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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_94/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_94.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 = 94 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 94 9400
main_MD> Size of nv and nvoiz: 94 9400
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 = 94
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> 4.2675636515163262E-002 -1.8316426822488643E-002 6.3955241261786519E-002 initial drift of cluster / NP1 for coalescence
init> 0.30113198501092009 0.31754086143692350 0.29768437540532339 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6107208663410106E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.89760 0.15340 -1.20743
force_rgl> df(natom) 0.15816 -0.30346 1.11522
preparo> THERMALIZATION PROCESS AT 1128.7542075031633
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -208.48600778330194 13.860563647707972 -222.34657143100992 6.9861985360083448E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1106.0000000000000
main_MD> interactions number 1 at Temperature= 1106.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70786 1.84761 3.26264
force_rgl> df(natom) -0.29592 1.70166 0.78073
5.0000 -224.34626 -210.32684 14.01942 3.26483 -209.80391 1182.42259
10.0000 -224.93239 -212.45702 12.47537 3.17515 -211.65792 1143.68444
15.0000 -229.56980 -216.30575 13.26405 3.04697 -214.30776 1054.60265
20.0000 -227.08304 -214.50908 12.57396 2.95878 -216.13092 983.91075
25.0000 -225.22488 -211.40174 13.82314 3.15027 -212.17225 1113.44852
30.0000 -222.61185 -207.35841 15.25344 3.23112 -210.50082 1179.70864
35.0000 -223.27936 -209.44720 13.83217 3.34390 -208.16920 1190.02045
40.0000 -225.25781 -210.20437 15.05344 3.22602 -210.60625 1109.67758
45.0000 -223.51145 -208.82775 14.68370 3.25119 -210.08581 1161.72726
50.0000 -225.55670 -208.83728 16.71941 3.31104 -208.84844 1184.14492
55.0000 -227.67135 -213.19164 14.47971 3.16930 -211.77888 1125.62341
60.0000 -226.56919 -211.94490 14.62429 3.14992 -212.17955 1060.12531
65.0000 -226.61067 -213.36778 13.24289 3.12866 -212.61893 1074.24424
70.0000 -226.40752 -213.35295 13.05457 3.11525 -212.89626 1046.86291
75.0000 -227.03642 -212.32696 14.70946 3.14719 -212.23580 1099.53209
80.0000 -224.98962 -213.13294 11.85667 3.14421 -212.29759 1100.77090
85.0000 -224.63074 -211.78835 12.84240 3.15855 -212.00099 1113.15003
90.0000 -224.85517 -213.43834 11.41684 3.12484 -212.69787 1115.09177
95.0000 -227.57582 -217.10776 10.46806 3.02265 -214.81069 978.14738
100.0000 -224.61853 -211.19994 13.41859 3.10107 -213.18938 1068.35567
105.0000 -223.40772 -211.01916 12.38856 3.23115 -210.50014 1145.76837
110.0000 -225.31550 -212.38689 12.92861 3.20610 -211.01796 1123.76914
115.0000 -224.91689 -214.08897 10.82792 3.13752 -212.43583 1064.81598
120.0000 -225.96859 -213.83753 12.13105 3.04191 -214.41236 1037.62259
125.0000 -226.36470 -213.68867 12.67604 3.10366 -213.13573 1044.18858
130.0000 -226.01779 -212.96975 13.04803 3.05011 -214.24280 1022.26519
135.0000 -225.07793 -211.83940 13.23852 3.20342 -211.07338 1136.77499
140.0000 -225.45232 -211.05706 14.39526 3.20966 -210.94432 1125.27669
145.0000 -224.60184 -210.21866 14.38318 3.19562 -211.23476 1154.74867
150.0000 -228.36512 -214.37147 13.99365 3.11711 -212.85777 1088.58389
155.0000 -225.18218 -212.50680 12.67537 3.08835 -213.45229 1073.48654
160.0000 -226.74064 -213.60950 13.13114 3.12837 -212.62487 1125.26001
165.0000 -225.95058 -211.11984 14.83073 3.14051 -212.37396 1118.78736
170.0000 -227.27063 -212.73948 14.53114 3.11833 -212.83262 1079.03981
175.0000 -226.58357 -214.99423 11.58934 3.13617 -212.46376 1091.23877
180.0000 -224.17744 -210.95035 13.22709 3.15070 -212.16336 1093.87482
185.0000 -225.02408 -212.49111 12.53297 3.23432 -210.43454 1131.46208
190.0000 -227.97047 -215.20401 12.76646 3.09766 -213.25986 1076.00895
195.0000 -226.06445 -213.71631 12.34813 3.07038 -213.82375 1057.85275
200.0000 -226.02260 -213.77448 12.24811 3.04302 -214.38938 1036.89636
205.0000 -227.59560 -214.98512 12.61049 3.03233 -214.61051 1030.53632
210.0000 -226.83888 -215.30586 11.53302 3.04429 -214.36325 1032.99816
215.0000 -227.87146 -216.78603 11.08543 3.03126 -214.63267 1014.31821
220.0000 -227.17864 -213.87194 13.30670 2.99074 -215.47022 1015.32053
225.0000 -227.44489 -214.22025 13.22465 3.04808 -214.28487 1030.28239
230.0000 -225.55526 -213.86326 11.69200 3.08743 -213.47129 1067.70402
235.0000 -224.90248 -212.33597 12.56651 3.09162 -213.38464 1054.38474
240.0000 -227.30530 -213.73396 13.57134 3.10563 -213.09511 1071.92236
245.0000 -228.09026 -214.73007 13.36019 3.04887 -214.26859 1033.64046
250.0000 -226.16877 -213.81706 12.35171 3.08885 -213.44206 1098.59019
FREEZING PROCESS: loop number 2 T-loop= 1081.0000000000000
main_MD> interactions number 2 at Temperature= 1081.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10584 0.91030 -1.62528
force_rgl> df(natom) -1.14119 -1.75949 -1.01772
255.0000 -228.05020 -213.79417 14.25603 3.08219 -213.57964 1060.21499
260.0000 -226.65519 -210.55213 16.10306 3.12378 -212.71980 1064.79425
265.0000 -227.21210 -214.46068 12.75141 3.18399 -211.47500 1084.49396
270.0000 -224.99391 -212.94037 12.05354 3.07918 -213.64185 1050.46861
275.0000 -225.23982 -211.93349 13.30633 3.14390 -212.30394 1112.61073
280.0000 -225.05359 -211.93299 13.12059 3.11020 -213.00064 1096.02158
285.0000 -224.12058 -211.33903 12.78155 3.19994 -211.14528 1091.32116
290.0000 -223.31068 -209.29764 14.01304 3.28110 -209.46738 1171.77986
295.0000 -224.22110 -209.98566 14.23545 3.23478 -210.42514 1145.92082
300.0000 -225.89485 -212.52661 13.36824 3.13900 -212.40523 1083.85189
305.0000 -225.14239 -212.58439 12.55799 3.14042 -212.37575 1060.29739
310.0000 -228.06632 -215.11166 12.95466 3.11512 -212.89886 1082.10840
315.0000 -227.78065 -213.78994 13.99071 3.05993 -214.03978 1037.69635
320.0000 -225.21051 -212.32685 12.88367 3.12687 -212.65591 1051.59989
325.0000 -223.76699 -209.99807 13.76892 3.15542 -212.06573 1087.27252
330.0000 -225.42335 -214.11690 11.30646 3.15727 -212.02740 1114.13163
335.0000 -227.06714 -212.02821 15.03892 3.12146 -212.76781 1093.52167
340.0000 -224.25737 -211.40414 12.85324 3.16529 -211.86165 1130.15279
345.0000 -225.98065 -213.00265 12.97799 3.17939 -211.57025 1127.50387
350.0000 -223.52863 -210.47797 13.05066 3.21158 -210.90477 1142.39242
355.0000 -224.65182 -213.36112 11.29070 3.12816 -212.62937 1065.69916
360.0000 -228.89103 -216.18510 12.70593 3.04019 -214.44790 1040.90366
365.0000 -227.20258 -215.08822 12.11436 2.99322 -215.41912 1017.52161
370.0000 -228.67462 -215.37495 13.29967 3.00042 -215.27010 1018.56169
375.0000 -226.90030 -215.93104 10.96925 3.00779 -215.11775 1025.81225
380.0000 -227.32107 -215.07247 12.24860 2.95742 -216.15920 961.91770
385.0000 -226.23051 -215.36929 10.86123 2.99447 -215.39320 1016.23983
390.0000 -227.57756 -215.60272 11.97484 3.01082 -215.05517 1006.69919
395.0000 -227.03742 -214.57389 12.46353 2.99794 -215.32133 1006.38241
400.0000 -226.59494 -213.65188 12.94307 3.08581 -213.50482 1058.46630
405.0000 -225.03110 -211.37443 13.65667 3.09167 -213.38361 1023.09651
410.0000 -224.94342 -211.58345 13.35997 3.21558 -210.82209 1139.82606
415.0000 -227.40868 -215.05485 12.35383 3.06910 -213.85035 1019.57380
420.0000 -225.87962 -213.35793 12.52170 3.04750 -214.29691 1025.62673
425.0000 -227.50235 -215.44285 12.05950 3.06880 -213.85649 1041.59058
430.0000 -225.73436 -211.96903 13.76533 3.01204 -215.03001 1015.37789
435.0000 -226.69993 -214.49614 12.20380 3.08868 -213.44542 1032.93289
440.0000 -226.77258 -213.33519 13.43740 3.08320 -213.55871 1057.75230
445.0000 -226.07648 -213.78919 12.28729 3.08263 -213.57049 1050.39773
450.0000 -226.61310 -212.86072 13.75238 3.07578 -213.71214 1051.08362
455.0000 -227.23714 -214.74542 12.49172 3.08774 -213.46499 1048.07718
460.0000 -224.73323 -211.38255 13.35068 3.08785 -213.46257 1061.52861
465.0000 -222.76912 -211.62048 11.14864 3.23528 -210.41482 1128.13231
470.0000 -224.88372 -212.02707 12.85666 3.17788 -211.60150 1120.30404
475.0000 -224.02208 -209.60220 14.41988 3.24034 -210.31004 1138.35584
480.0000 -225.03950 -213.01290 12.02661 3.18468 -211.46082 1115.66259
485.0000 -227.16690 -212.85959 14.30731 3.12962 -212.59908 1069.48549
490.0000 -228.61647 -215.61943 12.99704 3.04400 -214.36919 1037.09163
495.0000 -224.62709 -212.93933 11.68777 3.08435 -213.53494 1053.69821
500.0000 -226.12409 -212.49190 13.63219 3.14394 -212.30309 1098.54746
FREEZING PROCESS: loop number 3 T-loop= 1056.0000000000000
main_MD> interactions number 3 at Temperature= 1056.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02497 1.28111 2.10055
force_rgl> df(natom) -2.37308 -1.00703 3.57347
505.0000 -227.07715 -214.85234 12.22481 3.11676 -212.86505 1077.15590
510.0000 -225.96326 -214.79890 11.16436 3.02906 -214.67798 1022.13116
515.0000 -226.84992 -213.33485 13.51507 3.14040 -212.37629 1114.33991
520.0000 -225.17500 -211.81472 13.36028 3.12724 -212.64842 1114.46000
525.0000 -226.76470 -214.78438 11.98031 3.08595 -213.50193 1049.03705
530.0000 -227.24975 -214.59037 12.65938 3.04002 -214.45141 1030.36915
535.0000 -225.79856 -211.36524 14.43332 3.10953 -213.01451 1078.26490
540.0000 -224.20400 -211.86234 12.34167 3.20596 -211.02091 1105.85543
545.0000 -226.32265 -212.81896 13.50369 3.14075 -212.36909 1096.38474
550.0000 -223.73282 -209.98679 13.74604 3.10381 -213.13270 1090.07085
555.0000 -228.56092 -215.12225 13.43866 3.10594 -213.08869 1077.00486
560.0000 -225.15914 -212.85385 12.30529 3.17619 -211.63640 1107.46268
565.0000 -225.55905 -211.34506 14.21399 3.11715 -212.85682 1070.38251
570.0000 -224.08069 -212.13494 11.94575 3.18440 -211.46671 1103.06070
575.0000 -226.97965 -214.58676 12.39289 3.06621 -213.91005 997.60538
580.0000 -227.87227 -213.35000 14.52227 3.06310 -213.97426 1049.78198
585.0000 -227.41180 -215.65588 11.75592 3.03117 -214.63445 1004.98720
590.0000 -227.57814 -215.07774 12.50041 2.99728 -215.33509 1013.88204
595.0000 -227.28654 -214.69440 12.59214 3.00347 -215.20703 1006.80577
600.0000 -225.93053 -214.86796 11.06256 2.98419 -215.60565 1013.68687
605.0000 -226.62903 -212.75968 13.86935 3.08302 -213.56253 1029.11532
610.0000 -226.53526 -212.92430 13.61096 3.09848 -213.24296 1062.36595
615.0000 -228.75104 -216.51898 12.23206 3.01375 -214.99455 1041.24995
620.0000 -226.98182 -215.12621 11.85561 2.95434 -216.22277 993.05111
625.0000 -225.07605 -211.84635 13.22971 3.10907 -213.02400 1065.20085
630.0000 -225.72986 -212.69290 13.03697 3.20623 -211.01537 1132.83009
635.0000 -224.53261 -209.48763 15.04498 3.13580 -212.47139 1104.37032
640.0000 -225.44584 -212.32306 13.12278 3.20261 -211.09007 1145.08880
645.0000 -225.80258 -212.85782 12.94477 3.19530 -211.24125 1124.76174
650.0000 -226.06463 -212.23632 13.82831 3.09884 -213.23542 1069.82225
655.0000 -223.67720 -209.86309 13.81411 3.21479 -210.83836 1132.76228
660.0000 -223.30202 -210.00081 13.30121 3.23879 -210.34227 1134.49333
665.0000 -225.52651 -212.14119 13.38531 3.17855 -211.58761 1130.36114
670.0000 -225.47106 -211.61062 13.86045 3.14299 -212.32263 1097.32344
675.0000 -225.81187 -213.41901 12.39286 3.16112 -211.94791 1104.28831
680.0000 -228.71736 -215.88324 12.83411 3.06947 -213.84256 1062.72261
685.0000 -225.85757 -214.10825 11.74932 3.01477 -214.97343 1017.55820
690.0000 -226.82845 -215.78757 11.04089 3.02322 -214.79881 1035.22137
695.0000 -225.69265 -212.17562 13.51703 3.11213 -212.96070 1041.74049
700.0000 -223.93945 -211.24443 12.69503 3.14054 -212.37329 1082.38104
705.0000 -225.24601 -212.65854 12.58747 3.22707 -210.58445 1107.50724
710.0000 -225.90877 -212.92282 12.98594 3.11663 -212.86772 1091.92282
715.0000 -225.19876 -211.97616 13.22260 3.16947 -211.77522 1126.70617
720.0000 -225.79334 -212.57530 13.21804 3.13862 -212.41297 1088.66479
725.0000 -226.32565 -212.71788 13.60777 3.09650 -213.28378 1066.38292
730.0000 -226.82332 -213.53398 13.28933 3.06211 -213.99475 1036.80626
735.0000 -227.61704 -214.18722 13.42982 3.08091 -213.60622 1059.56872
740.0000 -227.77555 -213.94538 13.83017 3.06763 -213.88069 1063.67519
745.0000 -227.69548 -215.50383 12.19165 2.99724 -215.33599 1003.70137
750.0000 -227.10282 -214.08745 13.01537 3.03811 -214.49091 1023.12085
FREEZING PROCESS: loop number 4 T-loop= 1031.0000000000000
main_MD> interactions number 4 at Temperature= 1031.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51491 -1.83987 2.50842
force_rgl> df(natom) -2.01128 -0.74145 -0.08098
755.0000 -226.55502 -213.75616 12.79886 3.07029 -213.82559 1058.35385
760.0000 -226.59761 -213.84303 12.75457 3.07850 -213.65595 1026.10230
765.0000 -226.31460 -215.08465 11.22995 3.02507 -214.76054 1021.95731
770.0000 -229.01884 -215.82656 13.19229 2.99681 -215.34486 994.00085
775.0000 -226.66999 -213.93976 12.73022 2.99147 -215.45526 991.70989
780.0000 -228.76031 -217.61273 11.14759 2.97935 -215.70583 998.48890
785.0000 -227.75462 -217.19570 10.55892 2.90359 -217.27204 930.92507
790.0000 -229.85806 -214.90973 14.94833 2.96353 -216.03289 966.40310
795.0000 -227.54187 -215.44540 12.09647 2.99674 -215.34622 1012.32696
800.0000 -226.86184 -214.26153 12.60031 3.03161 -214.62540 1035.88737
805.0000 -226.82235 -214.83013 11.99221 3.07886 -213.64848 1076.83676
810.0000 -227.30026 -215.72647 11.57379 3.02435 -214.77542 1004.59589
815.0000 -227.02434 -214.37032 12.65402 3.02354 -214.79209 1021.96796
820.0000 -226.95376 -216.33103 10.62273 3.04365 -214.37638 1024.28458
825.0000 -229.93953 -219.17206 10.76747 2.91749 -216.98468 977.27455
830.0000 -230.72387 -220.19647 10.52741 2.76464 -220.14463 874.85085
835.0000 -228.98086 -218.69842 10.28244 2.81026 -219.20157 900.72595
840.0000 -227.53010 -214.21791 13.31220 2.98076 -215.67658 973.31306
845.0000 -230.05196 -218.13707 11.91489 2.96057 -216.09398 972.65440
850.0000 -230.68762 -219.68291 11.00471 2.79181 -219.58286 884.58827
855.0000 -228.02608 -216.45655 11.56953 2.92430 -216.84394 987.98905
860.0000 -225.91117 -212.00607 13.90510 3.10217 -213.16666 1050.67244
865.0000 -224.78744 -211.29269 13.49476 3.17133 -211.73673 1110.24150
