60650 -202.88276 5.72374 2.16190 -203.71417 525.83677
4830.0000 -209.65003 -202.29620 7.35383 2.22393 -202.53384 569.65030
4835.0000 -209.40971 -203.12698 6.28273 2.23104 -202.39855 586.25612
4840.0000 -208.93493 -203.01396 5.92097 2.19774 -203.03224 564.15733
4845.0000 -208.27095 -201.80214 6.46882 2.21576 -202.68924 547.45190
4850.0000 -208.01191 -202.31951 5.69239 2.25115 -202.01596 581.86664
4855.0000 -209.31998 -202.56796 6.75203 2.25851 -201.87593 589.12187
4860.0000 -208.07103 -201.93647 6.13456 2.22863 -202.44431 574.55375
4865.0000 -208.51975 -202.06039 6.45936 2.26550 -201.74278 603.22092
4870.0000 -208.58428 -201.95754 6.62675 2.23303 -202.36065 590.70509
4875.0000 -208.44604 -202.37966 6.06639 2.22192 -202.57200 573.03258
4880.0000 -209.77768 -204.12461 5.65307 2.18180 -203.33536 564.77883
4885.0000 -209.62639 -203.83417 5.79222 2.16137 -203.72427 552.21243
4890.0000 -210.16821 -204.55202 5.61619 2.18459 -203.28234 572.09794
4895.0000 -209.65182 -204.49061 5.16121 2.16512 -203.65274 554.47971
4900.0000 -209.75891 -204.01757 5.74135 2.15860 -203.77687 537.94296
4905.0000 -210.58190 -205.04609 5.53581 2.11213 -204.66109 517.46285
4910.0000 -210.04783 -204.46756 5.58028 2.11917 -204.52712 532.24155
4915.0000 -208.37480 -202.16750 6.20730 2.15832 -203.78217 559.93325
4920.0000 -208.33108 -201.96775 6.36333 2.25081 -202.02232 599.10495
4925.0000 -209.37684 -203.25812 6.11872 2.23035 -202.41169 584.12440
4930.0000 -208.52185 -202.39841 6.12344 2.20714 -202.85327 576.97658
4935.0000 -209.18622 -202.80893 6.37729 2.21330 -202.73602 564.24145
4940.0000 -209.29338 -203.60169 5.69170 2.19380 -203.10711 567.92066
4945.0000 -210.36960 -204.57444 5.79516 2.12821 -204.35505 535.98949
4950.0000 -209.04796 -203.10354 5.94442 2.17491 -203.46654 580.46313
4955.0000 -209.31035 -204.06647 5.24387 2.16230 -203.70644 547.15766
4960.0000 -208.57592 -202.43852 6.13740 2.19751 -203.03655 557.72548
4965.0000 -208.53594 -202.29934 6.23659 2.22694 -202.47661 572.00655
4970.0000 -208.31747 -202.62706 5.69041 2.21871 -202.63310 549.52701
4975.0000 -208.32309 -201.99932 6.32378 2.22845 -202.44790 561.78918
4980.0000 -208.83523 -202.39636 6.43888 2.25757 -201.89366 578.79290
4985.0000 -210.02916 -203.13045 6.89870 2.21527 -202.69865 580.15475
4990.0000 -209.07826 -203.35019 5.72807 2.21693 -202.66697 577.26028
4995.0000 -209.53471 -202.77691 6.75779 2.19228 -203.13603 558.20795
5000.0000 -209.77816 -204.32098 5.45717 2.17869 -203.39458 550.17515
FREEZING PROCESS: loop number 21 T-loop= 543.00000000000000
main_MD> interactions number 21 at Temperature= 543.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12873 -1.97622 1.06317
force_rgl> df(natom) 1.19288 1.31616 0.30865
5005.0000 -209.11662 -202.44004 6.67659 2.18397 -203.29417 548.62713
5010.0000 -208.52587 -202.35781 6.16806 2.20505 -202.89297 570.13740
5015.0000 -209.28885 -203.61354 5.67531 2.19534 -203.07784 543.13639
5020.0000 -208.89852 -203.12101 5.77751 2.18403 -203.29306 537.94448
5025.0000 -210.18823 -204.00320 6.18503 2.18023 -203.36537 556.67210
5030.0000 -211.35677 -204.46114 6.89564 2.14970 -203.94633 530.26941
5035.0000 -209.51019 -203.95450 5.55569 2.14517 -204.03241 552.60679
5040.0000 -209.19676 -203.27225 5.92451 2.18530 -203.26876 574.08637
5045.0000 -210.78830 -204.66202 6.12628 2.12841 -204.35135 538.38073
5050.0000 -210.27881 -204.50410 5.77471 2.11634 -204.58103 536.60928
5055.0000 -209.41883 -204.06362 5.35521 2.13572 -204.21216 531.38431
5060.0000 -210.04905 -204.20396 5.84510 2.11496 -204.60717 516.63415
5065.0000 -209.64371 -204.00553 5.63818 2.13043 -204.31283 524.15726
5070.0000 -209.04927 -203.94285 5.10642 2.15974 -203.75521 548.34938
5075.0000 -210.49555 -205.31020 5.18535 2.12152 -204.48240 525.22733
5080.0000 -211.59749 -205.93088 5.66661 2.05665 -205.71667 490.29811
5085.0000 -210.62283 -203.97166 6.65117 2.09713 -204.94643 527.03575
5090.0000 -209.82201 -203.94338 5.87863 2.11980 -204.51509 528.22399
5095.0000 -210.24467 -204.44970 5.79497 2.14509 -204.03400 546.43689
5100.0000 -209.27264 -203.78801 5.48463 2.11857 -204.53865 497.58831
5105.0000 -210.04031 -203.79208 6.24823 2.16884 -203.58214 567.15951
5110.0000 -209.02431 -202.97969 6.04462 2.18887 -203.20101 560.32537
5115.0000 -209.63983 -203.07482 6.56500 2.22812 -202.45411 596.56465
5120.0000 -209.15051 -202.54254 6.60797 2.21333 -202.73542 561.30806
5125.0000 -208.98877 -203.37779 5.61099 2.16747 -203.60816 537.00708
5130.0000 -208.86170 -202.29956 6.56214 2.18297 -203.31312 550.28531
5135.0000 -208.09041 -201.22683 6.86357 2.23088 -202.40155 576.05038
5140.0000 -207.90225 -201.57749 6.32477 2.28638 -201.34559 607.30564
5145.0000 -208.94722 -202.51296 6.43426 2.25616 -201.92063 571.81458
5150.0000 -208.66588 -202.74874 5.91714 2.24342 -202.16300 584.39597
5155.0000 -208.11775 -202.02861 6.08914 2.24049 -202.21865 573.68909
5160.0000 -207.41315 -201.40328 6.00987 2.26297 -201.79089 600.99874