870.0000 -226.19051 -210.79308 15.39742 3.16020 -211.96695 1083.96841
875.0000 -227.44263 -211.47994 15.96269 3.23151 -210.49260 1152.98967
880.0000 -227.92696 -215.93467 11.99230 3.14912 -212.19602 1094.37950
885.0000 -228.29210 -214.65387 13.63823 3.01358 -214.99809 1020.82797
890.0000 -227.87934 -215.38701 12.49233 3.03319 -214.59269 1034.37486
895.0000 -228.15352 -213.72487 14.42865 3.05492 -214.14351 1053.66723
900.0000 -227.67505 -215.38933 12.28573 3.03047 -214.64891 1033.78245
905.0000 -228.27462 -216.89917 11.37545 2.93888 -216.54239 957.02875
910.0000 -226.63717 -214.93283 11.70433 2.96586 -215.98462 970.77041
915.0000 -226.34421 -213.14088 13.20332 3.02523 -214.75717 1002.10985
920.0000 -227.29911 -213.75503 13.54409 3.06299 -213.97660 1044.22911
925.0000 -226.89210 -215.63129 11.26081 3.02994 -214.65994 1024.86939
930.0000 -227.38829 -215.58157 11.80671 3.01819 -214.90285 1015.89305
935.0000 -229.08524 -216.86329 12.22195 2.96487 -216.00512 1013.43381
940.0000 -227.83331 -216.29934 11.53397 2.90161 -217.31288 940.03891
945.0000 -227.89334 -216.39200 11.50135 2.99478 -215.38685 1018.40435
950.0000 -225.66335 -212.99122 12.67212 3.05142 -214.21579 1016.05349
955.0000 -226.57743 -212.19568 14.38175 3.15481 -212.07830 1083.68906
960.0000 -227.11134 -214.24834 12.86300 3.11329 -212.93667 1075.52320
965.0000 -226.53990 -213.46636 13.07355 3.07919 -213.64166 1063.68866
970.0000 -229.59899 -215.79393 13.80506 3.03260 -214.60488 1026.88169
975.0000 -226.57033 -215.58841 10.98193 2.98342 -215.62152 1012.82054
980.0000 -226.60153 -214.18271 12.41882 3.00493 -215.17702 1000.70650
985.0000 -227.78880 -214.24399 13.54481 3.03293 -214.59799 1016.33924
990.0000 -228.32376 -215.16753 13.15624 3.02333 -214.79663 1012.97691
995.0000 -225.71641 -214.68465 11.03176 2.94706 -216.37324 954.70448
1000.0000 -227.19433 -213.74132 13.45301 3.06834 -213.86595 1026.63045
FREEZING PROCESS: loop number 5 T-loop= 1006.0000000000000
main_MD> interactions number 5 at Temperature= 1006.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.13195 -5.45195 -0.23075
force_rgl> df(natom) -3.35642 1.58437 -0.91078
1005.0000 -225.75089 -212.77523 12.97566 3.08363 -213.55000 1052.25036
1010.0000 -226.25144 -214.11211 12.13933 3.11256 -212.95176 1047.27232
1015.0000 -226.01036 -214.72101 11.28935 3.03733 -214.50715 1038.39769
1020.0000 -229.18639 -218.16334 11.02306 2.90381 -217.26750 952.60644
1025.0000 -228.39406 -214.90047 13.49359 2.98931 -215.49980 1020.23862
1030.0000 -227.51638 -214.82375 12.69264 3.04865 -214.27315 1040.62884
1035.0000 -227.13320 -214.80795 12.32525 3.02147 -214.83500 1014.12679
1040.0000 -227.42977 -214.10403 13.32574 3.04675 -214.31232 1040.11668
1045.0000 -226.80141 -215.54555 11.25587 3.06373 -213.96140 1038.19999
1050.0000 -229.20074 -216.32769 12.87305 2.95606 -216.18717 971.04491
1055.0000 -229.02399 -217.71574 11.30825 2.91345 -217.06806 957.27329
1060.0000 -228.06904 -216.89824 11.17080 2.91194 -217.09947 929.79815
1065.0000 -228.35583 -216.59660 11.75923 2.95151 -216.28126 948.08920
1070.0000 -228.68583 -214.98129 13.70454 2.96430 -216.01693 960.05311
1075.0000 -228.71284 -215.94019 12.77266 2.98158 -215.65956 1004.97642
1080.0000 -229.23558 -216.80528 12.43030 3.02411 -214.78042 1031.51374
1085.0000 -227.67496 -215.35314 12.32182 2.97971 -215.69829 979.14624
1090.0000 -228.73582 -216.25016 12.48565 2.98209 -215.64912 984.89153
1095.0000 -227.98564 -216.78436 11.20128 2.88889 -217.57588 930.97862
1100.0000 -228.19103 -217.10326 11.08778 2.95020 -216.30847 990.55164
1105.0000 -228.83980 -215.95800 12.88180 2.92709 -216.78613 962.34591
1110.0000 -228.58582 -216.49338 12.09244 2.88805 -217.59327 955.31506
1115.0000 -226.32577 -215.75246 10.57330 2.99321 -215.41912 1022.73424
1120.0000 -229.69050 -216.05357 13.63693 2.92845 -216.75798 972.63491
1125.0000 -228.97835 -216.37933 12.59902 2.97225 -215.85257 1008.46824
1130.0000 -225.86363 -214.51299 11.35064 2.94494 -216.41724 965.60976
1135.0000 -227.62478 -215.50914 12.11564 3.01866 -214.89310 994.50771
1140.0000 -226.76416 -214.52820 12.23596 3.00242 -215.22877 999.92190
1145.0000 -229.45993 -215.60415 13.85578 3.00223 -215.23277 1013.06750
1150.0000 -226.06049 -213.28545 12.77504 3.01273 -215.01568 1009.54639
1155.0000 -227.62070 -214.00756 13.61314 3.04453 -214.35818 1036.88727
1160.0000 -227.25511 -215.87769 11.37742 3.00928 -215.08696 1019.64011
1165.0000 -228.35827 -216.46170 11.89657 3.00125 -215.25301 1024.22410
1170.0000 -227.34073 -213.72827 13.61247 3.01506 -214.96749 1006.59241
1175.0000 -226.61686 -214.53233 12.08453 3.05413 -214.15983 1045.82466
1180.0000 -226.78989 -213.55036 13.23952 3.08393 -213.54363 1090.60926
1185.0000 -226.85851 -215.82394 11.03457 2.95508 -216.20748 976.23745
1190.0000 -225.73195 -212.10343 13.62852 3.06126 -214.01241 1047.78498
1195.0000 -227.03482 -214.89414 12.14068 3.05990 -214.04039 1035.77405
1200.0000 -228.31660 -217.07985 11.23676 2.97953 -215.70196 973.15616
1205.0000 -227.72921 -213.32730 14.40191 3.04380 -214.37340 1035.44136
1210.0000 -228.80053 -215.70898 13.09156 3.03636 -214.52712 1033.92467
1215.0000 -228.11739 -214.50570 13.61169 3.05587 -214.12380 1033.55153
1220.0000 -227.80214 -214.76536 13.03678 3.00012 -215.27630 1002.75879
1225.0000 -228.70730 -216.46422 12.24308 3.05037 -214.23741 1019.33302
1230.0000 -224.72987 -213.43449 11.29538 3.00599 -215.15495 1018.41609
1235.0000 -224.71504 -212.04326 12.67178 3.12008 -212.79637 1055.23316
1240.0000 -226.89071 -211.78900 15.10172 3.17825 -211.59374 1123.28434
1245.0000 -227.15258 -214.58229 12.57029 3.10878 -213.03000 1069.94897
1250.0000 -225.54237 -214.82460 10.71777 3.04596 -214.32865 1004.19657
FREEZING PROCESS: loop number 6 T-loop= 981.00000000000000
main_MD> interactions number 6 at Temperature= 981.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.39201 0.35523 -1.35539
force_rgl> df(natom) 0.97566 0.81183 -1.23245
1255.0000 -229.35198 -216.19901 13.15297 2.98968 -215.49221 986.64065
1260.0000 -228.73422 -218.00992 10.72430 2.88315 -217.69464 929.46027
1265.0000 -229.57698 -216.26288 13.31410 2.87617 -217.83892 946.93044
1270.0000 -226.80735 -216.07149 10.73586 2.97205 -215.85663 994.78415
1275.0000 -230.60196 -219.29358 11.30838 2.85091 -218.36101 916.46471
1280.0000 -229.17384 -217.20884 11.96500 2.80483 -219.31365 895.27541
1285.0000 -226.74931 -215.47511 11.27420 2.95749 -216.15777 982.94056
1290.0000 -228.32247 -217.37590 10.94657 2.95960 -216.11402 973.92006
1295.0000 -227.19562 -215.03651 12.15911 2.98255 -215.63956 986.05385
1300.0000 -228.58973 -216.11992 12.46981 3.00591 -215.15669 995.93394
1305.0000 -229.86238 -220.06165 9.80073 2.87707 -217.82025 928.94243
1310.0000 -229.46380 -215.38934 14.07446 2.86786 -218.01066 925.55975
1315.0000 -228.75195 -216.83699 11.91496 2.90199 -217.30511 941.41493
1320.0000 -226.79171 -216.26541 10.52631 2.92804 -216.76662 944.79490
1325.0000 -226.53570 -213.99387 12.54183 2.98374 -215.61505 984.75836
1330.0000 -228.48301 -217.54643 10.93658 2.97809 -215.73179 966.64539
1335.0000 -226.17738 -215.26884 10.90854 2.97662 -215.76229 986.55428
1340.0000 -229.09293 -218.13294 10.95999 2.95730 -216.16159 992.32861
1345.0000 -227.46099 -214.38593 13.07506 2.98318 -215.62660 964.63384
1350.0000 -227.89038 -216.22468 11.66570 3.04061 -214.43935 1004.36902
1355.0000 -228.33858 -215.69126 12.64731 2.98961 -215.49361 989.84289
1360.0000 -226.91578 -212.90544 14.01034 3.02666 -214.72763 1023.63520
1365.0000 -226.76810 -215.23672 11.53138 3.10967 -213.01157 1091.06266
1370.0000 -229.27590 -217.60031 11.67559 2.96677 -215.96588 974.57191
1375.0000 -227.33662 -215.52141 11.81521 2.95470 -216.21546 964.58249
1380.0000 -227.52972 -214.23927 13.29045 3.01606 -214.94691 1013.27856
1385.0000 -228.20667 -217.03250 11.17417 3.02213 -214.82142 1027.48654
1390.0000 -228.08528 -216.67790 11.40738 2.85630 -218.24974 956.37222
1395.0000 -227.81887 -214.81018 13.00869 3.00989 -215.07435 1027.62426
1400.0000 -229.23347 -216.35267 12.88079 3.02429 -214.77666 1012.99414
1405.0000 -226.56524 -215.16870 11.39653 3.00454 -215.18501 1010.20785
1410.0000 -228.78695 -217.16132 11.62563 2.97509 -215.79389 1007.71732
1415.0000 -229.60906 -217.65514 11.95392 2.92285 -216.87373 966.75935
1420.0000 -228.12079 -216.84408 11.27671 2.88759 -217.60273 933.71386
1425.0000 -227.42761 -216.63175 10.79585 2.94129 -216.49253 976.54341
1430.0000 -227.18406 -217.49919 9.68487 2.91152 -217.10800 950.41534
1435.0000 -228.75770 -216.44982 12.30788 2.90575 -217.22743 930.97764
1440.0000 -229.79129 -216.11449 13.67680 2.92389 -216.85230 949.68147
1445.0000 -227.12421 -215.89461 11.22960 2.96234 -216.05737 977.31822
1450.0000 -228.06875 -215.39976 12.66899 2.96588 -215.98413 971.24310
1455.0000 -229.74914 -217.74440 12.00474 2.94089 -216.50091 956.95242
1460.0000 -227.45269 -215.94787 11.50482 2.90748 -217.19167 929.53778
1465.0000 -228.40107 -215.58011 12.82095 3.01038 -215.06428 981.30783
1470.0000 -227.15533 -214.22777 12.92756 3.04194 -214.41183 1026.80705
1475.0000 -227.34355 -215.28752 12.05602 2.98461 -215.59708 975.25656
1480.0000 -228.71823 -217.15386 11.56437 2.93074 -216.71071 986.52739
1485.0000 -227.82762 -215.83204 11.99558 2.91931 -216.94706 945.94437
1490.0000 -228.07454 -216.84917 11.22536 2.93880 -216.54410 951.92371
1495.0000 -229.48485 -216.71868 12.76616 2.97010 -215.89700 1003.54181
1500.0000 -228.13433 -216.07424 12.06009 2.97220 -215.85362 1003.18538
FREEZING PROCESS: loop number 7 T-loop= 956.00000000000000
main_MD> interactions number 7 at Temperature= 956.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -8.62168 -0.72186 -4.96430
force_rgl> df(natom) 4.06398 1.04636 1.38674
1505.0000 -228.46295 -216.53147 11.93147 2.96806 -215.93922 978.18965
1510.0000 -227.41211 -215.98395 11.42816 2.95820 -216.14300 995.26816
1515.0000 -226.56574 -215.05933 11.50641 2.98844 -215.51790 1013.32828
1520.0000 -227.62137 -216.00986 11.61151 3.01608 -214.94642 1016.23350
1525.0000 -230.62218 -218.74694 11.87524 2.87823 -217.79627 941.12899
1530.0000 -229.16986 -217.83346 11.33640 2.82553 -218.88578 899.43759
1535.0000 -226.90214 -213.06432 13.83782 2.96545 -215.99322 965.34986
1540.0000 -227.37516 -214.12850 13.24667 3.04311 -214.38755 1023.83172
1545.0000 -228.10562 -217.23819 10.86743 2.91706 -216.99360 939.66148
1550.0000 -230.04183 -218.63124 11.41059 2.89586 -217.43188 928.01517
1555.0000 -225.69258 -214.93243 10.76015 2.93136 -216.69798 975.95027
1560.0000 -229.44496 -217.74603 11.69893 2.90419 -217.25957 944.91497
1565.0000 -228.08010 -216.50820 11.57189 2.94617 -216.39176 958.57168
1570.0000 -229.91047 -218.62994 11.28054 2.88223 -217.71350 932.79400
1575.0000 -230.34687 -217.17007 13.17680 2.86032 -218.16648 916.47217
1580.0000 -227.66655 -216.85317 10.81338 2.96541 -215.99401 964.93082
1585.0000 -229.31054 -216.60136 12.70918 2.91959 -216.94117 966.48687
1590.0000 -227.71564 -218.29199 9.42364 2.88750 -217.60454 927.41317
1595.0000 -229.75681 -217.46561 12.29120 2.88745 -217.60574 940.21820
1600.0000 -230.75977 -218.94381 11.81596 2.89412 -217.46775 930.17098
1605.0000 -230.41500 -217.85618 12.55882 2.90264 -217.29174 948.76674
1610.0000 -229.35407 -219.18932 10.16476 2.82938 -218.80616 916.07186
1615.0000 -230.30789 -219.05870 11.24920 2.85501 -218.27631 955.32319
1620.0000 -227.11717 -216.90277 10.21440 2.91326 -217.07218 947.49588
1625.0000 -228.52792 -217.58111 10.94681 2.88523 -217.65150 921.68691
1630.0000 -227.99434 -216.35225 11.64208 2.90353 -217.27331 939.44210
1635.0000 -228.18000 -217.34455 10.83546 2.95795 -216.14825 971.86117
1640.0000 -227.60243 -216.63469 10.96773 2.89071 -217.53826 952.60349
1645.0000 -227.15652 -217.06052 10.09600 3.00101 -215.25800 984.26071
1650.0000 -229.80164 -217.37595 12.42569 2.88963 -217.56065 935.79031
1655.0000 -230.31077 -219.48393 10.82684 2.79321 -219.55388 893.62529
1660.0000 -229.85635 -220.40160 9.45475 2.79783 -219.45842 900.06968
1665.0000 -226.00976 -214.34462 11.66514 2.89805 -217.38663 929.98132
1670.0000 -229.21988 -215.97315 13.24674 3.05803 -214.07912 1031.08713
1675.0000 -226.40730 -214.03864 12.36866 3.02836 -214.69251 1010.99968
1680.0000 -226.99951 -214.61404 12.38547 3.02187 -214.82676 997.44826
1685.0000 -229.66163 -216.80809 12.85354 2.98020 -215.68814 985.63151
1690.0000 -229.51820 -217.43436 12.08384 2.91592 -217.01718 959.26311
1695.0000 -229.30726 -217.53323 11.77403 2.89722 -217.40367 949.84113
1700.0000 -230.39331 -217.94645 12.44686 2.84353 -218.51373 930.19131
1705.0000 -228.43825 -215.33531 13.10294 2.99145 -215.45564 1016.25189
1710.0000 -227.34930 -215.48213 11.86716 2.96239 -216.05634 959.02980
1715.0000 -227.72152 -216.32753 11.39399 3.03344 -214.58749 1021.84819
1720.0000 -228.87346 -215.73301 13.14046 2.96123 -216.08047 987.02661
1725.0000 -229.48575 -215.01807 14.46768 3.02364 -214.79016 1022.29551
1730.0000 -228.25683 -215.12889 13.12794 3.00647 -215.14510 993.96178
1735.0000 -227.78905 -217.18136 10.60769 2.97364 -215.82372 976.13363
1740.0000 -228.07774 -217.74554 10.33220 2.93580 -216.60611 950.42086
1745.0000 -227.96070 -217.68706 10.27364 2.88670 -217.62124 905.56649
1750.0000 -227.91908 -216.18335 11.73574 2.91041 -217.13110 924.89150
FREEZING PROCESS: loop number 8 T-loop= 931.00000000000000
main_MD> interactions number 8 at Temperature= 931.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12046 0.92380 3.49436
force_rgl> df(natom) 0.42583 -1.02067 -3.44239
1755.0000 -226.99209 -216.35585 10.63624 2.90054 -217.33502 908.03371
1760.0000 -228.28797 -216.05160 12.23638 2.92283 -216.87417 951.10608
1765.0000 -228.20461 -217.14939 11.05522 2.91694 -216.99593 926.78561
1770.0000 -227.38377 -215.20896 12.17482 2.97934 -215.70601 969.51808
1775.0000 -228.69358 -217.79238 10.90120 2.96859 -215.92816 982.13794
1780.0000 -228.71629 -216.88845 11.82784 2.85388 -218.29971 894.64660
1785.0000 -230.30841 -219.01605 11.29237 2.85230 -218.33241 889.99817
1790.0000 -228.78663 -216.12249 12.66414 2.89812 -217.38506 954.91668
1795.0000 -227.78569 -215.98939 11.79630 2.91210 -217.09606 956.34071
1800.0000 -228.36072 -217.34188 11.01884 2.94254 -216.46672 962.52754
1805.0000 -228.68081 -215.84452 12.83629 2.94199 -216.47805 951.89213
1810.0000 -229.04656 -215.93233 13.11422 2.98809 -215.52499 989.64380
1815.0000 -226.23193 -214.70771 11.52422 2.96322 -216.03915 995.44792
1820.0000 -226.88115 -214.84456 12.03659 3.00405 -215.19503 992.48676
1825.0000 -228.78684 -216.92989 11.85695 2.96250 -216.05401 965.21201
1830.0000 -228.51717 -217.66467 10.85249 2.87801 -217.80076 916.06617
1835.0000 -228.01216 -216.10916 11.90300 2.92619 -216.80468 967.28313
1840.0000 -228.04055 -217.06368 10.97686 2.92723 -216.78335 968.96136
1845.0000 -229.19075 -217.75139 11.43935 2.90073 -217.33107 918.58125
1850.0000 -229.90355 -218.04771 11.85585 2.83663 -218.65636 899.74357
1855.0000 -230.62797 -220.00183 10.62614 2.84078 -218.57055 908.82275
1860.0000 -228.24930 -216.15041 12.09889 2.86292 -218.11277 914.57249
1865.0000 -227.35268 -217.28046 10.07222 2.91082 -217.12255 958.24842
1870.0000 -227.78342 -216.41684 11.36658 2.92418 -216.84633 963.42904
1875.0000 -228.98225 -219.23855 9.74370 2.84545 -218.47395 914.32839
1880.0000 -226.77207 -214.30736 12.46472 2.89979 -217.35052 953.68415
1885.0000 -226.31320 -215.42587 10.88733 3.04384 -214.37258 1060.29020
1890.0000 -227.54025 -215.95296 11.58729 2.96740 -215.95284 973.87005
1895.0000 -227.99071 -216.81830 11.17241 2.91360 -217.06516 960.85327
1900.0000 -229.09244 -217.47394 11.61850 2.91591 -217.01721 929.21506
1905.0000 -229.08619 -217.67158 11.41462 2.90377 -217.26827 943.02898
1910.0000 -231.09709 -220.81766 10.27942 2.76864 -220.06201 870.92235
1915.0000 -230.42923 -218.92456 11.50466 2.78137 -219.79878 877.96210
1920.0000 -229.88023 -220.17390 9.70633 2.81136 -219.17881 889.14352
1925.0000 -229.61998 -216.27685 13.34312 2.86283 -218.11464 935.07640
1930.0000 -228.34094 -217.27507 11.06587 2.94642 -216.38648 969.91274
1935.0000 -229.87445 -217.88430 11.99015 2.89058 -217.54100 952.50662
1940.0000 -227.95623 -216.42759 11.52864 2.88163 -217.72591 940.80657
1945.0000 -227.86701 -217.07613 10.79088 2.84526 -218.47783 914.86565
1950.0000 -231.13623 -220.47805 10.65818 2.84628 -218.45689 923.61924
1955.0000 -230.13552 -218.21042 11.92510 2.78786 -219.66458 877.51503
1960.0000 -230.22408 -219.86768 10.35640 2.78109 -219.80455 887.67698
1965.0000 -228.06245 -217.45566 10.60679 2.79942 -219.42549 885.56839
1970.0000 -230.49593 -218.46228 12.03365 2.88701 -217.61485 931.05498
1975.0000 -230.46575 -218.91628 11.54947 2.88252 -217.70768 937.10686
1980.0000 -227.99633 -216.84234 11.15399 2.87194 -217.92637 943.79584
1985.0000 -229.44127 -218.49584 10.94544 2.86429 -218.08448 921.69668
1990.0000 -229.49145 -216.69152 12.79993 2.86038 -218.16522 932.06051
1995.0000 -229.36282 -216.81534 12.54747 2.91048 -217.12948 943.00744
2000.0000 -226.73116 -214.74106 11.99010 2.90496 -217.24364 949.20479
FREEZING PROCESS: loop number 9 T-loop= 906.00000000000000
main_MD> interactions number 9 at Temperature= 906.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34603 -1.01974 -2.80979
force_rgl> df(natom) 2.25404 1.68348 -1.82226
2005.0000 -226.78343 -213.80717 12.97626 3.05690 -214.10261 1045.04800
2010.0000 -229.20726 -216.45484 12.75242 2.99144 -215.45589 975.84711
2015.0000 -228.30361 -217.28959 11.01402 2.95034 -216.30555 975.91881
2020.0000 -229.75962 -216.85303 12.90659 2.93738 -216.57348 974.30561
2025.0000 -230.60655 -218.38282 12.22373 2.90263 -217.29180 967.56796
2030.0000 -230.13461 -218.82424 11.31037 2.86856 -217.99619 935.03923
2035.0000 -228.94159 -216.87670 12.06489 2.84324 -218.51974 922.32330
2040.0000 -228.44852 -217.62326 10.82526 2.89809 -217.38577 948.83292
2045.0000 -230.06002 -220.09797 9.96206 2.85325 -218.31266 934.25248
2050.0000 -230.68400 -220.62643 10.05757 2.72982 -220.86445 844.59760
2055.0000 -230.01914 -218.49031 11.52883 2.79904 -219.43341 890.52045
2060.0000 -228.83501 -218.99853 9.83648 2.86190 -218.13380 936.41710
2065.0000 -228.62425 -218.65931 9.96494 2.80179 -219.37653 868.77974
2070.0000 -230.24796 -220.13708 10.11088 2.77423 -219.94631 835.32702
2075.0000 -229.40799 -219.91380 9.49419 2.79667 -219.48238 850.69059
2080.0000 -229.31326 -218.58909 10.72418 2.80974 -219.21228 881.92378
2085.0000 -229.63765 -219.00524 10.63241 2.88865 -217.58096 948.84493
2090.0000 -229.32005 -219.24151 10.07854 2.79300 -219.55825 866.15559
2095.0000 -230.35874 -219.34426 11.01448 2.77191 -219.99442 862.50999
2100.0000 -229.57718 -217.72916 11.84802 2.84321 -218.52025 914.39359
2105.0000 -229.74325 -218.26737 11.47588 2.88170 -217.72450 932.19649
2110.0000 -230.64649 -217.96934 12.67715 2.85220 -218.33441 912.37175
2115.0000 -228.34890 -218.34135 10.00755 2.86395 -218.09157 922.95212
2120.0000 -232.12827 -221.22783 10.90044 2.78584 -219.70629 864.59214
2125.0000 -229.03141 -218.09018 10.94123 2.80966 -219.21395 885.28997
2130.0000 -229.89080 -220.11579 9.77501 2.86345 -218.10177 930.12493
2135.0000 -230.30304 -220.30266 10.00038 2.74624 -220.52508 870.95046
2140.0000 -230.72864 -220.07777 10.65087 2.78563 -219.71065 870.97872
2145.0000 -229.09346 -218.32917 10.76429 2.79301 -219.55804 890.17249
2150.0000 -229.23437 -216.66630 12.56807 2.86156 -218.14096 927.47876
2155.0000 -229.35493 -217.82497 11.52996 2.92232 -216.88473 960.18721
2160.0000 -231.24689 -221.22289 10.02400 2.75680 -220.30668 852.19102
2165.0000 -231.36474 -220.43394 10.93080 2.75591 -220.32515 864.87586
2170.0000 -228.53593 -218.93123 9.60470 2.76621 -220.11216 841.55581
2175.0000 -229.45512 -218.28235 11.17276 2.85308 -218.31614 935.49578
2180.0000 -231.73743 -219.89648 11.84096 2.80794 -219.24948 900.09179
2185.0000 -231.06187 -219.96576 11.09611 2.78229 -219.77973 880.87830
2190.0000 -229.24553 -219.12461 10.12092 2.80503 -219.30950 903.37564
2195.0000 -232.33777 -221.57240 10.76537 2.74494 -220.55184 854.92097
2200.0000 -230.55026 -220.57654 9.97372 2.75969 -220.24685 866.13570
2205.0000 -230.06678 -218.88675 11.18003 2.80036 -219.40617 865.20939
2210.0000 -230.13388 -218.52728 11.60660 2.84275 -218.52988 890.79154
2215.0000 -228.98187 -217.03191 11.94996 2.88049 -217.74962 932.76807
2220.0000 -229.61817 -218.02870 11.58947 2.87558 -217.85117 929.41379
2225.0000 -227.65554 -217.04877 10.60677 2.87109 -217.94387 907.41375
2230.0000 -231.07428 -219.20207 11.87221 2.86033 -218.16627 921.60188
2235.0000 -228.25620 -216.60646 11.64974 2.86567 -218.05599 916.62162
2240.0000 -229.19503 -218.06103 11.13400 2.87906 -217.77919 944.61356
2245.0000 -228.29485 -215.09873 13.19612 2.90231 -217.29839 951.78162
2250.0000 -229.47413 -217.77704 11.69710 2.97389 -215.81867 1002.91794
FREEZING PROCESS: loop number 10 T-loop= 881.00000000000000
main_MD> interactions number 10 at Temperature= 881.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27925 -2.77475 -1.04929
force_rgl> df(natom) -3.18965 -2.25787 -1.52527
2255.0000 -229.60797 -218.06196 11.54601 2.82156 -218.96790 910.70454
2260.0000 -231.41879 -219.63170 11.78709 2.84249 -218.53527 922.45468
2265.0000 -231.34822 -220.16207 11.18616 2.79185 -219.58213 882.40037
2270.0000 -230.82567 -220.45566 10.37001 2.74534 -220.54353 841.69345
2275.0000 -230.21795 -220.72812 9.48984 2.72059 -221.05520 813.10219
2280.0000 -229.47396 -219.81089 9.66308 2.80211 -219.36992 885.45821
2285.0000 -229.41778 -219.21476 10.20302 2.77919 -219.84391 878.85413
2290.0000 -230.48294 -220.07050 10.41244 2.80911 -219.22526 878.39703
2295.0000 -229.36439 -217.62406 11.74033 2.75023 -220.44245 853.25734
2300.0000 -231.76883 -222.08218 9.68665 2.81188 -219.16802 892.99204
2305.0000 -231.96397 -222.50631 9.45765 2.67960 -221.90276 816.37779
2310.0000 -231.02022 -221.76741 9.25280 2.65285 -222.45568 805.35501
2315.0000 -229.72006 -219.52742 10.19264 2.78435 -219.73717 863.73130
2320.0000 -229.78626 -219.11687 10.66940 2.77895 -219.84874 867.83694
2325.0000 -231.59693 -220.15864 11.43829 2.81006 -219.20560 901.21420
2330.0000 -232.64835 -223.04051 9.60784 2.73313 -220.79606 855.25049
2335.0000 -230.77593 -219.55938 11.21655 2.69762 -221.53015 829.86118
2340.0000 -227.23282 -217.18971 10.04311 2.85943 -218.18497 914.25514
2345.0000 -227.11103 -215.74546 11.36558 2.93956 -216.52830 958.74574
2350.0000 -227.75139 -215.44148 12.30991 2.96445 -216.01380 985.83445
2355.0000 -229.45185 -219.30202 10.14983 2.89558 -217.43765 959.04556
2360.0000 -229.40673 -218.81008 10.59665 2.80032 -219.40696 896.09237
2365.0000 -230.30261 -217.60388 12.69873 2.83467 -218.69685 894.99965
2370.0000 -232.43494 -221.39267 11.04227 2.80849 -219.23816 886.84296
2375.0000 -229.61555 -219.95258 9.66297 2.74831 -220.48222 862.74354
2380.0000 -232.02571 -221.03314 10.99257 2.72574 -220.94886 853.56162
2385.0000 -231.80626 -221.01447 10.79179 2.70297 -221.41965 822.42960
2390.0000 -231.02412 -219.84706 11.17706 2.76572 -220.12220 859.08462
2395.0000 -229.12366 -216.62813 12.49553 2.86816 -218.00449 916.82933
2400.0000 -230.18621 -220.11047 10.07573 2.82555 -218.88534 897.06192
2405.0000 -229.61721 -217.69971 11.91749 2.86337 -218.10345 911.15665
2410.0000 -229.95875 -218.89146 11.06729 2.79342 -219.54955 874.60528
2415.0000 -229.62394 -218.10441 11.51954 2.81298 -219.14523 871.06416
2420.0000 -232.64180 -221.02632 11.61548 2.77073 -220.01864 869.41826
2425.0000 -231.35632 -219.67246 11.68386 2.80412 -219.32848 920.13670
2430.0000 -233.47996 -220.81922 12.66074 2.72501 -220.96398 824.30119
2435.0000 -232.62257 -222.56379 10.05878 2.69214 -221.64354 828.33055
2440.0000 -231.79990 -220.63926 11.16064 2.72980 -220.86499 853.71032
2445.0000 -230.30237 -219.06907 11.23329 2.79038 -219.61252 889.66435
2450.0000 -230.39486 -217.53546 12.85939 2.84065 -218.57323 930.56590
2455.0000 -230.34007 -219.54447 10.79560 2.80746 -219.25943 897.15001
2460.0000 -232.74993 -221.55198 11.19796 2.78020 -219.82291 854.77834
2465.0000 -229.31361 -220.88190 8.43171 2.71798 -221.10918 839.04765
2470.0000 -230.84178 -220.43711 10.40467 2.75734 -220.29562 852.71224
2475.0000 -229.42902 -218.52416 10.90486 2.81906 -219.01963 899.46486
2480.0000 -229.78880 -218.97676 10.81204 2.80925 -219.22245 897.01935
2485.0000 -227.90497 -217.06698 10.83799 2.86544 -218.06073 905.96849
2490.0000 -230.78842 -219.27273 11.51569 2.88940 -217.56537 921.79770
2495.0000 -230.70257 -220.74490 9.95766 2.78174 -219.79101 861.11832
2500.0000 -231.16412 -219.95303 11.21110 2.75770 -220.28800 866.64949
FREEZING PROCESS: loop number 11 T-loop= 856.00000000000000
main_MD> interactions number 11 at Temperature= 856.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74132 -1.96199 -0.36923
force_rgl> df(natom) -2.63698 -2.35131 1.47900
2505.0000 -230.39350 -220.12956 10.26394 2.74680 -220.51347 842.72945
2510.0000 -231.86289 -220.22548 11.63741 2.79744 -219.46658 846.59541
2515.0000 -232.42251 -223.11094 9.31157 2.68315 -221.82930 822.72998
2520.0000 -230.91421 -222.15999 8.75422 2.63813 -222.76011 803.31731
2525.0000 -230.08778 -221.28383 8.80394 2.69787 -221.52508 831.98951
2530.0000 -231.04721 -220.38942 10.65779 2.69710 -221.54101 822.38187
2535.0000 -230.42243 -220.09924 10.32319 2.73653 -220.72583 866.86251
2540.0000 -231.43030 -220.46718 10.96312 2.75768 -220.28844 876.64358
2545.0000 -231.13458 -221.58903 9.54555 2.75348 -220.37532 850.76934
2550.0000 -232.03700 -222.63616 9.40084 2.68095 -221.87482 820.89448
2555.0000 -230.81034 -221.05130 9.75904 2.68761 -221.73706 808.98339
2560.0000 -230.73711 -220.48226 10.25485 2.74846 -220.47910 844.34042
2565.0000 -230.43757 -220.63292 9.80465 2.78189 -219.78804 857.53498
2570.0000 -230.11332 -220.28942 9.82391 2.77181 -219.99646 878.68163
2575.0000 -230.80547 -219.13414 11.67133 2.79138 -219.59172 882.36418
2580.0000 -228.68417 -218.22163 10.46255 2.85712 -218.23269 915.14053
2585.0000 -229.32246 -219.10722 10.21524 2.80496 -219.31100 880.35009
2590.0000 -229.22672 -218.66208 10.56464 2.83008 -218.79168 907.34361
2595.0000 -231.93413 -220.90770 11.02643 2.78352 -219.75429 869.79179
2600.0000 -231.70201 -222.92526 8.77675 2.67328 -222.03331 808.72896
2605.0000 -229.87285 -219.86730 10.00554 2.66587 -222.18651 788.81746
2610.0000 -230.49790 -218.10669 12.39121 2.83294 -218.73269 899.29672
2615.0000 -229.98048 -219.68783 10.29265 2.80115 -219.38987 888.64151
2620.0000 -229.61897 -220.28773 9.33123 2.79184 -219.58233 873.97363
2625.0000 -231.69175 -220.28282 11.40893 2.79693 -219.47703 895.18462
2630.0000 -230.62983 -219.87016 10.75968 2.75423 -220.35982 869.14317
2635.0000 -231.73050 -221.91891 9.81159 2.76272 -220.18437 871.92433
2640.0000 -232.17339 -222.36099 9.81239 2.65007 -222.51322 810.72703
2645.0000 -232.54169 -219.28401 13.25769 2.70929 -221.28900 835.03035
2650.0000 -229.42847 -219.29439 10.13408 2.79225 -219.57378 887.43775
2655.0000 -230.89237 -218.44504 12.44732 2.84777 -218.42602 905.85020
2660.0000 -229.84816 -219.50958 10.33858 2.79289 -219.56054 874.50666
2665.0000 -229.84286 -218.99091 10.85195 2.81241 -219.15698 891.39272
2670.0000 -230.71046 -221.16706 9.54340 2.75749 -220.29233 863.24836
2675.0000 -229.65961 -219.63935 10.02026 2.79178 -219.58363 859.82553
2680.0000 -231.07444 -221.15810 9.91635 2.75260 -220.39345 880.79977
2685.0000 -232.27229 -221.62342 10.64887 2.69822 -221.51778 835.80323
2690.0000 -231.56005 -222.09033 9.46972 2.73203 -220.81878 858.53726
2695.0000 -231.15286 -220.99661 10.15625 2.67196 -222.06072 812.93753
2700.0000 -232.26952 -221.58084 10.68868 2.69452 -221.59429 845.82435
2705.0000 -233.12906 -221.64233 11.48674 2.73157 -220.82826 869.35509
2710.0000 -230.79398 -221.26253 9.53144 2.68567 -221.77730 832.55940
2715.0000 -230.81182 -219.22066 11.59116 2.74926 -220.46260 855.70215
2720.0000 -232.79617 -223.61042 9.18576 2.75760 -220.29015 852.27977
2725.0000 -229.89687 -219.11479 10.78208 2.71650 -221.13978 847.90459
2730.0000 -229.60512 -218.86182 10.74330 2.82717 -218.85182 886.75668
2735.0000 -231.29291 -220.34488 10.94803 2.77732 -219.88243 876.80787
2740.0000 -232.92659 -222.25427 10.67232 2.74175 -220.61779 860.39681
2745.0000 -231.32918 -220.13478 11.19440 2.73047 -220.85104 842.79884
2750.0000 -230.70791 -220.53594 10.17197 2.69903 -221.50097 827.33063
FREEZING PROCESS: loop number 12 T-loop= 831.00000000000000