5165.0000 -209.42298 -203.10238 6.32060 2.24085 -202.21178 574.23848
5170.0000 -208.77925 -203.22770 5.55155 2.19491 -203.08603 539.80473
5175.0000 -209.24989 -203.29188 5.95801 2.20691 -202.85770 561.99228
5180.0000 -209.42325 -204.29783 5.12542 2.12712 -204.37585 503.10092
5185.0000 -209.33756 -203.53940 5.79816 2.11509 -204.60481 499.11284
5190.0000 -208.61462 -201.79117 6.82344 2.19495 -203.08527 553.82818
5195.0000 -208.63377 -202.98039 5.65338 2.21481 -202.70744 569.21234
5200.0000 -209.96627 -204.56363 5.40264 2.13576 -204.21150 535.37930
5205.0000 -209.77623 -203.98146 5.79477 2.14993 -203.94195 540.55377
5210.0000 -209.95663 -204.56062 5.39601 2.15025 -203.93587 534.97183
5215.0000 -209.25898 -203.62693 5.63205 2.14210 -204.09085 520.58178
5220.0000 -208.92961 -202.89783 6.03178 2.17610 -203.44396 558.29987
5225.0000 -208.24739 -203.47583 4.77156 2.20092 -202.97168 543.27946
5230.0000 -210.00014 -203.55300 6.44714 2.18406 -203.29249 551.28634
5235.0000 -209.71090 -204.30929 5.40160 2.15264 -203.89032 538.56170
5240.0000 -209.71855 -203.31727 6.40128 2.18137 -203.34361 558.39121
5245.0000 -209.82805 -203.75574 6.07231 2.21308 -202.74031 588.28579
5250.0000 -209.44077 -203.59515 5.84562 2.15051 -203.93077 529.37612
FREEZING PROCESS: loop number 22 T-loop= 518.00000000000000
main_MD> interactions number 22 at Temperature= 518.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14395 0.75254 -1.84620
force_rgl> df(natom) -1.87646 1.77398 -0.17234
5255.0000 -210.07669 -204.80612 5.27058 2.13015 -204.31815 503.49744
5260.0000 -208.90046 -203.92724 4.97322 2.14955 -203.94903 517.12733
5265.0000 -210.33697 -204.39829 5.93867 2.13708 -204.18633 518.96913
5270.0000 -210.17181 -205.27394 4.89787 2.11163 -204.67056 513.09958
5275.0000 -210.76071 -205.98826 4.77245 2.06325 -205.59109 480.34889
5280.0000 -210.56629 -205.05932 5.50697 2.07592 -205.35004 498.45474
5285.0000 -208.84910 -203.11124 5.73787 2.13400 -204.24493 539.95481
5290.0000 -209.45075 -203.87287 5.57788 2.21103 -202.77933 580.30288
5295.0000 -211.15305 -205.87611 5.27694 2.07912 -205.28921 496.82567
5300.0000 -210.94893 -205.27543 5.67350 2.06582 -205.54219 487.46403
5305.0000 -210.76908 -204.71135 6.05773 2.09635 -204.96145 511.11607
5310.0000 -210.16896 -204.60347 5.56550 2.09618 -204.96457 511.81406
5315.0000 -210.68781 -205.15422 5.53359 2.07990 -205.27429 495.90557
5320.0000 -211.05893 -205.32099 5.73794 2.07189 -205.42687 490.41150
5325.0000 -210.07326 -204.22115 5.85211 2.09471 -204.99249 500.92686
5330.0000 -210.90141 -206.03307 4.86834 2.07651 -205.33880 476.71990
5335.0000 -209.76130 -203.31661 6.44469 2.09414 -205.00335 484.27491
5340.0000 -209.67192 -204.64373 5.02819 2.14917 -203.95626 510.36727
5345.0000 -210.45466 -204.40816 6.04649 2.09698 -204.94935 479.62582
5350.0000 -209.92672 -203.71201 6.21471 2.15144 -203.91319 532.25823
5355.0000 -209.35024 -202.98124 6.36899 2.17825 -203.40308 543.19901
5360.0000 -209.67970 -203.69801 5.98170 2.18514 -203.27194 552.16587
5365.0000 -210.26048 -205.80103 4.45945 2.08064 -205.26023 479.49375
5370.0000 -211.10933 -206.02986 5.07947 2.04028 -206.02815 452.41908
5375.0000 -210.30160 -205.18900 5.11260 2.05806 -205.68999 474.67528
5380.0000 -210.20537 -204.13535 6.07002 2.09723 -204.94458 515.42785
5385.0000 -210.49527 -205.06134 5.43394 2.11983 -204.51458 535.45859
5390.0000 -210.81644 -205.38800 5.42844 2.07999 -205.27274 522.64009
5395.0000 -211.67181 -206.33177 5.34003 2.01058 -206.59333 474.01208
5400.0000 -211.14305 -205.90560 5.23746 2.03390 -206.14969 482.01093
5405.0000 -210.89232 -205.82153 5.07078 2.05346 -205.77752 502.55572
5410.0000 -211.63228 -206.21676 5.41552 2.03445 -206.13908 491.94514
5415.0000 -211.14221 -206.42401 4.71821 2.01005 -206.60344 469.68705
5420.0000 -211.82723 -206.22839 5.59884 2.04487 -205.94083 496.78098
5425.0000 -212.27499 -206.46657 5.80842 2.04198 -205.99585 488.81496
5430.0000 -211.72714 -206.82740 4.89975 1.99897 -206.81436 464.29958
5435.0000 -210.86395 -204.78030 6.08365 2.03742 -206.08266 488.19707
5440.0000 -210.05759 -204.36861 5.68899 2.10740 -204.75118 518.06281
5445.0000 -209.20737 -203.89457 5.31280 2.12468 -204.42222 514.20034
5450.0000 -209.70500 -204.18608 5.51892 2.12657 -204.38627 529.47106
5455.0000 -210.01987 -204.74588 5.27399 2.12395 -204.43624 521.32313
5460.0000 -209.94269 -204.82793 5.11476 2.11494 -204.60768 515.73900
5465.0000 -209.99581 -204.18704 5.80877 2.12870 -204.34588 531.66491
5470.0000 -209.97087 -204.15494 5.81593 2.13232 -204.27687 523.38444
5475.0000 -210.00972 -204.89975 5.10997 2.09959 -204.89973 502.26748
5480.0000 -211.28654 -205.16052 6.12601 2.08646 -205.14950 498.72998
5485.0000 -210.23378 -204.85885 5.37494 2.09217 -205.04091 498.93870
5490.0000 -209.06830 -203.80460 5.26370 2.11663 -204.57548 507.45682
5495.0000 -210.19687 -204.64531 5.55156 2.12862 -204.34731 529.75492
5500.0000 -208.88765 -203.19708 5.69057 2.14866 -203.96605 531.68032
FREEZING PROCESS: loop number 23 T-loop= 493.00000000000000