main_MD> interactions number 12 at Temperature= 831.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32675 -4.50668 -0.50864
force_rgl> df(natom) 0.55872 -2.42217 -2.48869
2755.0000 -229.11412 -219.40212 9.71200 2.74202 -220.61216 858.37785
2760.0000 -231.53393 -219.42447 12.10946 2.75935 -220.25391 860.27176
2765.0000 -230.53557 -220.23665 10.29892 2.74636 -220.52259 872.68906
2770.0000 -232.37385 -221.36245 11.01140 2.69767 -221.52904 828.03316
2775.0000 -230.38917 -223.30825 7.08092 2.67230 -222.05365 797.87253
2780.0000 -231.89757 -222.49164 9.40593 2.62232 -223.08684 770.54808
2785.0000 -232.21424 -222.88630 9.32794 2.68206 -221.85179 779.38097
2790.0000 -231.48151 -222.60483 8.87667 2.63436 -222.83795 786.32021
2795.0000 -233.85599 -222.57456 11.28143 2.64741 -222.56821 806.79353
2800.0000 -231.20923 -221.74563 9.46360 2.65356 -222.44107 785.22137
2805.0000 -230.90823 -220.74441 10.16383 2.72003 -221.06680 826.14605
2810.0000 -229.73667 -220.22530 9.51136 2.73601 -220.73660 842.27627
2815.0000 -231.41029 -221.04479 10.36549 2.75416 -220.36133 851.91630
2820.0000 -230.25707 -217.91190 12.34517 2.77978 -219.83164 881.09158
2825.0000 -229.14030 -219.06570 10.07460 2.82531 -218.89042 890.70877
2830.0000 -230.97230 -221.16045 9.81185 2.76354 -220.16728 845.79861
2835.0000 -231.87443 -221.15839 10.71604 2.72123 -221.04197 814.47299
2840.0000 -230.62577 -220.71400 9.91177 2.72295 -221.00650 835.07759
2845.0000 -232.01634 -221.47058 10.54575 2.75770 -220.28815 873.20023
2850.0000 -232.72686 -222.85519 9.87167 2.68289 -221.83462 830.89908
2855.0000 -231.46562 -221.05662 10.40900 2.68546 -221.78164 846.64378
2860.0000 -232.22405 -222.56809 9.65596 2.70245 -221.43032 829.79738
2865.0000 -232.89407 -223.02905 9.86503 2.61459 -223.24680 782.38004
2870.0000 -232.47172 -222.05878 10.41294 2.68493 -221.79250 821.25581
2875.0000 -232.73713 -223.61542 9.12171 2.66975 -222.10637 793.46035
2880.0000 -232.63476 -222.16322 10.47154 2.67569 -221.98358 828.46427
2885.0000 -231.29176 -221.33627 9.95549 2.66795 -222.14361 799.83233
2890.0000 -230.46694 -221.58243 8.88450 2.69891 -221.50360 829.07955
2895.0000 -231.76366 -221.07244 10.69121 2.72824 -220.89718 849.59791
2900.0000 -230.85493 -220.97505 9.87988 2.72930 -220.87515 868.16843
2905.0000 -231.53493 -221.75537 9.77956 2.73708 -220.71430 845.55589
2910.0000 -232.20725 -222.34938 9.85787 2.67425 -222.01336 815.28376
2915.0000 -229.63846 -218.91445 10.72400 2.70875 -221.30014 815.81366
2920.0000 -231.40717 -221.61828 9.78889 2.75083 -220.43016 857.50714
2925.0000 -230.45122 -221.54189 8.90933 2.67118 -222.07679 821.39464
2930.0000 -232.76195 -222.51339 10.24855 2.68126 -221.86848 818.31652
2935.0000 -231.09926 -220.39994 10.69932 2.72714 -220.91989 838.95571
2940.0000 -231.84032 -221.18243 10.65789 2.75135 -220.41939 849.07173
2945.0000 -231.88796 -221.92959 9.95837 2.72953 -220.87037 843.08137
2950.0000 -232.92376 -223.42290 9.50087 2.65320 -222.44844 788.21384
2955.0000 -229.10018 -217.93306 11.16712 2.79356 -219.54674 876.78591
2960.0000 -229.25995 -219.66738 9.59257 2.82240 -218.95052 862.66717
2965.0000 -231.72288 -222.19649 9.52639 2.72224 -221.02123 832.23883
2970.0000 -230.59283 -220.67686 9.91597 2.71752 -221.11875 831.55532
2975.0000 -230.30739 -219.46223 10.84516 2.75821 -220.27755 860.28513
2980.0000 -229.51584 -220.11006 9.40577 2.82028 -218.99425 888.76291
2985.0000 -230.75852 -220.14641 10.61210 2.76017 -220.23712 867.90879
2990.0000 -231.16783 -221.13701 10.03082 2.71754 -221.11832 837.62787
2995.0000 -230.57517 -221.18035 9.39482 2.71561 -221.15816 825.31119
3000.0000 -231.70969 -220.86165 10.84804 2.71335 -221.20498 847.31915
FREEZING PROCESS: loop number 13 T-loop= 806.00000000000000
main_MD> interactions number 13 at Temperature= 806.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.24137 -0.87642 -0.51718
force_rgl> df(natom) -0.73150 4.17744 0.93488
3005.0000 -232.08551 -220.41208 11.67343 2.75145 -220.41720 852.58688
3010.0000 -232.54764 -222.27486 10.27278 2.72007 -221.06609 836.06760
3015.0000 -233.42643 -222.73940 10.68703 2.64474 -222.62338 793.12240
3020.0000 -233.99430 -221.66090 12.33339 2.69558 -221.57234 818.33676
3025.0000 -233.15700 -223.33412 9.82288 2.63576 -222.80911 795.54938
3030.0000 -231.74356 -222.29560 9.44796 2.63075 -222.91253 793.73693
3035.0000 -230.88613 -220.51872 10.36742 2.68243 -221.84417 804.78812
3040.0000 -231.36262 -221.46430 9.89832 2.70601 -221.35678 822.82393
3045.0000 -231.84078 -222.05905 9.78173 2.65262 -222.46048 781.50296
3050.0000 -231.74305 -220.98870 10.75435 2.65322 -222.44811 780.01520
3055.0000 -230.73250 -219.45258 11.27992 2.72883 -220.88485 840.83821
3060.0000 -230.35294 -218.89002 11.46292 2.78138 -219.79847 885.97549
3065.0000 -231.20002 -221.27394 9.92608 2.75753 -220.29169 858.59064
3070.0000 -232.18181 -221.40858 10.77324 2.75092 -220.42831 856.41842
3075.0000 -233.04023 -223.43459 9.60564 2.69763 -221.52994 818.11687
3080.0000 -232.23400 -222.12016 10.11383 2.67462 -222.00558 805.92717
3085.0000 -231.87968 -222.17615 9.70353 2.68268 -221.83895 810.59681
3090.0000 -229.66951 -220.11900 9.55051 2.69129 -221.66094 802.23983
3095.0000 -230.66729 -219.91179 10.75550 2.74422 -220.56685 861.78038
3100.0000 -232.44220 -222.40461 10.03760 2.73688 -220.71845 852.67861
3105.0000 -233.20622 -223.37906 9.82716 2.64473 -222.62370 811.37482
3110.0000 -232.21018 -222.19312 10.01706 2.66093 -222.28870 810.05844
3115.0000 -231.65840 -222.14294 9.51547 2.66036 -222.30039 801.06600
3120.0000 -231.70300 -221.45204 10.25096 2.68713 -221.74709 805.82606
3125.0000 -231.81031 -221.90795 9.90236 2.69227 -221.64077 821.29656
3130.0000 -232.82076 -222.02181 10.79895 2.65029 -222.50859 787.46188
3135.0000 -232.77900 -222.10570 10.67331 2.70835 -221.30842 833.66946
3140.0000 -231.71130 -221.94331 9.76799 2.68663 -221.75742 805.52055
3145.0000 -232.57315 -221.77515 10.79800 2.66169 -222.27292 787.67822
3150.0000 -231.16388 -222.24837 8.91551 2.66901 -222.12162 798.68594
3155.0000 -232.81579 -222.77188 10.04391 2.63986 -222.72426 784.12620
3160.0000 -232.63205 -223.92195 8.71010 2.64722 -222.57221 803.43024
3165.0000 -232.09332 -222.43890 9.65442 2.62541 -223.02310 787.39022
3170.0000 -232.10193 -222.55169 9.55023 2.60189 -223.50931 776.94874
3175.0000 -230.66290 -220.36289 10.30001 2.68268 -221.83913 810.26149
3180.0000 -231.28754 -221.46728 9.82026 2.74010 -220.65196 830.78253
3185.0000 -232.04408 -222.61262 9.43145 2.68379 -221.81608 798.54640
3190.0000 -231.90981 -222.96134 8.94848 2.65064 -222.50133 779.91982
3195.0000 -231.08271 -221.25924 9.82347 2.64215 -222.67686 777.42625
3200.0000 -232.25108 -222.79222 9.45886 2.66223 -222.26176 791.40835
3205.0000 -232.37884 -222.11152 10.26732 2.65168 -222.47987 802.51140
3210.0000 -230.97437 -221.30861 9.66576 2.66981 -222.10509 791.23220
3215.0000 -232.75354 -224.24843 8.50511 2.68218 -221.84939 814.82123
3220.0000 -232.74412 -224.42233 8.32178 2.54539 -224.67741 738.96873
3225.0000 -233.78791 -225.00727 8.78064 2.49490 -225.72118 716.50117
3230.0000 -232.89330 -222.96783 9.92547 2.58389 -223.88131 786.33682
3235.0000 -229.68224 -220.52805 9.15418 2.69136 -221.65955 833.37778
3240.0000 -231.58405 -222.29567 9.28838 2.70334 -221.41200 823.81616
3245.0000 -232.41796 -222.81685 9.60111 2.64769 -222.56236 803.43184
3250.0000 -232.25286 -222.94464 9.30822 2.57195 -224.12831 752.66894
FREEZING PROCESS: loop number 14 T-loop= 781.00000000000000
main_MD> interactions number 14 at Temperature= 781.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.45321 -0.28221 1.48567
force_rgl> df(natom) -0.41108 1.00474 0.82668
3255.0000 -232.60662 -223.85940 8.74722 2.59313 -223.69037 775.22145
3260.0000 -232.34470 -222.12834 10.21635 2.60300 -223.48630 764.28046
3265.0000 -232.64618 -222.94944 9.69674 2.64804 -222.55514 797.77302
3270.0000 -231.61231 -222.21693 9.39538 2.65123 -222.48916 794.60721
3275.0000 -230.71755 -221.34437 9.37318 2.66812 -222.14005 805.43229
3280.0000 -232.10566 -222.02202 10.08364 2.65982 -222.31167 820.70102
3285.0000 -232.34514 -222.96809 9.37706 2.64846 -222.54644 799.24715
3290.0000 -232.89376 -223.25119 9.64257 2.62229 -223.08746 783.83558
3295.0000 -232.69497 -223.49451 9.20046 2.58973 -223.76063 761.32875
3300.0000 -233.05667 -223.39657 9.66010 2.56643 -224.24245 755.85355
3305.0000 -234.23702 -223.41240 10.82463 2.62874 -222.95415 775.05175
3310.0000 -232.22702 -223.42208 8.80494 2.63902 -222.74171 770.92244
3315.0000 -231.99957 -223.27624 8.72333 2.61366 -223.26602 785.02976
3320.0000 -231.96719 -223.20420 8.76299 2.63906 -222.74081 776.09115
3325.0000 -232.57399 -222.55892 10.01508 2.59922 -223.56446 763.24542
3330.0000 -233.32373 -223.62284 9.70089 2.57296 -224.10735 746.44745
3335.0000 -233.06356 -223.66867 9.39489 2.59456 -223.66083 778.86397
3340.0000 -232.76209 -222.69833 10.06376 2.61482 -223.24196 787.95144
3345.0000 -232.27537 -222.40498 9.87039 2.63727 -222.77780 807.71176
3350.0000 -232.99689 -224.24075 8.75614 2.64481 -222.62195 803.58174
3355.0000 -232.87546 -223.52477 9.35068 2.56772 -224.21576 732.71555
3360.0000 -232.95490 -224.00344 8.95146 2.58473 -223.86402 755.43432
3365.0000 -232.59962 -223.95171 8.64791 2.57349 -224.09639 754.90405
3370.0000 -232.80470 -223.52782 9.27688 2.57082 -224.15158 739.62314
3375.0000 -232.33466 -222.58178 9.75288 2.60929 -223.35623 786.15915
3380.0000 -233.74922 -224.08445 9.66477 2.58874 -223.78106 773.52337
3385.0000 -233.74237 -223.95918 9.78319 2.57205 -224.12616 751.57272
3390.0000 -233.60223 -223.69280 9.90943 2.55732 -224.43077 752.23998
3395.0000 -233.84363 -223.04521 10.79842 2.63356 -222.85446 799.54800
3400.0000 -232.68480 -221.61807 11.06673 2.63904 -222.74115 787.90878
3405.0000 -230.56120 -221.78766 8.77354 2.72330 -220.99917 845.25943
3410.0000 -232.06080 -221.07871 10.98209 2.72949 -220.87121 843.46521
3415.0000 -232.31679 -222.85342 9.46338 2.67832 -221.92919 804.43201
3420.0000 -229.61929 -220.43345 9.18584 2.68709 -221.74787 802.37705
3425.0000 -232.64822 -222.19699 10.45123 2.74977 -220.45209 860.92459
3430.0000 -231.84718 -222.12461 9.72256 2.65220 -222.46920 796.71341
3435.0000 -232.02023 -222.45213 9.56810 2.67946 -221.90550 792.18788
3440.0000 -231.91084 -223.48850 8.42234 2.62585 -223.01392 787.05620
3445.0000 -231.39775 -221.59272 9.80503 2.63928 -222.73628 794.93330
3450.0000 -229.89630 -219.00483 10.89146 2.77311 -219.96957 869.55410
3455.0000 -232.74430 -223.12278 9.62152 2.73435 -220.77087 828.02587
3460.0000 -231.10666 -221.60393 9.50273 2.65185 -222.47640 782.21501
3465.0000 -232.08044 -224.26115 7.81929 2.61263 -223.28725 746.28474
3470.0000 -232.22148 -223.59579 8.62569 2.56036 -224.36785 716.31475
3475.0000 -233.08411 -224.21217 8.87193 2.60889 -223.36447 754.99620
3480.0000 -234.04695 -223.70604 10.34091 2.58105 -223.94020 755.96742
3485.0000 -233.34145 -224.01760 9.32386 2.56331 -224.30683 754.17746
3490.0000 -233.22590 -224.60139 8.62451 2.56812 -224.20751 737.62277
3495.0000 -234.44319 -224.43299 10.01021 2.57318 -224.10275 760.39054
3500.0000 -232.59784 -223.19968 9.39816 2.59331 -223.68663 790.04707
FREEZING PROCESS: loop number 15 T-loop= 756.00000000000000
main_MD> interactions number 15 at Temperature= 756.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.60852 1.26531 0.72717
force_rgl> df(natom) -0.08679 2.90029 -1.75333
3505.0000 -232.71656 -223.42870 9.28787 2.61115 -223.31791 789.17096
3510.0000 -233.68586 -225.27835 8.40751 2.54777 -224.62815 746.66385
3515.0000 -234.90722 -226.38853 8.51869 2.48339 -225.95918 694.54426
3520.0000 -234.69482 -227.29458 7.40024 2.45337 -226.57968 683.01661
3525.0000 -235.41381 -226.50758 8.90623 2.42701 -227.12464 662.84149
3530.0000 -231.40586 -224.52740 6.87846 2.51454 -225.31501 728.89183
3535.0000 -233.68547 -224.26590 9.41957 2.56250 -224.32368 750.28296
3540.0000 -233.53763 -223.87256 9.66507 2.56923 -224.18445 752.83179
3545.0000 -232.07698 -222.67842 9.39856 2.65954 -222.31742 810.24404
3550.0000 -234.81057 -225.26178 9.54879 2.57462 -224.07302 773.36223
3555.0000 -235.12103 -225.47178 9.64925 2.52870 -225.02243 714.99632
3560.0000 -234.29992 -224.97259 9.32733 2.47850 -226.06014 683.15928
3565.0000 -232.83975 -224.67815 8.16160 2.55187 -224.54333 743.57652
3570.0000 -233.34780 -224.84491 8.50288 2.54431 -224.69973 740.75791
3575.0000 -232.36190 -223.44484 8.91706 2.57231 -224.12086 766.66650
3580.0000 -232.18506 -222.36002 9.82505 2.67465 -222.00499 822.07651
3585.0000 -231.98125 -221.44771 10.53354 2.65150 -222.48362 798.87392
3590.0000 -232.56679 -223.25889 9.30789 2.67923 -221.91041 812.91850
3595.0000 -232.08273 -222.69680 9.38593 2.61453 -223.24795 767.90504
3600.0000 -232.35528 -223.02651 9.32877 2.62816 -222.96623 782.50689
3605.0000 -233.68373 -224.57880 9.10494 2.55857 -224.40475 732.02897
3610.0000 -233.13046 -222.62071 10.50974 2.62186 -223.09642 777.61722
3615.0000 -231.89438 -221.06507 10.82930 2.68016 -221.89119 802.25459
3620.0000 -233.35676 -224.17248 9.18427 2.66574 -222.18926 806.32818
3625.0000 -233.50030 -223.72465 9.77565 2.55559 -224.46640 738.44515
3630.0000 -232.11597 -222.09402 10.02195 2.63662 -222.79133 800.12999
3635.0000 -231.39756 -222.44418 8.95337 2.63956 -222.73057 794.93948
3640.0000 -231.91401 -221.80415 10.10986 2.66528 -222.19886 809.80223
3645.0000 -230.35004 -219.91928 10.43076 2.72566 -220.95043 834.72654
3650.0000 -231.12260 -221.93740 9.18520 2.69547 -221.57452 806.54267
3655.0000 -231.94036 -222.28881 9.65155 2.66578 -222.18844 805.25494
3660.0000 -233.01307 -224.10734 8.90573 2.64598 -222.59786 768.67588
3665.0000 -233.35062 -223.99931 9.35131 2.57398 -224.08624 712.45301
3670.0000 -233.39581 -223.29028 10.10553 2.59249 -223.70352 755.73132
3675.0000 -233.28907 -223.47752 9.81155 2.62420 -223.04794 777.54120
3680.0000 -231.88904 -223.24029 8.64876 2.59970 -223.55451 769.27007
3685.0000 -233.64517 -225.05438 8.59079 2.61878 -223.15998 789.70600
3690.0000 -234.76098 -224.62248 10.13850 2.52948 -225.00616 720.59098
3695.0000 -234.41638 -225.21164 9.20474 2.52096 -225.18236 719.35541
3700.0000 -233.54698 -224.65814 8.88884 2.50245 -225.56502 721.38496