main_MD> interactions number 23 at Temperature= 493.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23419 0.38793 0.28981
force_rgl> df(natom) 2.17302 1.06192 3.32362
5505.0000 -211.14064 -204.66191 6.47873 2.17316 -203.49979 563.69287
5510.0000 -210.88350 -205.89294 4.99056 2.06050 -205.64343 482.77280
5515.0000 -210.95285 -205.33174 5.62112 2.04134 -206.00804 471.49821
5520.0000 -210.58659 -205.56023 5.02636 2.07571 -205.35409 481.12254
5525.0000 -210.50842 -205.66860 4.83981 2.09715 -204.94619 480.17946
5530.0000 -210.08785 -204.40931 5.67854 2.09507 -204.98575 504.77775
5535.0000 -209.91998 -204.65587 5.26411 2.14293 -204.07507 528.80628
5540.0000 -208.42327 -203.20468 5.21859 2.17935 -203.38216 550.44526
5545.0000 -209.86807 -204.99215 4.87592 2.12819 -204.35548 498.89298
5550.0000 -209.82703 -204.69031 5.13672 2.08420 -205.19259 464.50374
5555.0000 -210.67865 -205.84702 4.83163 2.08020 -205.26864 473.28193
5560.0000 -209.99158 -204.84235 5.14924 2.06124 -205.62949 455.82288
5565.0000 -210.51596 -204.68182 5.83414 2.11974 -204.51626 516.64944
5570.0000 -211.18770 -204.99787 6.18984 2.09178 -205.04830 520.68072
5575.0000 -211.07908 -205.32489 5.75419 2.09268 -205.03121 526.77826
5580.0000 -211.64471 -206.10174 5.54297 2.04499 -205.93869 491.59580
5585.0000 -211.14354 -205.60818 5.53536 2.06192 -205.61643 496.40197
5590.0000 -210.96564 -205.40818 5.55747 2.06795 -205.50181 505.97129
5595.0000 -210.61946 -205.40269 5.21676 2.09411 -205.00405 549.04293
5600.0000 -212.17529 -206.88686 5.28843 2.04179 -205.99942 507.29290
5605.0000 -210.59254 -205.82408 4.76846 2.03957 -206.04182 498.15740
5610.0000 -211.65439 -206.12179 5.53259 2.03696 -206.09139 499.06693
5615.0000 -211.14826 -205.81009 5.33818 2.00792 -206.64393 484.40040
5620.0000 -211.00125 -205.01917 5.98208 2.06161 -205.62247 516.11908
5625.0000 -210.05219 -204.96892 5.08326 2.10428 -204.81039 553.61421
5630.0000 -211.16027 -205.97882 5.18145 2.07492 -205.36917 508.60237
5635.0000 -211.84629 -206.67351 5.17278 2.02154 -206.38479 492.82159
5640.0000 -212.31191 -206.36427 5.94764 1.99314 -206.92523 476.35202
5645.0000 -211.64146 -206.60644 5.03503 2.03992 -206.03510 506.96145
5650.0000 -211.85350 -205.35728 6.49622 2.02373 -206.34321 494.61982
5655.0000 -210.72672 -205.14037 5.58635 2.08428 -205.19102 510.70386
5660.0000 -210.61996 -205.53900 5.08096 2.07652 -205.33864 479.03122
5665.0000 -210.64246 -205.85528 4.78719 2.07376 -205.39117 486.70447
5670.0000 -209.62184 -204.59641 5.02543 2.07939 -205.28403 488.15675
5675.0000 -209.90003 -204.44142 5.45862 2.08668 -205.14539 501.70895
5680.0000 -211.08359 -205.56627 5.51733 2.10307 -204.83358 507.64858
5685.0000 -211.26721 -206.45822 4.80899 2.03500 -206.12872 469.18920
5690.0000 -210.32437 -205.76303 4.56134 2.02906 -206.24172 464.67259
5695.0000 -210.86324 -205.28841 5.57483 2.06301 -205.59576 488.48812
5700.0000 -210.23728 -204.69495 5.54233 2.10247 -204.84488 523.26806
5705.0000 -211.18584 -205.97903 5.20681 2.06278 -205.60011 501.93169
5710.0000 -210.98226 -205.65920 5.32306 2.04422 -205.95333 488.42271
5715.0000 -211.28476 -206.45151 4.83326 2.03612 -206.10747 480.00562
5720.0000 -210.64786 -205.08753 5.56032 2.05963 -205.66004 503.56565
5725.0000 -210.08345 -205.02105 5.06240 2.09851 -204.92026 521.59809
5730.0000 -210.55297 -205.50538 5.04759 2.08113 -205.25097 490.74571
5735.0000 -210.13611 -205.55024 4.58587 2.06892 -205.48323 464.28022
5740.0000 -210.55543 -205.27533 5.28010 2.07157 -205.43296 457.34959
5745.0000 -211.40534 -205.92529 5.48005 2.07229 -205.41921 469.62089
5750.0000 -212.06384 -207.00635 5.05748 2.01721 -206.46713 471.38550
FREEZING PROCESS: loop number 24 T-loop= 468.00000000000000
main_MD> interactions number 24 at Temperature= 468.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69698 -2.49789 1.72934
force_rgl> df(natom) -3.13950 2.17069 -2.75708
5755.0000 -211.68834 -207.07280 4.61554 1.96938 -207.37738 439.47405
5760.0000 -211.35096 -206.45245 4.89851 2.01048 -206.59529 472.24134
5765.0000 -211.36790 -205.75819 5.60971 2.01947 -206.42413 480.38188
5770.0000 -211.48028 -205.63008 5.85020 2.06189 -205.61700 492.35213
5775.0000 -211.56830 -206.54802 5.02028 2.04873 -205.86747 475.38118
5780.0000 -210.40552 -205.21533 5.19019 2.04435 -205.95072 475.33368
5785.0000 -210.91511 -205.87971 5.03540 2.03589 -206.11172 459.33031
5790.0000 -210.68694 -206.47506 4.21188 2.03835 -206.06492 455.33248
5795.0000 -211.89182 -207.11436 4.77746 1.98979 -206.98900 427.09219
5800.0000 -211.12874 -206.83970 4.28904 1.98901 -207.00380 429.99446
5805.0000 -211.27915 -206.38783 4.89132 2.03460 -206.13637 469.00758
5810.0000 -211.61282 -206.95224 4.66058 2.00070 -206.78138 435.48510
5815.0000 -210.94155 -206.20109 4.74046 2.01029 -206.59897 445.32393
5820.0000 -211.93866 -206.91467 5.02399 2.02464 -206.32593 458.14317
5825.0000 -210.62441 -205.47931 5.14510 2.02545 -206.31037 458.65357
5830.0000 -212.29308 -207.39825 4.89483 2.01787 -206.45459 458.76046
5835.0000 -211.33030 -206.86134 4.46896 1.97403 -207.28874 421.06702
5840.0000 -211.69290 -206.80684 4.88606 1.98886 -207.00663 430.56377
5845.0000 -211.69122 -207.34384 4.34738 1.97417 -207.28620 418.71104
5850.0000 -210.76258 -205.96704 4.79554 2.01110 -206.58345 447.01567
5855.0000 -210.71976 -205.81187 4.90788 2.06551 -205.54824 481.38769
5860.0000 -211.15194 -205.96875 5.18319 2.03969 -206.03944 472.39627
5865.0000 -211.57073 -206.30571 5.26501 2.01985 -206.41698 464.58660
5870.0000 -212.02321 -207.02425 4.99896 2.01171 -206.57192 462.45504
5875.0000 -211.44037 -206.77549 4.66488 1.98766 -207.02945 447.60365
5880.0000 -211.85832 -207.57755 4.28077 1.98196 -207.13802 447.61569
5885.0000 -211.21709 -206.40225 4.81484 2.02044 -206.40584 473.16882
5890.0000 -211.18571 -205.56764 5.61807 2.03070 -206.21044 479.02646
5895.0000 -210.93907 -205.07306 5.86601 2.05467 -205.75448 498.02068
5900.0000 -210.80518 -205.37162 5.43357 2.10278 -204.83905 540.75897
5905.0000 -211.28043 -205.87350 5.40693 2.02500 -206.31894 465.32165
5910.0000 -210.97034 -206.22348 4.74685 2.04536 -205.93157 481.53040
5915.0000 -210.35421 -205.80524 4.54897 2.01630 -206.48455 456.28898
5920.0000 -211.69696 -206.32587 5.37109 2.04058 -206.02247 479.99204
5925.0000 -211.12516 -205.65547 5.46969 2.02488 -206.32126 472.04502
5930.0000 -211.27423 -205.41692 5.85732 2.05638 -205.72190 506.09023
5935.0000 -211.82677 -206.54453 5.28225 2.06597 -205.53950 502.01728
5940.0000 -211.59941 -206.44943 5.14998 2.01080 -206.58912 442.96388
5945.0000 -210.54406 -205.02014 5.52392 2.05849 -205.68171 480.43782
5950.0000 -211.55069 -207.25189 4.29880 2.01518 -206.50592 443.54989
5955.0000 -211.51113 -207.49206 4.01907 1.98094 -207.15741 422.86637
5960.0000 -211.80434 -207.12097 4.68337 1.99180 -206.95062 435.49873
5965.0000 -210.76123 -206.33992 4.42131 2.01339 -206.53984 452.61370
5970.0000 -211.93141 -206.84371 5.08770 2.04527 -205.93322 471.68272
5975.0000 -212.08026 -206.64317 5.43709 1.99069 -206.97178 432.07635
5980.0000 -211.05525 -206.45118 4.60407 2.03061 -206.21216 456.94450
5985.0000 -210.76876 -205.05863 5.71013 2.07491 -205.36938 491.30540
5990.0000 -210.80331 -205.27796 5.52534 2.07140 -205.43605 488.28331
5995.0000 -211.12713 -206.41955 4.70758 2.05160 -205.81279 493.43959
6000.0000 -210.95916 -205.32604 5.63312 2.05087 -205.82667 493.97780
FREEZING PROCESS: loop number 25 T-loop= 443.00000000000000
main_MD> interactions number 25 at Temperature= 443.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86178 -0.46223 0.98956
force_rgl> df(natom) -5.15162 0.19220 -2.74422
6005.0000 -211.31894 -205.32549 5.99346 2.06956 -205.47118 500.85159
6010.0000 -210.74402 -206.13841 4.60561 2.03932 -206.04657 470.42352
6015.0000 -210.93568 -206.16663 4.76906 2.02162 -206.38326 453.06792
6020.0000 -211.21539 -206.06739 5.14800 2.02646 -206.29119 457.39880
6025.0000 -211.24078 -206.59125 4.64953 2.04099 -206.01476 475.14455
6030.0000 -211.81148 -207.17722 4.63426 2.00077 -206.78001 446.63864
6035.0000 -211.40207 -206.50980 4.89227 1.98916 -207.00101 440.49800
6040.0000 -210.96507 -206.28529 4.67979 2.02118 -206.39169 449.57046
6045.0000 -211.23305 -207.42765 3.80540 1.99574 -206.87568 420.15515
6050.0000 -210.35676 -206.37016 3.98659 2.03027 -206.21878 447.32225
6055.0000 -211.72495 -206.73019 4.99477 2.02207 -206.37479 441.77694
6060.0000 -211.43084 -206.70929 4.72155 1.98526 -207.07508 416.27514
6065.0000 -210.23341 -206.27402 3.95939 2.02865 -206.24951 444.03508
6070.0000 -211.06088 -206.72113 4.33975 2.02913 -206.24032 448.15998
6075.0000 -211.41289 -206.21378 5.19910 2.00805 -206.64158 427.89757
6080.0000 -211.34394 -205.98987 5.35407 2.03631 -206.10379 456.58906
6085.0000 -210.91248 -205.79549 5.11700 2.02501 -206.31881 465.86930
6090.0000 -211.44555 -206.07580 5.36975 2.05856 -205.68039 512.65619
6095.0000 -212.05950 -207.41368 4.64582 2.03269 -206.17268 471.53578
6100.0000 -211.57891 -206.86297 4.71594 1.97693 -207.23369 430.60859
6105.0000 -212.48304 -207.43674 5.04630 1.98193 -207.13857 441.09090
6110.0000 -212.37689 -208.53222 3.84468 1.96135 -207.53011 428.92457
6115.0000 -212.55843 -207.44772 5.11071 1.94088 -207.91950 410.52550
6120.0000 -212.03417 -207.03709 4.99709 1.98235 -207.13045 438.51728
6125.0000 -211.79438 -206.83276 4.96162 1.98570 -207.06670 447.42501
6130.0000 -211.96694 -206.61534 5.35161 2.01532 -206.50322 468.77789
6135.0000 -210.93166 -206.45331 4.47835 2.01319 -206.54378 467.10072
6140.0000 -211.89696 -207.58864 4.30831 1.98987 -206.98752 446.31834
6145.0000 -212.47295 -207.30324 5.16971 1.96172 -207.52308 433.76797
6150.0000 -211.29803 -206.81427 4.48376 1.98060 -207.16390 444.09499
6155.0000 -212.13877 -206.38396 5.75481 2.01545 -206.50066 472.42990
6160.0000 -211.27319 -205.70594 5.56726 2.04261 -205.98392 494.10249
6165.0000 -212.23535 -207.17012 5.06522 2.01277 -206.55166 466.01538