3705.0000 -234.42316 -225.48509 8.93807 2.54192 -224.74915 766.06570
3710.0000 -232.85403 -222.72323 10.13080 2.55817 -224.41303 759.51808
3715.0000 -233.33661 -224.15737 9.17924 2.61579 -223.22193 757.03226
3720.0000 -232.87871 -223.49406 9.38466 2.55527 -224.47310 731.29737
3725.0000 -232.49448 -222.77828 9.71620 2.61879 -223.15997 778.03273
3730.0000 -233.28962 -223.93173 9.35789 2.55687 -224.44008 736.99800
3735.0000 -233.53295 -223.77074 9.76220 2.58796 -223.79730 756.82381
3740.0000 -233.57752 -224.92949 8.64803 2.59392 -223.67400 781.85715
3745.0000 -235.40942 -225.62914 9.78028 2.49912 -225.63397 686.30739
3750.0000 -234.92305 -225.96140 8.96165 2.51344 -225.33789 707.14847
FREEZING PROCESS: loop number 16 T-loop= 731.00000000000000
main_MD> interactions number 16 at Temperature= 731.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27828 0.15877 -0.74700
force_rgl> df(natom) -3.82513 2.06373 -0.76957
3755.0000 -233.02823 -224.38556 8.64268 2.52538 -225.09101 722.39244
3760.0000 -232.61997 -224.61198 8.00800 2.54767 -224.63029 734.48513
3765.0000 -233.94030 -226.03040 7.90989 2.51864 -225.23029 710.87172
3770.0000 -234.80307 -225.63013 9.17294 2.52527 -225.09328 718.84182
3775.0000 -232.98105 -224.35500 8.62606 2.53096 -224.97558 713.35506
3780.0000 -232.47679 -223.57052 8.90627 2.56469 -224.27838 739.02129
3785.0000 -232.98872 -223.37674 9.61198 2.58592 -223.83939 748.43778
3790.0000 -233.19050 -224.63050 8.56000 2.56372 -224.29828 739.37547
3795.0000 -233.94564 -225.40011 8.54553 2.49447 -225.73006 687.33355
3800.0000 -234.50548 -225.61154 8.89394 2.51489 -225.30796 718.48787
3805.0000 -234.46060 -226.58670 7.87390 2.49218 -225.77739 684.59499
3810.0000 -235.13505 -227.32272 7.81234 2.48733 -225.87755 690.95211
3815.0000 -233.73037 -225.69495 8.03542 2.47624 -226.10684 675.95761
3820.0000 -232.31070 -222.71802 9.59268 2.55056 -224.57043 739.01000
3825.0000 -231.68476 -222.87081 8.81395 2.62606 -223.00961 785.98103
3830.0000 -233.29869 -224.67464 8.62405 2.58548 -223.84842 748.56300
3835.0000 -233.46980 -224.25371 9.21608 2.57728 -224.01801 751.32266
3840.0000 -233.31893 -224.05904 9.25989 2.54920 -224.59851 735.02751
3845.0000 -231.65646 -223.50415 8.15231 2.58788 -223.79900 753.55413
3850.0000 -233.80691 -224.33983 9.46708 2.59513 -223.64898 764.96048
3855.0000 -232.78970 -223.34479 9.44491 2.55497 -224.47936 728.79415
3860.0000 -232.44047 -223.86452 8.57595 2.56411 -224.29031 722.82182
3865.0000 -234.81961 -224.65164 10.16796 2.55983 -224.37877 715.09996
3870.0000 -233.87392 -224.28394 9.58998 2.53563 -224.87915 718.02321
3875.0000 -232.73289 -223.90325 8.82963 2.57488 -224.06757 765.90178
3880.0000 -233.39877 -224.86757 8.53120 2.54908 -224.60103 724.02998
3885.0000 -234.68296 -226.63324 8.04971 2.47987 -226.03184 697.85207
3890.0000 -235.69517 -227.10083 8.59434 2.44325 -226.78902 663.31760
3895.0000 -234.10300 -225.67262 8.43038 2.46451 -226.34936 682.28740
3900.0000 -232.65270 -224.43637 8.21632 2.53654 -224.86036 726.39794
3905.0000 -231.76593 -222.64153 9.12440 2.57593 -224.04601 741.35029
3910.0000 -233.59195 -224.11035 9.48160 2.59347 -223.68327 761.93623
3915.0000 -234.21298 -225.95583 8.25715 2.56001 -224.37505 744.91445
3920.0000 -233.48134 -225.84653 7.63481 2.45156 -226.61723 687.79331
3925.0000 -234.81980 -225.45944 9.36036 2.54789 -224.62572 742.49428
3930.0000 -234.34699 -224.86753 9.47946 2.48439 -225.93850 698.70777
3935.0000 -232.54134 -223.08642 9.45492 2.58236 -223.91308 736.36757
3940.0000 -232.82309 -222.98064 9.84245 2.61089 -223.32316 766.01500
3945.0000 -232.41701 -222.49103 9.92598 2.62486 -223.03437 785.19882
3950.0000 -232.19902 -223.89250 8.30652 2.65051 -222.50416 787.17826
3955.0000 -233.15997 -222.88556 10.27441 2.58207 -223.91891 755.96705
3960.0000 -233.21371 -224.64817 8.56554 2.58036 -223.95436 753.00251
3965.0000 -234.10353 -225.42551 8.67802 2.58426 -223.87368 770.59414
3970.0000 -233.90800 -225.02750 8.88050 2.47561 -226.11988 677.48657
3975.0000 -234.78032 -225.48010 9.30021 2.53082 -224.97857 714.95822
3980.0000 -234.93491 -226.48239 8.45252 2.47752 -226.08044 689.83867
3985.0000 -234.51420 -226.33608 8.17812 2.47232 -226.18787 685.16349
3990.0000 -234.58695 -226.08814 8.49881 2.48710 -225.88238 680.77094
3995.0000 -234.01537 -226.20965 7.80572 2.48140 -226.00018 698.57269
4000.0000 -234.39807 -225.30177 9.09630 2.46917 -226.25317 677.17753
FREEZING PROCESS: loop number 17 T-loop= 706.00000000000000
main_MD> interactions number 17 at Temperature= 706.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.86795 -0.81185 0.28020
force_rgl> df(natom) 2.10427 1.71456 0.40290
4005.0000 -232.92469 -224.82858 8.09611 2.50980 -225.41308 707.32522
4010.0000 -233.55544 -224.52508 9.03037 2.57123 -224.14302 744.26546
4015.0000 -234.33294 -225.36101 8.97193 2.52829 -225.03086 725.14084
4020.0000 -234.01693 -224.00727 10.00967 2.53993 -224.79023 746.79727
4025.0000 -233.33723 -224.93414 8.40309 2.49961 -225.62367 720.94164
4030.0000 -233.99974 -225.96948 8.03025 2.46671 -226.30390 705.50241
4035.0000 -233.86954 -225.27651 8.59302 2.47976 -226.03404 692.32151
4040.0000 -233.72217 -225.58236 8.13981 2.50070 -225.60117 703.17357
4045.0000 -232.14944 -223.83343 8.31601 2.54783 -224.62685 727.09391
4050.0000 -234.42317 -224.49935 9.92382 2.57584 -224.04783 758.64109
4055.0000 -233.68170 -223.49896 10.18274 2.55732 -224.43059 748.88979
4060.0000 -232.81393 -224.36551 8.44843 2.57769 -224.00955 756.37123
4065.0000 -232.98507 -223.93202 9.05305 2.59357 -223.68134 761.96903
4070.0000 -235.34866 -226.67021 8.67845 2.47990 -226.03135 711.63961
4075.0000 -236.26780 -228.31627 7.95153 2.37868 -228.12385 650.52569
4080.0000 -235.86514 -228.78665 7.07849 2.38843 -227.92233 642.69057
4085.0000 -233.25989 -225.53110 7.72879 2.42978 -227.06744 657.38854
4090.0000 -234.38421 -225.61226 8.77195 2.48894 -225.84426 705.19485
4095.0000 -233.40846 -224.70683 8.70163 2.52205 -225.15976 700.66610
4100.0000 -233.07763 -224.21417 8.86346 2.56830 -224.20370 738.11565
4105.0000 -234.04053 -225.14858 8.89196 2.51790 -225.24558 723.54108
4110.0000 -235.03060 -226.46918 8.56142 2.49141 -225.79333 688.88504
4115.0000 -234.86196 -226.92035 7.94161 2.44560 -226.74037 684.37985
4120.0000 -235.52998 -227.49047 8.03952 2.41780 -227.31502 672.34599
4125.0000 -233.59723 -225.81735 7.77988 2.43633 -226.93195 658.36746
4130.0000 -236.06153 -226.88400 9.17753 2.48685 -225.88758 693.65947
4135.0000 -234.42731 -225.86770 8.55961 2.44833 -226.68391 687.82958
4140.0000 -233.83233 -224.56596 9.26637 2.52346 -225.13063 707.75593
4145.0000 -233.88615 -224.23100 9.65515 2.56092 -224.35616 722.75090
4150.0000 -232.95396 -224.38896 8.56500 2.54979 -224.58635 756.59826
4155.0000 -234.83105 -225.18338 9.64768 2.49175 -225.78621 690.04696
4160.0000 -232.10438 -222.55126 9.55312 2.60197 -223.50769 781.57480
4165.0000 -234.58783 -226.36211 8.22571 2.56915 -224.18603 758.28050
4170.0000 -234.51783 -225.69888 8.81895 2.46594 -226.31992 676.71175
4175.0000 -235.38246 -226.94166 8.44080 2.46062 -226.42979 682.40652
4180.0000 -236.47417 -227.10257 9.37160 2.42025 -227.26435 665.03038
4185.0000 -236.27757 -229.17887 7.09870 2.42671 -227.13080 682.58332
4190.0000 -233.37691 -224.34486 9.03204 2.42134 -227.24192 682.83868
4195.0000 -234.25930 -225.30668 8.95262 2.49397 -225.74037 715.40575
4200.0000 -234.55104 -226.49473 8.05631 2.49401 -225.73952 696.47403
4205.0000 -234.30351 -225.54070 8.76281 2.47599 -226.11202 679.56377
4210.0000 -233.62332 -225.54142 8.08190 2.51029 -225.40290 715.16656
4215.0000 -234.34356 -224.83601 9.50755 2.51463 -225.31328 708.44632
4220.0000 -233.48535 -225.25318 8.23218 2.50852 -225.43963 702.31707
4225.0000 -233.73862 -224.80935 8.92928 2.52843 -225.02796 717.98729
4230.0000 -234.74576 -226.92065 7.82511 2.49212 -225.77869 723.31712
4235.0000 -234.34852 -226.45760 7.89092 2.46235 -226.39407 680.19003
4240.0000 -234.39411 -226.79887 7.59524 2.43062 -227.04997 665.74376
4245.0000 -235.88846 -226.94547 8.94300 2.42063 -227.25649 670.58171
4250.0000 -234.53569 -227.57834 6.95736 2.44406 -226.77227 676.84067
FREEZING PROCESS: loop number 18 T-loop= 681.00000000000000
main_MD> interactions number 18 at Temperature= 681.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.28240 1.83088 0.32585
force_rgl> df(natom) 1.29772 0.49105 2.71401
4255.0000 -233.81075 -224.89985 8.91089 2.49585 -225.70156 693.29008
4260.0000 -234.19513 -224.94433 9.25079 2.54196 -224.74817 704.58530
4265.0000 -234.30661 -225.91648 8.39013 2.49143 -225.79284 701.67538
4270.0000 -235.37975 -227.31844 8.06131 2.44562 -226.73996 671.85453
4275.0000 -234.02812 -226.68782 7.34030 2.44557 -226.74105 666.22464
4280.0000 -234.98195 -228.00312 6.97883 2.43534 -226.95238 658.74825
4285.0000 -236.00408 -227.06900 8.93508 2.40775 -227.52294 662.79029
4290.0000 -235.35062 -226.59282 8.75780 2.41792 -227.31269 660.85594
4295.0000 -235.11392 -226.34208 8.77184 2.47291 -226.17579 704.55758
4300.0000 -234.23246 -225.61335 8.61912 2.45614 -226.52252 689.85031
4305.0000 -235.68095 -228.02780 7.65315 2.41351 -227.40370 642.84297
4310.0000 -236.52491 -228.20490 8.32000 2.40403 -227.59985 654.41602
4315.0000 -235.32559 -226.57389 8.75169 2.41438 -227.38588 662.13351
4320.0000 -234.47284 -227.10764 7.36520 2.42534 -227.15917 654.09917
4325.0000 -235.22804 -225.84479 9.38326 2.44643 -226.72323 674.33599
4330.0000 -234.25874 -226.79481 7.46393 2.47713 -226.08849 676.82858
4335.0000 -234.25708 -225.87953 8.37755 2.45848 -226.47406 659.18730
4340.0000 -234.72105 -225.90584 8.81521 2.49847 -225.64738 691.08812
4345.0000 -235.22085 -226.99854 8.22231 2.42355 -227.19630 676.13441
4350.0000 -234.85904 -226.53265 8.32639 2.44610 -226.72993 688.54322
4355.0000 -233.87387 -226.20298 7.67089 2.45565 -226.53252 672.14478
4360.0000 -235.70984 -226.16815 9.54169 2.48140 -226.00025 691.55904
4365.0000 -234.40188 -225.32008 9.08180 2.49034 -225.81540 693.04020
4370.0000 -236.04447 -227.03764 9.00683 2.45571 -226.53144 677.00617
4375.0000 -234.16142 -226.49113 7.67029 2.44424 -226.76854 666.23077
4380.0000 -235.09073 -225.88261 9.20812 2.49397 -225.74045 706.99249
4385.0000 -234.85392 -226.54721 8.30671 2.49977 -225.62052 716.96764
4390.0000 -233.39434 -225.65211 7.74223 2.44742 -226.70269 675.33241
4395.0000 -234.66505 -226.90226 7.76279 2.49370 -225.74594 704.45748
4400.0000 -234.34095 -226.07170 8.26926 2.45422 -226.56214 650.87685
4405.0000 -236.11255 -227.92901 8.18354 2.45126 -226.62324 649.22563
4410.0000 -235.39135 -227.69267 7.69868 2.39360 -227.81540 618.65744
4415.0000 -235.26220 -227.00578 8.25642 2.43190 -227.02357 646.70392
4420.0000 -235.50441 -227.56221 7.94220 2.43093 -227.04358 677.52988
4425.0000 -234.76359 -227.59471 7.16888 2.41177 -227.43966 655.46462
4430.0000 -235.73414 -227.73356 8.00058 2.40552 -227.56902 656.25745
4435.0000 -235.69075 -228.35796 7.33279 2.35912 -228.52830 648.22850
4440.0000 -233.85639 -225.13127 8.72512 2.42067 -227.25582 670.20319
4445.0000 -234.57501 -226.11214 8.46287 2.50294 -225.55484 725.72099
4450.0000 -233.44533 -225.04670 8.39862 2.47324 -226.16898 688.78358
4455.0000 -234.23207 -226.32928 7.90279 2.51947 -225.21329 704.72452
4460.0000 -234.44584 -226.42832 8.01752 2.48418 -225.94282 692.14033
4465.0000 -235.05851 -225.47096 9.58755 2.47793 -226.07194 697.57524
4470.0000 -234.05358 -224.49836 9.55522 2.56006 -224.37405 743.60119
4475.0000 -234.01790 -225.96121 8.05668 2.48793 -225.86530 692.60627
4480.0000 -234.86092 -226.88001 7.98090 2.44645 -226.72277 643.18647
4485.0000 -234.63182 -226.39193 8.23988 2.43294 -227.00202 645.14683
4490.0000 -235.39771 -226.59728 8.80043 2.44778 -226.69539 668.28026
4495.0000 -233.02119 -224.77669 8.24449 2.53260 -224.94179 747.43965
4500.0000 -233.49000 -225.70180 7.78820 2.48332 -225.96051 704.97671
FREEZING PROCESS: loop number 19 T-loop= 656.00000000000000
main_MD> interactions number 19 at Temperature= 656.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32377 -0.18129 0.14433
force_rgl> df(natom) 0.09645 -1.25113 -1.28403
4505.0000 -235.22879 -226.27962 8.94917 2.45585 -226.52854 677.72027
4510.0000 -234.90257 -227.49814 7.40443 2.40021 -227.67864 651.44427
4515.0000 -234.61422 -227.33867 7.27555 2.38653 -227.96158 622.72768
4520.0000 -233.43428 -224.94015 8.49413 2.47994 -226.03043 697.24657
4525.0000 -234.32124 -225.20341 9.11783 2.54765 -224.63068 713.58852
4530.0000 -235.85835 -227.21120 8.64714 2.47577 -226.11673 697.06330
4535.0000 -235.63835 -227.83769 7.80066 2.40726 -227.53307 649.92093
4540.0000 -235.50671 -228.14624 7.36047 2.37311 -228.23893 624.42995
4545.0000 -234.92425 -226.88847 8.03578 2.41969 -227.27592 664.85745
4550.0000 -235.15279 -226.55263 8.60015 2.45472 -226.55173 660.46073
4555.0000 -235.26925 -226.93985 8.32940 2.44046 -226.84652 674.22789
4560.0000 -234.21361 -226.33593 7.87768 2.47099 -226.21548 711.11233
4565.0000 -235.05466 -226.69998 8.35468 2.43515 -226.95647 669.54625
4570.0000 -234.06320 -227.09513 6.96806 2.41341 -227.40593 662.81257
4575.0000 -235.50578 -227.71993 7.78585 2.41349 -227.40411 661.45366
4580.0000 -235.88007 -226.85388 9.02619 2.41594 -227.35363 658.69491
4585.0000 -234.44277 -226.57947 7.86330 2.44369 -226.77980 654.38284
4590.0000 -234.86298 -226.80204 8.06094 2.44661 -226.71946 674.05531
4595.0000 -234.65467 -226.76915 7.88552 2.48126 -226.00311 681.61808
4600.0000 -235.58026 -228.10480 7.47545 2.40356 -227.60951 639.88697
4605.0000 -235.04878 -226.92189 8.12689 2.40491 -227.58164 647.52632
4610.0000 -234.36911 -225.87507 8.49403 2.44894 -226.67128 661.28625
4615.0000 -233.43293 -225.71173 7.72120 2.49848 -225.64719 692.22419
4620.0000 -235.00811 -226.69090 8.31721 2.45423 -226.56204 668.21774
4625.0000 -235.58883 -226.82615 8.76269 2.44272 -226.79993 675.16216
4630.0000 -234.55687 -224.95541 9.60146 2.49673 -225.68332 700.13924
4635.0000 -234.99893 -226.60626 8.39267 2.46044 -226.43363 688.02731
4640.0000 -235.37760 -228.17449 7.20311 2.44442 -226.76465 694.37641
4645.0000 -236.37822 -227.58796 8.79026 2.41448 -227.38377 659.46498
4650.0000 -234.37872 -226.33749 8.04123 2.41852 -227.30020 664.79248