6170.0000 -212.27377 -207.54488 4.72889 1.99105 -206.96492 455.48279
6175.0000 -211.70812 -207.34342 4.36470 1.95585 -207.63477 422.75250
6180.0000 -211.20300 -206.68442 4.51858 1.97518 -207.26704 433.70652
6185.0000 -210.97378 -205.76911 5.20467 2.02100 -206.39505 464.24906
6190.0000 -211.36484 -206.12079 5.24405 2.04970 -205.84898 474.58018
6195.0000 -211.07286 -206.50239 4.57047 2.02717 -206.27766 446.70387
6200.0000 -210.87615 -205.45295 5.42320 2.08312 -205.21311 489.52025
6205.0000 -210.60857 -205.97089 4.63768 2.07224 -205.42019 490.95608
6210.0000 -211.37475 -205.87210 5.50265 2.05630 -205.72333 468.91101
6215.0000 -210.75006 -206.27775 4.47231 2.03417 -206.14450 470.27778
6220.0000 -211.86263 -206.24435 5.61828 2.01842 -206.44416 474.08220
6225.0000 -211.95749 -207.20986 4.74763 1.99576 -206.87530 465.76568
6230.0000 -212.15593 -207.56364 4.59229 1.98199 -207.13742 456.59020
6235.0000 -211.98745 -207.61895 4.36850 1.95229 -207.70257 429.48075
6240.0000 -212.29168 -207.14891 5.14277 1.97267 -207.31467 444.05868
6245.0000 -211.81032 -207.33263 4.47769 1.99928 -206.80845 478.08304
6250.0000 -212.49314 -207.79668 4.69646 1.97898 -207.19464 455.55138
FREEZING PROCESS: loop number 26 T-loop= 418.00000000000000
main_MD> interactions number 26 at Temperature= 418.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10625 1.30570 -0.05563
force_rgl> df(natom) -0.65470 0.24316 -0.94988
6255.0000 -212.81947 -208.36825 4.45122 1.92996 -208.12746 424.22473
6260.0000 -212.92630 -208.94808 3.97822 1.90015 -208.69452 393.94463
6265.0000 -212.66243 -208.23510 4.42733 1.91305 -208.44905 403.92747
6270.0000 -212.63342 -207.65330 4.98012 1.96314 -207.49601 450.37549
6275.0000 -212.49253 -207.80560 4.68693 1.96306 -207.49750 441.67646
6280.0000 -212.30709 -208.01271 4.29437 1.94202 -207.89791 421.05174
6285.0000 -212.80605 -208.13545 4.67061 1.93060 -208.11518 414.41190
6290.0000 -212.88435 -207.80360 5.08076 1.95478 -207.65520 436.51623
6295.0000 -212.86787 -208.20200 4.66587 1.92408 -208.23929 411.16934
6300.0000 -212.90059 -208.48021 4.42038 1.92476 -208.22630 410.20730
6305.0000 -212.61928 -207.80485 4.81442 1.91317 -208.44690 401.02133
6310.0000 -212.65561 -208.10332 4.55228 1.96119 -207.53309 442.56231
6315.0000 -212.46670 -208.05374 4.41296 1.91381 -208.43460 402.25731
6320.0000 -212.39809 -207.65563 4.74246 1.94017 -207.93309 418.71376
6325.0000 -213.20285 -208.29142 4.91143 1.92433 -208.23460 411.55026
6330.0000 -211.39945 -207.19540 4.20404 1.95478 -207.65502 436.73987
6335.0000 -212.43297 -208.36104 4.07192 1.95093 -207.72838 420.76974
6340.0000 -212.40043 -208.07856 4.32188 1.94141 -207.90945 415.56738
6345.0000 -212.80571 -208.11738 4.68833 1.95106 -207.72585 429.90657
6350.0000 -212.71926 -207.92641 4.79284 1.92878 -208.14985 414.85547
6355.0000 -212.64037 -208.05957 4.58079 1.91772 -208.36036 408.35860
6360.0000 -213.19846 -208.90443 4.29404 1.91041 -208.49929 405.51204
6365.0000 -212.77986 -208.65684 4.12302 1.89989 -208.69945 397.55550
6370.0000 -212.74706 -208.35026 4.39680 1.91162 -208.47635 399.76946
6375.0000 -212.51167 -208.27485 4.23683 1.93211 -208.08649 419.26297
6380.0000 -212.71334 -207.53222 5.18113 1.93440 -208.04289 419.11068
6385.0000 -212.41654 -207.68735 4.72919 1.95262 -207.69614 434.77310
6390.0000 -212.28319 -207.95163 4.33155 1.93723 -207.98906 426.84070
6395.0000 -212.43884 -207.42588 5.01297 1.95937 -207.56785 443.13987
6400.0000 -212.66008 -207.80224 4.85784 1.95332 -207.68293 432.65990
6405.0000 -212.01892 -207.22684 4.79209 1.97690 -207.23416 445.21857
6410.0000 -212.50770 -207.25140 5.25630 2.00135 -206.76891 467.71797
6415.0000 -212.74194 -207.74970 4.99223 1.96839 -207.39607 437.59409
6420.0000 -212.87054 -208.36239 4.50815 1.93128 -208.10224 416.46291
6425.0000 -212.54414 -208.37881 4.16533 1.92979 -208.13068 403.42766
6430.0000 -212.82856 -208.17965 4.64891 1.91254 -208.45893 400.39369
6435.0000 -212.75300 -208.05838 4.69462 1.91729 -208.36850 404.57369
6440.0000 -212.53226 -207.86554 4.66672 1.94726 -207.79824 423.45157
6445.0000 -213.27766 -208.56152 4.71614 1.91554 -208.40174 406.11926
6450.0000 -212.78392 -207.74002 5.04391 1.94173 -207.90347 424.29428
6455.0000 -212.55857 -208.67010 3.88847 1.92725 -208.17901 412.95399
6460.0000 -212.42070 -207.45406 4.96664 1.96070 -207.54251 434.22734
6465.0000 -212.54017 -208.21975 4.32042 1.96135 -207.53003 442.17497
6470.0000 -212.53682 -207.62767 4.90915 1.94330 -207.87346 421.65656
6475.0000 -212.52989 -207.95696 4.57293 1.95786 -207.59650 437.13132
6480.0000 -212.97181 -208.81503 4.15678 1.91581 -208.39662 404.10202
6485.0000 -212.21069 -208.13119 4.07950 1.92537 -208.21474 418.66084
6490.0000 -212.89798 -208.85304 4.04494 1.89054 -208.87741 387.16001
6495.0000 -212.43085 -207.78508 4.64577 1.91551 -208.40226 407.30263
6500.0000 -212.52630 -207.96206 4.56424 1.94557 -207.83040 433.14187
FREEZING PROCESS: loop number 27 T-loop= 393.00000000000000