4655.0000 -234.02412 -224.54311 9.48101 2.47060 -226.22354 670.67345
4660.0000 -234.80830 -227.27188 7.53642 2.50955 -225.41832 692.85661
4665.0000 -235.27200 -227.40058 7.87142 2.40174 -227.64708 630.01708
4670.0000 -236.37907 -227.66865 8.71042 2.39000 -227.88991 653.64440
4675.0000 -235.41846 -227.98509 7.43336 2.39395 -227.80817 655.66305
4680.0000 -235.53681 -227.70685 7.82996 2.37849 -228.12779 623.82983
4685.0000 -235.77441 -228.16421 7.61020 2.41486 -227.37578 650.80859
4690.0000 -235.69118 -227.95914 7.73203 2.38594 -227.97380 638.11472
4695.0000 -237.50975 -229.67867 7.83108 2.35801 -228.55107 637.96670
4700.0000 -236.13431 -228.28169 7.85262 2.34781 -228.76209 633.34495
4705.0000 -234.97638 -227.65205 7.32433 2.40717 -227.53477 678.22860
4710.0000 -234.75985 -226.08467 8.67518 2.42613 -227.14297 669.93803
4715.0000 -234.45742 -227.10474 7.35268 2.46237 -226.39376 676.52440
4720.0000 -234.47233 -226.93760 7.53474 2.41752 -227.32096 658.90661
4725.0000 -234.58810 -225.99557 8.59253 2.42859 -227.09196 661.02625
4730.0000 -235.10562 -226.98292 8.12270 2.43714 -226.91535 677.94032
4735.0000 -234.84011 -227.12687 7.71324 2.41760 -227.31915 657.16883
4740.0000 -234.15372 -225.87111 8.28261 2.42966 -227.06991 659.36264
4745.0000 -234.58575 -227.62644 6.95930 2.50746 -225.46152 702.56945
4750.0000 -234.86110 -226.79731 8.06379 2.43891 -226.87876 670.99438
FREEZING PROCESS: loop number 20 T-loop= 631.00000000000000
main_MD> interactions number 20 at Temperature= 631.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11023 -2.54952 -2.56086
force_rgl> df(natom) 2.21198 0.35654 2.99892
4755.0000 -235.18069 -227.68464 7.49605 2.42543 -227.15732 679.14897
4760.0000 -236.26275 -227.50152 8.76123 2.41133 -227.44887 641.13797
4765.0000 -235.59339 -228.40364 7.18975 2.37405 -228.21962 627.98496
4770.0000 -236.74735 -229.80842 6.93893 2.33189 -229.09116 586.98048
4775.0000 -236.67630 -228.06624 8.61006 2.33924 -228.93919 614.14007
4780.0000 -234.34081 -227.73787 6.60295 2.38584 -227.97577 628.31491
4785.0000 -235.49675 -227.17209 8.32466 2.45202 -226.60772 680.31729
4790.0000 -235.89485 -227.24352 8.65134 2.44118 -226.83177 684.74914
4795.0000 -235.64145 -227.29412 8.34733 2.40431 -227.59400 630.17317
4800.0000 -234.73404 -227.45242 7.28162 2.44984 -226.65266 673.72814
4805.0000 -236.75824 -228.27368 8.48457 2.40276 -227.62602 654.09277
4810.0000 -234.73225 -226.67726 8.05499 2.43273 -227.00644 679.19409
4815.0000 -235.60736 -227.36587 8.24149 2.41620 -227.34824 666.55334
4820.0000 -236.57757 -229.74696 6.83061 2.35807 -228.54992 610.20497
4825.0000 -237.14285 -229.68982 7.45303 2.29564 -229.84069 598.31832
4830.0000 -237.59460 -230.35782 7.23678 2.29015 -229.95405 614.57189
4835.0000 -236.51812 -228.76638 7.75175 2.30802 -229.58463 624.90604
4840.0000 -236.78685 -228.51573 8.27112 2.32570 -229.21911 627.20544
4845.0000 -236.64241 -230.02507 6.61734 2.34429 -228.83479 618.82290
4850.0000 -237.60785 -229.78395 7.82390 2.28580 -230.04393 570.33724
4855.0000 -236.88901 -229.76527 7.12374 2.29209 -229.91399 606.88286
4860.0000 -235.12934 -227.04112 8.08822 2.37312 -228.23882 656.97989
4865.0000 -234.92998 -227.72870 7.20129 2.43036 -227.05541 655.30290
4870.0000 -235.08787 -227.61391 7.47396 2.38311 -228.03235 620.19934
4875.0000 -235.57734 -228.25837 7.31897 2.39841 -227.71587 635.19977
4880.0000 -235.91263 -228.60680 7.30584 2.36376 -228.43233 618.10487
4885.0000 -236.57634 -228.98049 7.59586 2.36655 -228.37467 624.40048
4890.0000 -236.34902 -228.05749 8.29153 2.36100 -228.48936 620.83006
4895.0000 -236.14696 -229.52847 6.61849 2.34863 -228.74513 624.99159
4900.0000 -237.60945 -230.19563 7.41381 2.27629 -230.24059 572.83609
4905.0000 -237.26107 -229.02256 8.23851 2.30950 -229.55409 600.29875
4910.0000 -236.59695 -227.66580 8.93116 2.32489 -229.23594 603.81575
4915.0000 -236.24838 -229.65750 6.59088 2.36904 -228.32321 632.13835
4920.0000 -238.23369 -230.24587 7.98781 2.30934 -229.55733 601.24979
4925.0000 -236.20410 -228.76343 7.44067 2.29669 -229.81887 586.86918
4930.0000 -235.14675 -227.94336 7.20339 2.35638 -228.58492 615.88528
4935.0000 -235.55997 -228.17159 7.38838 2.37663 -228.16630 621.75359
4940.0000 -234.77620 -226.01628 8.75992 2.40014 -227.68019 640.88096
4945.0000 -235.31939 -228.94951 6.36988 2.42064 -227.25635 624.85384
4950.0000 -236.18545 -228.65712 7.52833 2.35664 -228.57952 602.70952
4955.0000 -236.00795 -229.12282 6.88513 2.32443 -229.24548 599.47582
4960.0000 -236.46091 -228.69690 7.76401 2.34204 -228.88124 582.01336
4965.0000 -237.17355 -229.50109 7.67246 2.34365 -228.84802 620.52039
4970.0000 -237.69797 -229.98405 7.71392 2.29965 -229.75777 595.37184
4975.0000 -237.52535 -229.61006 7.91529 2.32551 -229.22314 656.87382
4980.0000 -236.66544 -228.12739 8.53805 2.31437 -229.45328 629.66507
4985.0000 -237.13818 -228.19060 8.94758 2.35014 -228.71386 659.62837
4990.0000 -238.03719 -230.97961 7.05758 2.31257 -229.49054 628.17007
4995.0000 -238.78400 -230.80646 7.97754 2.26795 -230.41313 605.07421
5000.0000 -238.99438 -230.57059 8.42380 2.25393 -230.70284 600.69462
FREEZING PROCESS: loop number 21 T-loop= 606.00000000000000
main_MD> interactions number 21 at Temperature= 606.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21750 -1.04293 -0.67694
force_rgl> df(natom) 0.98538 -2.57007 -0.74019
5005.0000 -239.06648 -232.52398 6.54250 2.19981 -231.82168 566.68332
5010.0000 -236.87370 -229.37515 7.49855 2.23692 -231.05457 569.04345
5015.0000 -236.90572 -230.51734 6.38838 2.28591 -230.04169 586.55157
5020.0000 -238.10103 -231.80716 6.29388 2.22856 -231.22741 549.76450
5025.0000 -237.36051 -230.73830 6.62221 2.23383 -231.11841 557.50814
5030.0000 -237.35620 -230.65384 6.70236 2.22970 -231.20376 546.86496
5035.0000 -237.47605 -230.23580 7.24025 2.24923 -230.80002 564.25563
5040.0000 -237.89716 -231.21096 6.68620 2.25568 -230.66669 563.86019
5045.0000 -237.66053 -231.39037 6.27016 2.25056 -230.77266 565.05643
5050.0000 -238.53725 -230.75879 7.77846 2.25461 -230.68886 571.07725
5055.0000 -236.23315 -229.23435 6.99880 2.30447 -229.65807 592.09648
5060.0000 -236.70105 -230.15733 6.54372 2.28894 -229.97917 557.74839
5065.0000 -236.49448 -229.24607 7.24841 2.28267 -230.10883 561.18008
5070.0000 -236.23956 -228.71530 7.52426 2.31394 -229.46236 593.75815
5075.0000 -236.12215 -229.95421 6.16795 2.33233 -229.08198 596.97289
5080.0000 -237.20277 -229.82888 7.37389 2.29339 -229.88711 577.88453
5085.0000 -236.58169 -229.80301 6.77868 2.28726 -230.01375 572.83296
5090.0000 -236.29725 -228.58837 7.70888 2.32338 -229.26705 603.19545
5095.0000 -236.20113 -229.17115 7.02998 2.35958 -228.51878 617.83725
5100.0000 -236.34777 -229.12512 7.22264 2.29707 -229.81109 589.01901
5105.0000 -236.61157 -230.28028 6.33128 2.29424 -229.86952 578.05352
5110.0000 -235.64679 -228.62422 7.02258 2.28841 -229.98998 563.78176
5115.0000 -234.67532 -226.66588 8.00943 2.38155 -228.06454 625.95909
5120.0000 -236.80824 -229.47091 7.33732 2.35604 -228.59192 627.46938
5125.0000 -235.66832 -228.83883 6.82948 2.29662 -229.82032 577.66402
5130.0000 -236.44186 -228.92870 7.51316 2.33320 -229.06399 605.65956
5135.0000 -236.41109 -228.73703 7.67406 2.35139 -228.68795 607.49202
5140.0000 -236.89237 -228.91473 7.97764 2.36139 -228.48123 639.66344
5145.0000 -237.15472 -229.49379 7.66093 2.28918 -229.97412 607.41171
5150.0000 -238.14653 -229.75805 8.38847 2.32509 -229.23167 613.79911
5155.0000 -237.10231 -230.22906 6.87324 2.28802 -229.99815 589.73032
5160.0000 -236.71864 -229.34987 7.36877 2.27562 -230.25451 581.73744
5165.0000 -237.29257 -229.36012 7.93245 2.28925 -229.97277 580.64779
5170.0000 -235.15866 -227.43095 7.72772 2.37511 -228.19763 627.26369
5175.0000 -235.32049 -228.72910 6.59139 2.37569 -228.18564 623.60278
5180.0000 -237.10319 -229.61559 7.48760 2.34487 -228.82290 614.12370
5185.0000 -237.67482 -230.25561 7.41921 2.32664 -229.19972 597.64529
5190.0000 -235.49421 -228.53178 6.96242 2.33357 -229.05653 600.01379
5195.0000 -236.18420 -228.24609 7.93811 2.36319 -228.44398 611.76181
5200.0000 -236.53154 -228.44866 8.08287 2.36907 -228.32249 625.14405
5205.0000 -236.88871 -230.11795 6.77076 2.32183 -229.29904 605.41451
5210.0000 -235.65418 -229.63020 6.02398 2.33161 -229.09703 619.49828
5215.0000 -237.79242 -229.40664 8.38578 2.29079 -229.94079 582.56972
5220.0000 -236.37883 -229.60448 6.77435 2.30598 -229.62689 592.24353
5225.0000 -237.27262 -228.46534 8.80728 2.34976 -228.72177 636.33703
5230.0000 -235.23663 -228.87108 6.36555 2.33778 -228.96942 596.78500
5235.0000 -235.01098 -227.81127 7.19972 2.36172 -228.47456 606.64903
5240.0000 -235.08221 -228.53324 6.54897 2.35693 -228.57346 614.31572
5245.0000 -236.11735 -229.15360 6.96375 2.37278 -228.24574 595.59774
5250.0000 -235.69340 -226.90670 8.78670 2.36192 -228.47034 585.89555
FREEZING PROCESS: loop number 22 T-loop= 581.00000000000000
main_MD> interactions number 22 at Temperature= 581.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13813 -0.35673 -0.79434
force_rgl> df(natom) 0.12183 0.68165 1.94456
5255.0000 -237.68699 -230.99468 6.69230 2.33063 -229.11728 606.49750
5260.0000 -237.35636 -230.40733 6.94903 2.25177 -230.74761 547.02874
5265.0000 -236.53728 -229.37550 7.16178 2.31248 -229.49248 589.28466
5270.0000 -236.86474 -230.37416 6.49059 2.25547 -230.67112 560.52388
5275.0000 -237.75136 -230.43618 7.31519 2.24329 -230.92287 558.78985
5280.0000 -237.41150 -230.66566 6.74584 2.26890 -230.39338 563.76550
5285.0000 -237.88518 -231.48148 6.40370 2.22078 -231.38828 540.63519
5290.0000 -237.97039 -232.10275 5.86764 2.18784 -232.06928 515.07779
5295.0000 -238.49670 -231.61246 6.88424 2.20149 -231.78708 547.21880
5300.0000 -238.58533 -231.53353 7.05181 2.19193 -231.98459 550.03514
5305.0000 -237.19051 -230.53628 6.65423 2.23510 -231.09223 554.86915
5310.0000 -236.95102 -230.71636 6.23466 2.27210 -230.32731 579.05659
5315.0000 -236.62496 -229.16876 7.45619 2.27452 -230.27727 556.45198
5320.0000 -237.94931 -230.88396 7.06535 2.27836 -230.19780 571.66599
5325.0000 -237.61740 -230.63998 6.97742 2.24731 -230.83966 578.40568
5330.0000 -237.80463 -231.95777 5.84687 2.21712 -231.46398 538.79513
5335.0000 -237.70861 -230.27133 7.43728 2.28276 -230.10697 574.83211
5340.0000 -237.00402 -229.28861 7.71541 2.26851 -230.40151 576.67070
5345.0000 -237.27189 -230.56780 6.70409 2.25019 -230.78015 571.02381
5350.0000 -237.41730 -230.55603 6.86127 2.29454 -229.86329 594.31345
5355.0000 -237.18860 -229.57011 7.61849 2.31132 -229.51641 629.49745
5360.0000 -237.21585 -230.11866 7.09719 2.29077 -229.94120 628.84650
5365.0000 -238.98313 -233.21813 5.76500 2.20472 -231.72031 555.99366
5370.0000 -236.70270 -229.65813 7.04457 2.23342 -231.12699 581.43473
5375.0000 -237.30807 -230.30826 6.99980 2.28185 -230.12564 596.86091
5380.0000 -238.22475 -231.08430 7.14046 2.26944 -230.38230 586.06391
5385.0000 -238.76301 -231.08197 7.68104 2.22627 -231.27464 574.84171
5390.0000 -238.79790 -231.08463 7.71327 2.20006 -231.81657 568.91216
5395.0000 -238.17719 -231.15684 7.02035 2.23506 -231.09302 589.72540
5400.0000 -237.37803 -230.12081 7.25722 2.24631 -230.86034 594.34568
5405.0000 -238.39867 -231.28627 7.11240 2.23197 -231.15678 611.17149
5410.0000 -237.50192 -231.39691 6.10501 2.21385 -231.53140 585.96312
5415.0000 -238.51493 -232.01583 6.49911 2.21535 -231.50043 571.36452
5420.0000 -237.99346 -231.73550 6.25796 2.20201 -231.77635 561.85194
5425.0000 -237.94600 -230.05365 7.89236 2.21044 -231.60194 558.11819
5430.0000 -239.40557 -232.41935 6.98621 2.19922 -231.83393 567.89532
5435.0000 -239.83380 -232.27249 7.56132 2.18799 -232.06617 580.16801
5440.0000 -238.72202 -232.16840 6.55363 2.19605 -231.89947 588.23494
5445.0000 -237.98115 -230.99873 6.98242 2.20697 -231.67363 588.90159
5450.0000 -237.73039 -230.42927 7.30112 2.22673 -231.26523 582.45146
5455.0000 -238.53280 -231.13304 7.39975 2.24224 -230.94462 586.41296
5460.0000 -237.06927 -230.93714 6.13213 2.22796 -231.23973 578.77717
5465.0000 -239.11269 -231.93461 7.17808 2.20249 -231.76627 571.03125
5470.0000 -239.37785 -232.37367 7.00418 2.20089 -231.79943 580.18679
5475.0000 -237.69348 -231.39368 6.29980 2.20719 -231.66928 571.47527
5480.0000 -236.79603 -231.46587 5.33016 2.22792 -231.24055 574.49978
5485.0000 -239.10844 -231.53549 7.57295 2.22699 -231.25979 584.10734
5490.0000 -238.92192 -231.31111 7.61081 2.21658 -231.47509 579.49433
5495.0000 -238.69423 -231.25991 7.43432 2.22051 -231.39384 589.49555
5500.0000 -237.67996 -231.06718 6.61279 2.19584 -231.90382 574.85761
FREEZING PROCESS: loop number 23 T-loop= 556.00000000000000
main_MD> interactions number 23 at Temperature= 556.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.88191 -0.42079 0.46229
force_rgl> df(natom) -1.58331 -1.41880 3.37453
5505.0000 -238.53636 -230.45306 8.08331 2.24243 -230.94059 567.04708
5510.0000 -239.91528 -232.43201 7.48327 2.22585 -231.28337 562.58441
5515.0000 -238.68725 -232.06350 6.62376 2.18654 -232.09608 547.73162
5520.0000 -239.57830 -233.36189 6.21641 2.16258 -232.59137 540.04436
5525.0000 -239.59327 -232.98161 6.61167 2.10794 -233.72112 519.59964
5530.0000 -240.32237 -234.06501 6.25737 2.12782 -233.31002 520.73930
5535.0000 -238.20875 -231.77308 6.43567 2.14304 -232.99529 521.21671
5540.0000 -238.66386 -232.09354 6.57032 2.20408 -231.73353 574.01378
5545.0000 -238.91687 -231.80750 7.10936 2.19411 -231.93969 562.61831
5550.0000 -239.18986 -232.14934 7.04052 2.18193 -232.19135 545.43910
5555.0000 -240.39266 -233.37849 7.01417 2.13354 -233.19189 521.22066
5560.0000 -239.33669 -232.67595 6.66074 2.16522 -232.53689 549.75691
5565.0000 -238.63693 -231.88898 6.74795 2.16038 -232.63693 540.00595
5570.0000 -238.31775 -232.00879 6.30896 2.19345 -231.95319 554.15533
5575.0000 -238.13344 -230.96900 7.16444 2.24806 -230.82426 577.59911
5580.0000 -239.50823 -232.01867 7.48956 2.24190 -230.95151 593.03169
5585.0000 -240.00681 -233.48724 6.51956 2.12647 -233.33789 530.98722
5590.0000 -239.09032 -233.11509 5.97523 2.14840 -232.88452 544.81860
5595.0000 -239.48197 -232.56252 6.91946 2.14930 -232.86591 524.05215
5600.0000 -239.46185 -232.26820 7.19365 2.15880 -232.66951 554.15396