main_MD> interactions number 27 at Temperature= 393.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.70944 1.43752 0.88316
force_rgl> df(natom) -0.76556 0.71790 -3.03223
6505.0000 -212.82905 -208.84175 3.98731 1.92806 -208.16347 416.68701
6510.0000 -212.45425 -208.10904 4.34521 1.92453 -208.23076 408.21516
6515.0000 -212.87090 -208.81088 4.06002 1.90535 -208.59567 396.31493
6520.0000 -212.01412 -208.74385 3.27027 1.87903 -209.09653 375.92520
6525.0000 -213.07980 -208.90818 4.17162 1.89290 -208.83248 376.57824
6530.0000 -213.01859 -209.00246 4.01613 1.90054 -208.68712 394.90544
6535.0000 -212.88527 -208.71807 4.16720 1.89593 -208.77483 390.36416
6540.0000 -212.49230 -207.39889 5.09342 1.90694 -208.56543 402.69810
6545.0000 -212.30179 -208.45528 3.84651 1.94299 -207.87945 426.10922
6550.0000 -212.44577 -208.36521 4.08056 1.92148 -208.28874 413.22962
6555.0000 -213.72926 -209.57458 4.15468 1.88731 -208.93883 385.93125
6560.0000 -212.90632 -209.38536 3.52096 1.86784 -209.30930 367.50487
6565.0000 -213.70291 -209.35792 4.34500 1.87289 -209.21326 374.65296
6570.0000 -212.12998 -207.72517 4.40481 1.91441 -208.42324 410.82883
6575.0000 -212.65726 -208.31224 4.34501 1.91813 -208.35246 402.30963
6580.0000 -212.55493 -207.99581 4.55913 1.93569 -208.01830 421.29319
6585.0000 -212.37818 -207.83765 4.54053 1.93328 -208.06429 416.96319
6590.0000 -212.66928 -208.12475 4.54453 1.94109 -207.91558 422.25092
6595.0000 -212.30920 -208.35687 3.95233 1.93036 -208.11980 415.74627
6600.0000 -212.25335 -207.98065 4.27271 1.92821 -208.16070 421.08015
6605.0000 -212.32800 -208.65539 3.67261 1.92277 -208.26420 411.35406
6610.0000 -212.99103 -209.54068 3.45035 1.88653 -208.95376 382.95925
6615.0000 -213.30436 -209.22502 4.07934 1.88857 -208.91489 377.80545
6620.0000 -212.97972 -208.57355 4.40616 1.86936 -209.28049 371.87863
6625.0000 -212.96978 -209.68624 3.28354 1.85782 -209.49995 359.12259
6630.0000 -212.81432 -209.05056 3.76376 1.87040 -209.26072 363.85907
6635.0000 -212.84955 -208.49478 4.35477 1.89998 -208.69784 387.78792
6640.0000 -212.67750 -208.72411 3.95339 1.91767 -208.36119 407.62847
6645.0000 -213.28582 -209.70128 3.58454 1.87363 -209.19930 370.89135
6650.0000 -212.59329 -208.13961 4.45368 1.88053 -209.06785 380.42097
6655.0000 -213.57759 -209.17542 4.40217 1.90608 -208.58169 400.66011
6660.0000 -213.19892 -208.89477 4.30414 1.86981 -209.27181 366.97021
6665.0000 -212.38110 -207.95216 4.42893 1.91194 -208.47016 401.44543
6670.0000 -212.59426 -208.29146 4.30280 1.92778 -208.16881 417.31560
6675.0000 -212.33029 -207.79210 4.53819 1.92084 -208.30093 407.94115
6680.0000 -212.52423 -208.98367 3.54056 1.91395 -208.43198 398.44000
6685.0000 -213.04310 -208.83326 4.20984 1.90459 -208.61009 393.87033
6690.0000 -212.87132 -208.19776 4.67356 1.92024 -208.31241 411.37516
6695.0000 -213.60245 -208.44901 5.15344 1.91024 -208.50259 399.84588
6700.0000 -212.11802 -207.10558 5.01244 1.95736 -207.60592 445.05149
6705.0000 -212.63069 -208.23546 4.39523 1.94011 -207.93432 421.15215
6710.0000 -213.05964 -208.16392 4.89572 1.91208 -208.46761 400.99763
6715.0000 -212.93208 -208.47221 4.45987 1.91350 -208.44065 398.70982
6720.0000 -212.58114 -208.99522 3.58592 1.91094 -208.48923 402.42727
6725.0000 -213.57444 -209.72888 3.84555 1.87308 -209.20964 370.86253
6730.0000 -212.59552 -208.29457 4.30095 1.88440 -208.99422 375.74363
6735.0000 -213.26514 -209.22239 4.04275 1.93000 -208.12666 415.14069
6740.0000 -212.83409 -208.64248 4.19161 1.87850 -209.10657 374.22583
6745.0000 -212.52386 -208.78160 3.74226 1.87861 -209.10448 376.07918
6750.0000 -213.02320 -208.53456 4.48864 1.90446 -208.61265 396.88408
FREEZING PROCESS: loop number 28 T-loop= 368.00000000000000
main_MD> interactions number 28 at Temperature= 368.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27561 3.25372 -0.19170
force_rgl> df(natom) -1.17522 3.13110 0.65702
6755.0000 -213.48781 -209.36292 4.12489 1.89236 -208.84290 387.71102
6760.0000 -214.20499 -209.54456 4.66043 1.85751 -209.50595 361.94136
6765.0000 -213.30368 -209.48470 3.81898 1.86952 -209.27734 366.06020
6770.0000 -212.80043 -208.21162 4.58882 1.89591 -208.77521 387.68994
6775.0000 -212.46860 -207.97932 4.48929 1.91730 -208.36835 406.62043
6780.0000 -212.76889 -208.80742 3.96147 1.92620 -208.19883 412.13828
6785.0000 -213.24625 -209.55537 3.69088 1.88106 -209.05790 379.84130
6790.0000 -213.51000 -209.64265 3.86736 1.84651 -209.71523 352.10930
6795.0000 -213.67757 -210.32813 3.34945 1.83901 -209.85787 347.63952
6800.0000 -212.45428 -208.95635 3.49793 1.83650 -209.90569 343.05291
6805.0000 -212.88021 -209.34915 3.53107 1.87338 -209.20406 371.42685
6810.0000 -213.24424 -209.32421 3.92004 1.85146 -209.62111 356.56309
6815.0000 -213.27892 -209.65081 3.62811 1.86753 -209.31536 369.54452
6820.0000 -213.72379 -209.57277 4.15101 1.86440 -209.37490 365.70320
6825.0000 -213.76264 -209.93934 3.82330 1.84831 -209.68106 351.84073
6830.0000 -213.19110 -209.10511 4.08599 1.85277 -209.59606 357.70360
6835.0000 -213.42627 -209.56814 3.85813 1.86008 -209.45701 364.49945
6840.0000 -212.82941 -208.99983 3.82958 1.86657 -209.33358 367.44630
6845.0000 -212.63477 -208.79658 3.83819 1.85950 -209.46812 360.26460
6850.0000 -213.69149 -209.22313 4.46836 1.86418 -209.37907 361.82947
6855.0000 -213.47350 -209.00394 4.46956 1.86142 -209.43144 363.67516
6860.0000 -213.59685 -209.46041 4.13645 1.87688 -209.13727 376.90304
6865.0000 -212.93670 -209.42438 3.51232 1.85032 -209.64269 356.19770
6870.0000 -213.34744 -209.77980 3.56764 1.85418 -209.56922 355.88483
6875.0000 -213.42796 -209.63418 3.79378 1.87333 -209.20483 362.87711
6880.0000 -213.40412 -208.94393 4.46020 1.86404 -209.38166 365.49870
6885.0000 -213.60599 -210.16373 3.44226 1.86433 -209.37617 367.04722
6890.0000 -213.63333 -209.59923 4.03410 1.83800 -209.87716 344.60054
6895.0000 -211.92681 -207.84894 4.07788 1.90267 -208.64673 391.13576
6900.0000 -212.62096 -208.86277 3.75819 1.94219 -207.89469 422.09410
6905.0000 -213.11861 -208.75812 4.36048 1.91016 -208.50418 402.90981
6910.0000 -213.51825 -209.46308 4.05518 1.87362 -209.19937 373.53647
6915.0000 -213.13271 -209.09598 4.03673 1.85185 -209.61354 357.51696
6920.0000 -212.98281 -209.22306 3.75976 1.87185 -209.23309 373.39113
6925.0000 -213.58022 -209.98595 3.59427 1.84782 -209.69031 349.29557
6930.0000 -213.70626 -209.96012 3.74614 1.83950 -209.84865 348.28065
6935.0000 -213.08389 -209.46519 3.61870 1.84925 -209.66301 356.21006
6940.0000 -213.54530 -210.01881 3.52648 1.84349 -209.77274 345.67626
6945.0000 -213.57946 -209.87448 3.70498 1.85214 -209.60818 355.59937
6950.0000 -213.67418 -210.31659 3.35760 1.82061 -210.20814 330.09465
6955.0000 -213.32421 -209.81741 3.50679 1.83949 -209.84889 345.97551
6960.0000 -213.89599 -209.95148 3.94450 1.85503 -209.55317 360.54420
6965.0000 -213.90620 -210.28683 3.61937 1.84828 -209.68148 354.48942
6970.0000 -213.46782 -209.94752 3.52030 1.83221 -209.98740 340.31837
6975.0000 -212.78633 -208.76656 4.01977 1.87538 -209.16582 379.64183
6980.0000 -213.07553 -209.58118 3.49434 1.88905 -208.90575 382.70685
6985.0000 -213.28999 -209.30190 3.98810 1.86504 -209.36264 372.85149
6990.0000 -214.09051 -209.81134 4.27917 1.87873 -209.10218 382.36186
6995.0000 -213.73214 -209.63927 4.09288 1.85250 -209.60123 357.18498
7000.0000 -213.40725 -210.23769 3.16955 1.82487 -210.12703 333.24501
FREEZING PROCESS: loop number 29 T-loop= 343.00000000000000
main_MD> interactions number 29 at Temperature= 343.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51161 0.31687 -0.79800
force_rgl> df(natom) -0.82944 -0.58702 0.48713
7005.0000 -214.05622 -210.05248 4.00374 1.83249 -209.98200 341.77089
7010.0000 -212.97356 -209.45198 3.52158 1.83878 -209.86233 349.86350
7015.0000 -212.72556 -209.55354 3.17202 1.86077 -209.44386 363.53441
7020.0000 -213.96843 -210.39965 3.56879 1.83409 -209.95148 342.36302
7025.0000 -213.82824 -211.15534 2.67290 1.79093 -210.77278 306.18241
7030.0000 -214.30768 -210.98351 3.32416 1.76961 -211.17847 286.47488
7035.0000 -213.72543 -210.13780 3.58763 1.78086 -210.96445 298.98783
7040.0000 -213.37736 -209.49910 3.87827 1.85052 -209.63896 356.82631
7045.0000 -213.06444 -209.57425 3.49019 1.86504 -209.36273 366.62985
7050.0000 -213.74675 -209.92546 3.82129 1.86269 -209.40736 365.42742
7055.0000 -213.91372 -210.48523 3.42849 1.81792 -210.25920 333.24629
7060.0000 -213.92825 -209.96355 3.96470 1.82204 -210.18076 330.75365
7065.0000 -213.90711 -209.96542 3.94169 1.83138 -210.00305 339.20870
7070.0000 -213.81607 -209.96535 3.85073 1.83804 -209.87640 346.35854
7075.0000 -213.66553 -210.38524 3.28029 1.83308 -209.97078 341.11598
7080.0000 -213.67644 -209.81664 3.85980 1.82440 -210.13600 329.67668
7085.0000 -214.03906 -209.60780 4.43127 1.84626 -209.72005 351.95714
7090.0000 -213.73180 -209.75049 3.98131 1.84335 -209.77539 351.90322
7095.0000 -213.30886 -209.65684 3.65202 1.83066 -210.01684 341.22587
7100.0000 -214.64484 -211.05327 3.59157 1.82127 -210.19547 332.53547
7105.0000 -213.55105 -210.05301 3.49804 1.81719 -210.27309 332.28388
7110.0000 -213.76728 -210.68337 3.08391 1.80686 -210.46964 323.57264
7115.0000 -213.87010 -210.35050 3.51959 1.82825 -210.06260 342.67177
7120.0000 -213.85945 -210.61646 3.24299 1.80701 -210.46688 323.39200
7125.0000 -213.87044 -210.01832 3.85212 1.82403 -210.14301 334.50522
7130.0000 -213.82289 -209.09405 4.72884 1.87111 -209.24712 376.70680
7135.0000 -213.57975 -209.89406 3.68569 1.86308 -209.39999 369.36939
7140.0000 -213.37710 -209.44752 3.92958 1.85120 -209.62598 356.82361
7145.0000 -213.11660 -209.56212 3.55448 1.84782 -209.69022 357.68255
7150.0000 -213.48589 -210.32286 3.16303 1.84588 -209.72718 355.25632
7155.0000 -213.37419 -209.47168 3.90251 1.84750 -209.69641 357.71758
7160.0000 -213.80997 -210.06575 3.74421 1.83584 -209.91835 335.48416
7165.0000 -213.25907 -209.84433 3.41474 1.82570 -210.11119 327.71669
7170.0000 -214.01149 -210.60952 3.40197 1.80183 -210.56538 308.53670