5605.0000 -240.02720 -233.54585 6.48135 2.14753 -232.90255 557.62218
5610.0000 -239.99568 -233.46013 6.53555 2.10568 -233.76771 530.74796
5615.0000 -240.25741 -233.68343 6.57398 2.11387 -233.59855 536.94450
5620.0000 -240.64486 -234.10939 6.53547 2.09699 -233.94745 524.57350
5625.0000 -239.78122 -233.21185 6.56937 2.10497 -233.78250 522.51325
5630.0000 -239.17742 -233.16117 6.01625 2.14694 -232.91471 538.89419
5635.0000 -238.55574 -231.15056 7.40518 2.18490 -232.13001 556.99763
5640.0000 -238.06776 -231.67719 6.39057 2.23658 -231.06155 538.40003
5645.0000 -239.35819 -232.38328 6.97491 2.19372 -231.94760 515.03277
5650.0000 -239.50515 -232.17793 7.32722 2.15345 -232.78025 538.41899
5655.0000 -239.81824 -232.71705 7.10119 2.15928 -232.65957 552.85068
5660.0000 -237.57464 -231.18308 6.39155 2.19166 -231.99029 568.35675
5665.0000 -238.49127 -230.92670 7.56456 2.23812 -231.02968 579.29343
5670.0000 -239.37297 -232.64022 6.73274 2.24158 -230.95825 586.82124
5675.0000 -238.34926 -231.70026 6.64900 2.17446 -232.34575 525.85431
5680.0000 -238.76741 -232.44111 6.32630 2.19420 -231.93776 546.33084
5685.0000 -238.94892 -232.05424 6.89468 2.19874 -231.84387 566.97266
5690.0000 -238.65399 -231.95650 6.69749 2.16516 -232.53816 543.49683
5695.0000 -239.44818 -231.93982 7.50836 2.17844 -232.26348 554.18950
5700.0000 -238.67826 -231.94501 6.73325 2.16080 -232.62822 530.35000
5705.0000 -239.02449 -232.43937 6.58512 2.17847 -232.26292 543.32486
5710.0000 -238.26412 -231.76718 6.49693 2.21423 -231.52354 586.65883
5715.0000 -238.19840 -230.98166 7.21674 2.24295 -230.92987 613.75337
5720.0000 -239.39601 -232.40753 6.98849 2.22490 -231.30294 597.13290
5725.0000 -239.52430 -232.80978 6.71453 2.17545 -232.32526 563.64221
5730.0000 -238.82546 -232.14361 6.68185 2.19176 -231.98821 569.34063
5735.0000 -239.87334 -233.66684 6.20651 2.15010 -232.84941 529.76132
5740.0000 -239.02656 -232.32996 6.69660 2.13277 -233.20766 514.53912
5745.0000 -238.20077 -231.37304 6.82773 2.17570 -232.32010 524.63122
5750.0000 -238.51575 -232.38397 6.13178 2.18634 -232.10027 520.88240
FREEZING PROCESS: loop number 24 T-loop= 531.00000000000000
main_MD> interactions number 24 at Temperature= 531.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56155 0.40962 -1.36330
force_rgl> df(natom) -0.12487 2.25468 0.18464
5755.0000 -238.50939 -232.90336 5.60603 2.17886 -232.25490 532.53380
5760.0000 -239.23497 -234.21640 5.01857 2.10577 -233.76585 480.62605
5765.0000 -239.85504 -232.75226 7.10278 2.11678 -233.53819 507.08097
5770.0000 -239.18549 -233.29297 5.89252 2.16486 -232.54426 533.06262
5775.0000 -238.72017 -231.62026 7.09991 2.16406 -232.56078 534.07046
5780.0000 -238.70503 -232.69002 6.01500 2.17507 -232.33324 546.27447
5785.0000 -239.07159 -232.54412 6.52747 2.17037 -232.43045 533.07146
5790.0000 -239.23801 -232.61533 6.62268 2.16052 -232.63408 519.04602
5795.0000 -238.93643 -232.52038 6.41605 2.18839 -232.05780 540.96008
5800.0000 -239.38231 -233.00629 6.37602 2.17019 -232.43418 530.79964
5805.0000 -239.19785 -232.40638 6.79146 2.14903 -232.87152 511.51564
5810.0000 -238.19932 -232.31993 5.87939 2.19416 -231.93855 542.92140
5815.0000 -238.56244 -231.39243 7.17002 2.20863 -231.63942 529.81809
5820.0000 -238.16195 -232.25615 5.90580 2.20444 -231.72598 517.90421
5825.0000 -238.29899 -231.81088 6.48811 2.17345 -232.36676 497.57613
5830.0000 -238.49415 -232.32615 6.16800 2.18898 -232.04560 510.80201
5835.0000 -238.86353 -232.00875 6.85478 2.19968 -231.82437 519.22813
5840.0000 -238.93050 -233.64933 5.28117 2.17244 -232.38758 504.55566
5845.0000 -237.46639 -232.33365 5.13274 2.15191 -232.81206 494.62272
5850.0000 -237.70619 -230.61114 7.09505 2.24462 -230.89535 561.70284
5855.0000 -237.17013 -230.15761 7.01253 2.25250 -230.73247 569.96236
5860.0000 -236.89022 -230.42228 6.46794 2.27378 -230.29251 576.73395
5865.0000 -237.77837 -230.86635 6.91202 2.24062 -230.97803 522.21302
5870.0000 -238.30330 -231.89489 6.40841 2.22772 -231.24476 538.62478
5875.0000 -239.08087 -232.51297 6.56789 2.18845 -232.05662 515.92378
5880.0000 -239.01079 -232.42025 6.59054 2.19068 -232.01050 531.66041
5885.0000 -237.87354 -231.07767 6.79587 2.19482 -231.92493 526.62584
5890.0000 -237.22534 -229.55136 7.67398 2.27377 -230.29270 570.27233
5895.0000 -236.57714 -230.35815 6.21899 2.32627 -229.20739 601.31835
5900.0000 -238.25136 -231.06809 7.18327 2.25986 -230.58024 553.94706
5905.0000 -237.88809 -231.02417 6.86392 2.22247 -231.35319 530.02344
5910.0000 -238.44858 -231.99481 6.45377 2.22227 -231.35750 534.43908
5915.0000 -239.23954 -233.48923 5.75031 2.19022 -232.02007 518.31942
5920.0000 -238.98613 -232.85088 6.13525 2.14741 -232.90503 498.24035
5925.0000 -239.50707 -232.72196 6.78511 2.15508 -232.74658 521.96404
5930.0000 -239.70757 -234.18222 5.52535 2.11945 -233.48315 497.54227
5935.0000 -239.43164 -233.74871 5.68293 2.10921 -233.69476 486.12002
5940.0000 -239.22645 -233.61178 5.61467 2.11604 -233.55362 499.41786
5945.0000 -238.58352 -232.13992 6.44360 2.12156 -233.43946 505.43541
5950.0000 -239.91077 -233.72652 6.18425 2.13331 -233.19659 508.54128
5955.0000 -238.70894 -232.66364 6.04530 2.14142 -233.02889 511.64960
5960.0000 -237.85311 -231.60818 6.24492 2.18550 -232.11767 513.17078
5965.0000 -236.75966 -231.24054 5.51912 2.22014 -231.40137 536.93414
5970.0000 -238.75934 -232.90633 5.85301 2.19423 -231.93718 516.08910
5975.0000 -239.40458 -232.87646 6.52813 2.15730 -232.70054 505.45058
5980.0000 -237.39331 -230.94505 6.44827 2.19539 -231.91307 529.72356
5985.0000 -238.20250 -231.75765 6.44485 2.20816 -231.64904 523.92983
5990.0000 -238.91582 -232.39337 6.52245 2.15767 -232.69304 492.51449
5995.0000 -239.35211 -232.85081 6.50130 2.17671 -232.29928 514.78293
6000.0000 -238.57385 -231.75747 6.81638 2.20579 -231.69819 538.41795
FREEZING PROCESS: loop number 25 T-loop= 506.00000000000000
main_MD> interactions number 25 at Temperature= 506.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87224 -1.92316 0.85111
force_rgl> df(natom) -2.91580 -0.49409 2.33973
6005.0000 -238.98168 -232.28831 6.69337 2.17957 -232.24020 523.60474
6010.0000 -238.79121 -232.80549 5.98572 2.15801 -232.68593 515.34844
6015.0000 -239.09626 -233.18624 5.91002 2.14809 -232.89109 499.61949
6020.0000 -239.66508 -233.32879 6.33629 2.12914 -233.28277 501.40235
6025.0000 -239.04255 -232.40102 6.64153 2.14055 -233.04693 503.37280
6030.0000 -239.33453 -232.61333 6.72120 2.13645 -233.13167 493.83060
6035.0000 -238.00738 -231.68870 6.31868 2.17586 -232.31694 510.19902
6040.0000 -238.08457 -231.62029 6.46428 2.18328 -232.16350 526.66584
6045.0000 -239.31369 -232.09592 7.21777 2.20658 -231.68184 546.03395
6050.0000 -239.01565 -233.41241 5.60325 2.18329 -232.16335 527.21082
6055.0000 -238.39009 -232.19020 6.19990 2.14351 -232.98572 515.71505
6060.0000 -239.24229 -233.07594 6.16636 2.13264 -233.21050 513.23519
6065.0000 -239.57920 -233.05174 6.52746 2.12774 -233.31160 493.90128
6070.0000 -239.36601 -233.26620 6.09981 2.15834 -232.67915 526.60503
6075.0000 -240.01507 -233.69001 6.32506 2.13846 -233.09016 525.51888
6080.0000 -239.45120 -233.09202 6.35918 2.12273 -233.41537 500.51339
6085.0000 -238.24006 -232.00790 6.23216 2.17269 -232.38236 515.89811
6090.0000 -238.95382 -232.91409 6.03973 2.17427 -232.34970 510.04229
6095.0000 -238.41367 -231.97755 6.43611 2.20121 -231.79271 534.10800
6100.0000 -237.65855 -231.83402 5.82454 2.17173 -232.40236 507.30940
6105.0000 -239.18055 -233.24897 5.93158 2.17766 -232.27974 502.73316
6110.0000 -238.30743 -232.06087 6.24656 2.14150 -233.02723 485.81331
6115.0000 -238.69198 -232.10552 6.58646 2.18218 -232.18632 517.69374
6120.0000 -236.99786 -230.52475 6.47312 2.22679 -231.26399 538.83697
6125.0000 -238.63343 -233.23081 5.40263 2.21819 -231.44181 552.13010
6130.0000 -239.04467 -232.03760 7.00707 2.16532 -232.53473 508.43695
6135.0000 -237.31795 -230.72457 6.59338 2.21862 -231.43288 543.94901
6140.0000 -238.57751 -231.14130 7.43622 2.26332 -230.50881 572.32388
6145.0000 -238.83086 -231.99108 6.83978 2.22697 -231.26028 553.21703
6150.0000 -238.87728 -233.34846 5.52882 2.15393 -232.77021 514.00741
6155.0000 -238.81011 -232.53278 6.27733 2.15784 -232.68938 515.95949
6160.0000 -238.32301 -232.93309 5.38992 2.19006 -232.02336 548.14944
6165.0000 -239.48692 -232.97611 6.51081 2.14519 -232.95093 526.13734
6170.0000 -239.68302 -233.52410 6.15892 2.14500 -232.95489 534.38904
6175.0000 -240.00978 -233.83937 6.17041 2.10950 -233.68887 521.03480
6180.0000 -240.37973 -234.47449 5.90523 2.09462 -233.99650 507.87659
6185.0000 -240.29374 -233.68984 6.60390 2.09879 -233.91022 523.61829
6190.0000 -240.13539 -233.70100 6.43438 2.11090 -233.65983 520.66830
6195.0000 -239.48486 -233.26600 6.21886 2.12716 -233.32361 519.85953
6200.0000 -240.90306 -235.01238 5.89068 2.10090 -233.86666 497.07052
6205.0000 -240.03764 -234.17384 5.86380 2.07189 -234.46634 493.88130
6210.0000 -240.00459 -233.75614 6.24845 2.07872 -234.32513 505.47638
6215.0000 -240.22153 -233.90227 6.31926 2.10983 -233.68195 534.72871
6220.0000 -241.23812 -234.10928 7.12884 2.06628 -234.58233 499.68782
6225.0000 -241.11512 -234.31831 6.79682 2.11429 -233.58969 529.26475
6230.0000 -240.31355 -234.82619 5.48736 2.05928 -234.72710 489.09588
6235.0000 -239.95911 -233.56332 6.39580 2.09982 -233.88899 512.53559
6240.0000 -240.32581 -234.91381 5.41200 2.06744 -234.55824 473.00345
6245.0000 -241.34392 -234.69977 6.64416 2.06646 -234.57868 495.34587
6250.0000 -239.98600 -234.42163 5.56438 2.07590 -234.38349 500.72772
FREEZING PROCESS: loop number 26 T-loop= 481.00000000000000
main_MD> interactions number 26 at Temperature= 481.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11943 1.80369 -1.83937
force_rgl> df(natom) 0.72330 -0.21388 -0.50389
6255.0000 -240.88364 -235.56864 5.31500 2.04320 -235.05947 487.80408
6260.0000 -239.01267 -233.62488 5.38780 2.05441 -234.82761 489.07872
6265.0000 -240.01831 -233.84759 6.17071 2.12671 -233.33295 520.73721
6270.0000 -240.43900 -234.53410 5.90489 2.10730 -233.73428 495.94261
6275.0000 -239.17958 -234.43753 4.74205 2.08130 -234.27173 473.15788
6280.0000 -238.90214 -233.47844 5.42370 2.11825 -233.50788 456.35891
6285.0000 -239.17388 -233.15367 6.02021 2.15086 -232.83374 487.53861
6290.0000 -237.54397 -231.59649 5.94748 2.19991 -231.81974 520.99986
6295.0000 -238.98178 -233.28001 5.70177 2.17615 -232.31094 525.02321
6300.0000 -238.91374 -233.54300 5.37075 2.12557 -233.35647 487.04029
6305.0000 -240.83211 -234.24222 6.58988 2.10081 -233.86847 500.90763
6310.0000 -239.80327 -233.70570 6.09757 2.08577 -234.17938 485.97174
6315.0000 -239.39739 -233.31222 6.08518 2.11782 -233.51674 502.65102
6320.0000 -238.29839 -232.20855 6.08984 2.14707 -232.91210 507.79125
6325.0000 -238.36477 -232.72832 5.63645 2.17422 -232.35087 523.18153
6330.0000 -239.07200 -233.06622 6.00578 2.13641 -233.13246 480.00052
6335.0000 -239.10447 -232.64181 6.46266 2.16861 -232.46679 497.81991
6340.0000 -239.65631 -232.84239 6.81392 2.14985 -232.85466 493.40442
6345.0000 -239.22714 -233.39141 5.83573 2.13300 -233.20296 479.87133
6350.0000 -239.64261 -233.16578 6.47683 2.09754 -233.93609 469.92111
6355.0000 -239.45310 -234.17441 5.27869 2.07863 -234.32700 467.69069
6360.0000 -240.13467 -234.15247 5.98220 2.09295 -234.03087 469.75576
6365.0000 -238.69971 -233.41552 5.28419 2.12039 -233.46361 493.93451
6370.0000 -239.08854 -233.21434 5.87421 2.12342 -233.40100 505.84634
6375.0000 -239.38153 -233.53814 5.84338 2.12969 -233.27134 502.24830
6380.0000 -240.07171 -234.45670 5.61501 2.07516 -234.39863 459.25421
6385.0000 -239.95998 -234.80865 5.15133 2.08814 -234.13031 477.51711
6390.0000 -238.65767 -232.25694 6.40073 2.10121 -233.86011 458.83138
6395.0000 -239.40060 -232.07554 7.32506 2.16105 -232.62299 520.99038
6400.0000 -239.29737 -233.49613 5.80124 2.14580 -232.93841 522.45328
6405.0000 -239.96260 -233.10552 6.85709 2.12937 -233.27806 509.28861
6410.0000 -239.43646 -233.78106 5.65540 2.12887 -233.28837 505.49398
6415.0000 -240.52467 -234.39363 6.13103 2.09406 -234.00809 491.97451
6420.0000 -240.07848 -234.15762 5.92086 2.10472 -233.78762 487.10832
6425.0000 -240.68351 -235.14642 5.53710 2.08245 -234.24802 479.48519
6430.0000 -240.11771 -233.93554 6.18217 2.08203 -234.25679 472.68384
6435.0000 -239.74161 -233.74385 5.99776 2.11434 -233.58865 492.77679
6440.0000 -239.42924 -233.06464 6.36461 2.12400 -233.38893 498.27855
6445.0000 -238.86946 -232.07142 6.79804 2.18463 -232.13563 521.62675
6450.0000 -238.95533 -232.96138 5.99395 2.17159 -232.40511 488.96739
6455.0000 -238.21236 -231.64424 6.56812 2.17961 -232.23933 513.57421
6460.0000 -239.07506 -232.69114 6.38393 2.19758 -231.86779 531.27541
6465.0000 -239.60832 -233.42478 6.18354 2.13096 -233.24504 510.73402
6470.0000 -240.22959 -233.33939 6.89020 2.11983 -233.47526 495.54352
6475.0000 -240.48778 -234.53744 5.95034 2.10490 -233.78399 492.43734
6480.0000 -240.14970 -234.20427 5.94543 2.07461 -234.41003 475.27648
6485.0000 -240.72758 -234.80116 5.92642 2.07624 -234.37636 484.38174
6490.0000 -241.25049 -235.75683 5.49366 2.05614 -234.79203 488.47496
6495.0000 -241.40462 -235.35657 6.04805 2.04323 -235.05879 481.20277
6500.0000 -241.05304 -234.81335 6.23969 2.01450 -235.65279 462.97822
FREEZING PROCESS: loop number 27 T-loop= 456.00000000000000
main_MD> interactions number 27 at Temperature= 456.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.15952 -0.49680 -0.79442
force_rgl> df(natom) 0.74420 1.28872 -0.11746
6505.0000 -241.11429 -235.61975 5.49455 2.05839 -234.74552 491.34008
6510.0000 -241.16552 -235.62621 5.53931 2.00022 -235.94811 445.27961
6515.0000 -241.75605 -235.89697 5.85908 2.01352 -235.67308 453.92640
6520.0000 -241.60846 -236.19302 5.41544 1.99058 -236.14737 446.37309
6525.0000 -241.56596 -235.49346 6.07249 2.01762 -235.58830 468.51894
6530.0000 -241.72588 -236.23618 5.48970 2.02065 -235.52560 468.36081
6535.0000 -241.40056 -235.77143 5.62914 2.00649 -235.81838 451.59441
6540.0000 -241.64443 -235.30607 6.33836 1.99046 -236.14977 442.85590
6545.0000 -240.64318 -234.90483 5.73835 2.01828 -235.57462 467.13430
6550.0000 -240.10437 -235.00257 5.10181 2.04039 -235.11760 485.55710