7175.0000 -213.67860 -210.02535 3.65326 1.81475 -210.31948 315.80354
7180.0000 -213.66902 -209.91772 3.75129 1.83432 -209.94709 331.22790
7185.0000 -213.10312 -209.59568 3.50744 1.83097 -210.01095 330.59185
7190.0000 -213.23893 -209.39818 3.84075 1.86276 -209.40609 359.92069
7195.0000 -213.27808 -209.73932 3.53876 1.84740 -209.69823 347.91430
7200.0000 -213.12894 -210.26402 2.86492 1.80344 -210.53468 312.69202
7205.0000 -213.45088 -210.32193 3.12895 1.82532 -210.11845 323.80488
7210.0000 -213.83586 -210.15558 3.68027 1.79765 -210.64492 298.67187
7215.0000 -213.58428 -209.97754 3.60674 1.84493 -209.74530 346.42853
7220.0000 -213.57379 -209.52918 4.04460 1.85557 -209.54278 353.25738
7225.0000 -213.99997 -210.02989 3.97009 1.83495 -209.93519 337.82281
7230.0000 -213.44872 -210.32696 3.12177 1.81515 -210.31200 321.90211
7235.0000 -214.16758 -210.32211 3.84548 1.81823 -210.25330 328.67402
7240.0000 -213.66894 -210.25533 3.41361 1.80536 -210.49818 324.73441
7245.0000 -213.25650 -209.90420 3.35230 1.84431 -209.75705 351.64555
7250.0000 -214.06023 -210.27574 3.78449 1.84339 -209.77458 354.93981
FREEZING PROCESS: loop number 30 T-loop= 318.00000000000000
main_MD> interactions number 30 at Temperature= 318.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.80470 -0.35958 -1.53445
force_rgl> df(natom) -1.90526 -0.13671 1.69180
7255.0000 -213.60069 -210.21478 3.38591 1.81887 -210.24117 330.94844
7260.0000 -213.83669 -209.99838 3.83831 1.82782 -210.07082 340.33429
7265.0000 -213.84448 -210.12385 3.72063 1.80879 -210.43297 322.40955
7270.0000 -214.27154 -210.91161 3.35993 1.80965 -210.41667 325.52862
7275.0000 -214.27187 -211.26181 3.01006 1.78135 -210.95517 302.74095
7280.0000 -214.00088 -210.88065 3.12023 1.77840 -211.01117 298.36054
7285.0000 -213.71482 -209.92946 3.78537 1.79651 -210.66658 314.81662
7290.0000 -214.21152 -210.62331 3.58821 1.79504 -210.69467 311.59688
7295.0000 -213.27608 -210.25060 3.02547 1.81448 -210.32462 329.92450
7300.0000 -213.80767 -210.64412 3.16355 1.81052 -210.40008 327.12137
7305.0000 -214.19370 -210.74125 3.45245 1.79738 -210.65005 318.18195
7310.0000 -213.94679 -210.93272 3.01407 1.79435 -210.70770 312.39775
7315.0000 -213.88854 -210.35783 3.53071 1.78857 -210.81777 308.13962
7320.0000 -214.06634 -210.30313 3.76321 1.82385 -210.14635 338.41381
7325.0000 -214.31926 -210.16904 4.15021 1.81012 -210.40759 325.15800
7330.0000 -214.17946 -210.33481 3.84465 1.81341 -210.34509 328.77407
7335.0000 -214.34748 -210.62480 3.72268 1.81976 -210.22431 331.99388
7340.0000 -214.06257 -211.20491 2.85766 1.76766 -211.21554 290.15258
7345.0000 -214.45725 -211.06490 3.39235 1.76465 -211.27290 289.44441
7350.0000 -214.61398 -211.28662 3.32736 1.78233 -210.93643 302.02397
7355.0000 -214.07513 -210.45492 3.62021 1.78232 -210.93668 301.54294
7360.0000 -213.75156 -210.14589 3.60567 1.81984 -210.22268 334.04886
7365.0000 -214.20005 -210.79361 3.40645 1.81088 -210.39323 324.69651
7370.0000 -213.45984 -210.04396 3.41588 1.82021 -210.21563 333.81056
7375.0000 -213.98046 -210.40766 3.57280 1.81471 -210.32035 327.03333
7380.0000 -213.58744 -210.00149 3.58595 1.81940 -210.23113 334.92553
7385.0000 -214.07576 -210.64648 3.42928 1.81091 -210.39265 324.63852
7390.0000 -213.33830 -209.84159 3.49672 1.81252 -210.36190 326.64254
7395.0000 -213.64105 -209.85965 3.78140 1.85603 -209.53405 363.47913
7400.0000 -214.39574 -210.96719 3.42855 1.82714 -210.08381 336.32230
7405.0000 -214.17178 -209.86665 4.30512 1.79762 -210.64541 316.85324
7410.0000 -213.92470 -210.32311 3.60159 1.81594 -210.29685 331.22119
7415.0000 -213.89500 -210.19794 3.69705 1.82396 -210.14434 337.18557
7420.0000 -214.36511 -211.02518 3.33993 1.78878 -210.81373 308.29677
7425.0000 -213.58928 -210.03438 3.55490 1.80504 -210.50438 320.46102
7430.0000 -214.41737 -211.49628 2.92109 1.79541 -210.68762 314.00695
7435.0000 -213.86010 -210.64994 3.21017 1.77800 -211.01877 298.67029
7440.0000 -213.59146 -210.19242 3.39904 1.82100 -210.20058 336.43875
7445.0000 -213.70750 -210.28695 3.42054 1.80861 -210.43642 325.70927
7450.0000 -213.74895 -210.15420 3.59475 1.82239 -210.17418 335.75300
7455.0000 -213.86815 -210.47162 3.39653 1.80798 -210.44846 322.29520
7460.0000 -214.42343 -211.27165 3.15178 1.79427 -210.70925 312.48974
7465.0000 -214.08411 -210.91261 3.17150 1.77459 -211.08376 294.45817
7470.0000 -214.25380 -211.01958 3.23422 1.78939 -210.80201 307.46263
7475.0000 -214.29465 -210.87078 3.42386 1.77951 -210.99003 306.69345
7480.0000 -214.11019 -210.65085 3.45934 1.79254 -210.74217 313.18234
7485.0000 -214.05338 -210.16445 3.88894 1.81468 -210.32095 330.90753
7490.0000 -213.75152 -210.43539 3.31614 1.82071 -210.20611 335.85629
7495.0000 -214.47373 -210.99727 3.47645 1.80041 -210.59240 317.63962
7500.0000 -214.22587 -210.69845 3.52741 1.77347 -211.10500 298.70954
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 5.5309772 [s].
main_MD> Deallocating global variables
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