6555.0000 -240.90695 -234.85646 6.05049 2.04614 -234.99863 478.42960
6560.0000 -240.79399 -235.32805 5.46594 2.03649 -235.19820 456.67596
6565.0000 -241.12889 -235.45528 5.67361 2.01736 -235.59367 454.98050
6570.0000 -241.74643 -236.28891 5.45751 2.00471 -235.85511 458.71288
6575.0000 -240.81503 -234.88624 5.92879 1.99390 -236.07862 451.77264
6580.0000 -241.32511 -235.67791 5.64720 2.02349 -235.46702 462.87873
6585.0000 -241.44375 -236.28652 5.15723 2.00438 -235.86193 462.74562
6590.0000 -241.61083 -235.61290 5.99793 1.97440 -236.48176 438.98918
6595.0000 -240.86780 -235.07365 5.79415 2.03861 -235.15438 489.96592
6600.0000 -241.28189 -235.86646 5.41543 2.02331 -235.47070 461.02437
6605.0000 -242.15428 -235.34160 6.81268 2.02426 -235.45102 478.05393
6610.0000 -241.74677 -235.31121 6.43556 1.99786 -235.99671 459.59502
6615.0000 -241.70362 -235.91451 5.78911 2.02568 -235.42162 473.14336
6620.0000 -241.97196 -236.95817 5.01379 1.95566 -236.86934 420.85662
6625.0000 -242.07194 -236.25186 5.82008 1.97307 -236.50939 439.87331
6630.0000 -241.00191 -235.63212 5.36978 2.00956 -235.75502 470.34145
6635.0000 -241.48455 -235.84258 5.64196 2.02455 -235.44497 478.53620
6640.0000 -241.71019 -236.43240 5.27778 1.97422 -236.48553 444.53202
6645.0000 -242.70548 -237.61624 5.08924 1.95193 -236.94637 424.00670
6650.0000 -241.09788 -235.46892 5.62896 1.98853 -236.18976 448.87485
6655.0000 -240.47030 -235.71180 4.75851 2.00873 -235.77204 462.78995
6660.0000 -240.87174 -235.72143 5.15031 2.00634 -235.82150 458.86161
6665.0000 -240.59473 -235.56118 5.03356 2.00964 -235.75333 458.94580
6670.0000 -241.96904 -235.63248 6.33657 2.01579 -235.62607 445.61423
6675.0000 -242.07232 -235.83968 6.23265 2.00463 -235.85694 442.98389
6680.0000 -240.48195 -235.60812 4.87382 2.02658 -235.40307 453.82891
6685.0000 -240.58333 -235.46565 5.11767 2.00674 -235.81317 428.18400
6690.0000 -240.54647 -235.49299 5.05348 2.02544 -235.42659 443.24514
6695.0000 -240.81079 -234.47643 6.33437 2.04749 -234.97080 457.14061
6700.0000 -240.54644 -234.99105 5.55539 2.07014 -234.50261 482.46409
6705.0000 -239.84905 -234.61683 5.23222 2.06499 -234.60898 480.92548
6710.0000 -240.29360 -234.29604 5.99755 2.06016 -234.70885 481.95968
6715.0000 -241.32248 -236.36569 4.95679 2.04736 -234.97346 470.42375
6720.0000 -241.75499 -236.82898 4.92601 1.96100 -236.75888 400.67969
6725.0000 -241.86323 -236.95035 4.91288 1.94474 -237.09493 403.83182
6730.0000 -241.53179 -236.70234 4.82944 1.95391 -236.90533 408.21837
6735.0000 -242.12989 -236.76008 5.36982 1.96258 -236.72609 411.27112
6740.0000 -242.30572 -236.99324 5.31248 1.98617 -236.23838 430.50984
6745.0000 -241.54719 -235.83698 5.71020 1.95425 -236.89833 418.11382
6750.0000 -241.05787 -235.05234 6.00553 2.00645 -235.81930 468.32213
FREEZING PROCESS: loop number 28 T-loop= 431.00000000000000
main_MD> interactions number 28 at Temperature= 431.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30253 -0.02184 0.69550
force_rgl> df(natom) -0.11115 1.99055 1.16398
6755.0000 -241.86155 -236.88475 4.97680 2.01379 -235.66752 470.23845
6760.0000 -241.97735 -237.80304 4.17431 1.91968 -237.61299 395.02930
6765.0000 -241.76656 -237.06203 4.70454 1.92327 -237.53893 408.34834
6770.0000 -242.11857 -237.25061 4.86796 1.95365 -236.91082 430.85068
6775.0000 -242.51393 -237.58446 4.92947 1.91917 -237.62359 392.38358
6780.0000 -242.71523 -237.55113 5.16410 1.92937 -237.41273 408.96240
6785.0000 -242.18702 -237.34778 4.83924 1.92723 -237.45691 412.72379
6790.0000 -243.40288 -237.62590 5.77697 1.92664 -237.46916 408.64938
6795.0000 -242.50793 -236.96508 5.54285 1.92400 -237.52368 408.88897
6800.0000 -242.88453 -238.47570 4.40883 1.91114 -237.78956 396.96267
6805.0000 -242.41934 -236.86127 5.55807 1.89325 -238.15947 379.82174
6810.0000 -242.03743 -237.51183 4.52560 1.91315 -237.74809 401.25562
6815.0000 -242.78394 -237.97096 4.81297 1.90677 -237.88005 390.72117
6820.0000 -242.36905 -237.08903 5.28002 1.92654 -237.47121 413.97816
6825.0000 -242.42492 -237.02014 5.40478 1.94845 -237.01840 422.76764
6830.0000 -242.46864 -237.43610 5.03254 1.95318 -236.92059 430.57975
6835.0000 -241.71888 -236.80320 4.91567 1.96383 -236.70029 435.53942
6840.0000 -241.91457 -237.28287 4.63170 1.92938 -237.41257 408.24644
6845.0000 -241.88812 -236.35302 5.53510 1.94892 -237.00856 419.78501
6850.0000 -242.54221 -235.82464 6.71758 2.01037 -235.73827 471.29603
6855.0000 -242.33502 -236.90270 5.43231 1.99390 -236.07858 455.87468
6860.0000 -242.39503 -237.47767 4.91736 1.94044 -237.18391 412.05876
6865.0000 -242.39306 -236.94322 5.44984 1.91807 -237.64644 399.75851
6870.0000 -242.45204 -237.25221 5.19982 1.95892 -236.80183 428.84343
6875.0000 -242.15472 -237.15737 4.99735 1.92438 -237.51596 409.13498
6880.0000 -242.45287 -237.31914 5.13374 1.93045 -237.39043 411.12541
6885.0000 -242.56226 -236.72536 5.83690 1.94016 -237.18961 419.94948
6890.0000 -242.12227 -237.13978 4.98249 1.94626 -237.06362 430.17110
6895.0000 -242.14092 -236.89010 5.25082 1.91360 -237.73885 405.55190
6900.0000 -242.40545 -237.41055 4.99490 1.94133 -237.16543 421.97917
6905.0000 -242.44511 -237.38695 5.05816 1.93770 -237.24048 412.77516
6910.0000 -242.35263 -237.01973 5.33291 1.94458 -237.09823 414.91887
6915.0000 -241.97501 -235.95607 6.01894 1.97651 -236.43811 441.05323
6920.0000 -241.78196 -236.91751 4.86444 1.96700 -236.63490 440.44767
6925.0000 -242.17841 -236.89521 5.28320 1.97031 -236.56638 442.75263
6930.0000 -242.36925 -238.00901 4.36024 1.92559 -237.49081 411.20425
6935.0000 -242.31432 -237.57584 4.73848 1.92915 -237.41735 412.89805
6940.0000 -241.98389 -237.61446 4.36943 1.93061 -237.38707 414.62208
6945.0000 -241.82490 -236.30700 5.51790 1.93213 -237.35562 408.36620
6950.0000 -241.98847 -236.87345 5.11502 1.94843 -237.01868 425.32342
6955.0000 -241.52647 -236.67544 4.85103 1.97736 -236.42061 454.42482
6960.0000 -242.15058 -236.06451 6.08606 1.97892 -236.38846 447.70033
6965.0000 -242.03448 -236.81521 5.21927 1.98950 -236.16968 452.65959
6970.0000 -242.23264 -237.19177 5.04087 1.94479 -237.09387 416.00021
6975.0000 -242.12665 -237.64443 4.48222 1.92587 -237.48501 394.86663
6980.0000 -241.73968 -236.75757 4.98211 1.92690 -237.46377 399.94862
6985.0000 -241.53641 -236.19433 5.34208 1.96478 -236.68079 428.73406
6990.0000 -242.35521 -236.81124 5.54397 1.98422 -236.27886 444.48342
6995.0000 -241.58548 -235.91035 5.67513 1.98294 -236.30523 441.97127
7000.0000 -241.35664 -235.82372 5.53291 1.99860 -235.98147 452.39272
FREEZING PROCESS: loop number 29 T-loop= 406.00000000000000
main_MD> interactions number 29 at Temperature= 406.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77086 -1.00271 0.52320
force_rgl> df(natom) -1.90724 0.45533 0.13931
7005.0000 -241.97331 -236.96005 5.01326 1.96821 -236.60970 431.27922
7010.0000 -241.60538 -237.43768 4.16770 1.92637 -237.47474 391.66859
7015.0000 -242.28125 -237.08945 5.19180 1.93215 -237.35520 403.30866
7020.0000 -242.44097 -237.68444 4.75653 1.94004 -237.19213 408.06757
7025.0000 -243.08749 -238.16164 4.92584 1.89498 -238.12366 372.19435
7030.0000 -243.08181 -238.44609 4.63572 1.89425 -238.13888 376.33026
7035.0000 -242.70690 -237.36942 5.33748 1.92260 -237.55271 393.28370
7040.0000 -242.66051 -238.12158 4.53893 1.92726 -237.45636 401.91193
7045.0000 -242.54811 -237.59490 4.95322 1.90520 -237.91237 383.76157
7050.0000 -242.62012 -237.92869 4.69143 1.93745 -237.24562 405.07435
7055.0000 -242.33823 -237.81591 4.52232 1.91921 -237.62277 394.20543
7060.0000 -241.74039 -237.03640 4.70399 1.91006 -237.81195 396.14371
7065.0000 -242.01697 -236.13441 5.88256 1.98321 -236.29971 447.70109
7070.0000 -241.89942 -236.83929 5.06013 1.97148 -236.54217 425.88758
7075.0000 -243.44922 -238.59441 4.85481 1.92616 -237.47920 401.03761
7080.0000 -242.87283 -238.15586 4.71697 1.88527 -238.32446 372.39905
7085.0000 -242.66550 -238.01928 4.64622 1.89235 -238.17818 371.18680
7090.0000 -242.58650 -237.87972 4.70678 1.89212 -238.18276 371.43782
7095.0000 -242.10533 -236.30808 5.79724 1.94284 -237.13430 406.65300
7100.0000 -241.49428 -236.22857 5.26571 1.99023 -236.15446 435.17859
7105.0000 -241.07683 -236.56584 4.51099 1.97762 -236.41529 427.95919
7110.0000 -241.67549 -236.23352 5.44197 1.97802 -236.40690 428.05434
7115.0000 -242.45393 -237.20668 5.24725 1.96215 -236.73498 424.11358
7120.0000 -242.13222 -237.32077 4.81145 1.95440 -236.89527 414.58081
7125.0000 -241.80484 -236.88889 4.91594 1.93911 -237.21130 402.62176
7130.0000 -242.38286 -237.21601 5.16685 1.96000 -236.77950 418.63858
7135.0000 -242.32116 -237.70768 4.61348 1.93002 -237.39935 393.63192
7140.0000 -241.93509 -237.40317 4.53192 1.93270 -237.34381 403.47641
7145.0000 -242.83410 -238.53109 4.30301 1.89265 -238.17180 371.30404
7150.0000 -242.55731 -237.45804 5.09927 1.90575 -237.90097 386.40595
7155.0000 -242.58829 -238.01196 4.57632 1.92566 -237.48944 401.21493
7160.0000 -241.87921 -237.40195 4.47726 1.89944 -238.03148 381.47018
7165.0000 -242.09478 -236.87527 5.21951 1.92457 -237.51205 397.90406
7170.0000 -241.15341 -236.57320 4.58021 1.95236 -236.93748 413.52433
7175.0000 -242.06930 -236.77264 5.29667 1.93765 -237.24152 400.14276
7180.0000 -241.67850 -237.11345 4.56505 1.94923 -237.00225 410.08342
7185.0000 -242.46192 -236.87136 5.59055 1.94763 -237.03530 405.00624
7190.0000 -242.36936 -236.95573 5.41363 1.95842 -236.81211 424.16800
7195.0000 -242.38847 -237.06325 5.32521 1.94044 -237.18382 406.70443
7200.0000 -242.75875 -237.29464 5.46411 1.91537 -237.70219 393.00105
7205.0000 -242.53885 -238.02457 4.51428 1.92245 -237.55576 395.34383
7210.0000 -241.90849 -236.62249 5.28600 1.92147 -237.57615 390.66072
7215.0000 -242.10278 -236.86276 5.24002 1.96441 -236.68844 427.67740
7220.0000 -242.13296 -237.26666 4.86630 1.93484 -237.29972 399.96190
7225.0000 -242.90776 -237.93859 4.96918 1.93172 -237.36415 412.77548
7230.0000 -242.19463 -237.51578 4.67884 1.91069 -237.79896 394.23277
7235.0000 -242.65337 -237.46981 5.18356 1.95858 -236.80897 431.86322
7240.0000 -242.34443 -237.45226 4.89217 1.93306 -237.33640 416.58488
7245.0000 -242.55234 -237.72770 4.82464 1.94375 -237.11553 422.79560
7250.0000 -242.73402 -237.26017 5.47385 1.92483 -237.50659 407.46929
FREEZING PROCESS: loop number 30 T-loop= 381.00000000000000
main_MD> interactions number 30 at Temperature= 381.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16478 -1.19624 -0.51323
force_rgl> df(natom) 1.30397 -1.84678 2.84027
7255.0000 -241.79418 -236.99666 4.79752 1.93219 -237.35450 424.40696
7260.0000 -242.66002 -237.62194 5.03808 1.92202 -237.56471 406.46643
7265.0000 -242.78849 -237.45007 5.33842 1.91371 -237.73652 387.59783
7270.0000 -242.37076 -237.54693 4.82383 1.93729 -237.24896 408.37067
7275.0000 -242.47529 -237.90457 4.57072 1.90087 -238.00199 379.18314
7280.0000 -242.38244 -237.32708 5.05536 1.92547 -237.49342 397.86512
7285.0000 -241.60156 -237.06770 4.53387 1.95150 -236.95533 417.63578
7290.0000 -242.95138 -237.94567 5.00571 1.91984 -237.60974 404.89906
7295.0000 -242.97673 -238.14642 4.83031 1.89229 -238.17939 386.85853
7300.0000 -242.62272 -238.79370 3.82902 1.87529 -238.53088 370.93701
7305.0000 -242.92314 -238.23581 4.68733 1.88751 -238.27822 380.02779
7310.0000 -242.83262 -238.03978 4.79283 1.88688 -238.29125 380.32448
7315.0000 -242.61403 -238.52672 4.08731 1.86591 -238.72463 360.86226
7320.0000 -242.29751 -238.02441 4.27310 1.87552 -238.52610 359.27454
7325.0000 -241.55052 -237.31464 4.23588 1.90466 -237.92360 371.90478
7330.0000 -242.61403 -237.40387 5.21017 1.92903 -237.41987 391.41779
7335.0000 -242.57755 -237.37708 5.20047 1.90744 -237.86612 380.60435
7340.0000 -242.55951 -238.41253 4.14699 1.90997 -237.81374 383.57494
7345.0000 -242.56760 -238.29185 4.27575 1.88471 -238.33611 366.23458
7350.0000 -242.11112 -237.71602 4.39510 1.89318 -238.16099 367.94181
7355.0000 -242.36859 -238.00424 4.36435 1.90303 -237.95723 371.93335
7360.0000 -242.63744 -238.14681 4.49063 1.87974 -238.43886 356.25862
7365.0000 -242.68527 -237.74120 4.94407 1.92291 -237.54638 390.79573
7370.0000 -242.39101 -237.51335 4.87766 1.94312 -237.12842 402.53854
7375.0000 -243.01018 -237.52627 5.48391 1.93116 -237.37565 401.35433
7380.0000 -242.52543 -237.57330 4.95213 1.90685 -237.87837 381.59056
7385.0000 -242.74259 -238.11953 4.62306 1.91515 -237.70676 396.19835
7390.0000 -243.35544 -238.50532 4.85012 1.89449 -238.13387 383.64650
7395.0000 -242.63804 -237.92596 4.71208 1.90600 -237.89582 391.90311
7400.0000 -242.81386 -238.13002 4.68383 1.89807 -238.05976 384.83109
7405.0000 -243.36654 -238.58574 4.78080 1.89235 -238.17809 384.09996
7410.0000 -242.91600 -238.49414 4.42185 1.88697 -238.28928 376.71230
7415.0000 -243.11173 -238.15009 4.96164 1.88851 -238.25749 377.16354
7420.0000 -242.83775 -239.06991 3.76784 1.85376 -238.97583 350.38112
7425.0000 -242.91194 -238.91920 3.99274 1.86270 -238.79116 353.68184
7430.0000 -242.68325 -237.80999 4.87326 1.87566 -238.52321 369.35883
7435.0000 -242.57167 -238.06432 4.50735 1.91266 -237.75824 391.52886
7440.0000 -242.42329 -237.99664 4.42665 1.90357 -237.94616 375.16391
7445.0000 -242.90048 -238.57732 4.32316 1.87113 -238.61678 359.88437
7450.0000 -242.82933 -237.95943 4.86991 1.89042 -238.21807 378.14833
7455.0000 -242.74788 -237.40232 5.34556 1.91233 -237.76495 400.83587
7460.0000 -243.08925 -239.06714 4.02211 1.88569 -238.31576 375.90738
7465.0000 -243.03969 -238.70448 4.33521 1.86115 -238.82316 354.91751
7470.0000 -243.19024 -238.86949 4.32075 1.87525 -238.53155 365.01467
7475.0000 -242.81376 -238.38722 4.42654 1.88783 -238.27148 377.35237
7480.0000 -242.69361 -238.55735 4.13626 1.86756 -238.69060 361.54550
7485.0000 -243.18555 -238.86844 4.31711 1.84567 -239.14317 344.75220
7490.0000 -242.55435 -238.09914 4.45520 1.87394 -238.55864 365.65351
7495.0000 -242.23558 -237.34244 4.89314 1.89973 -238.02557 381.71319
7500.0000 -242.46143 -237.27260 5.18883 1.93112 -237.37666 399.50248
FREEZING PROCESS: loop number 31 T-loop= 356.00000000000000
main_MD> interactions number 31 at Temperature= 356.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.70669 2.04076 0.17033
force_rgl> df(natom) 0.44843 0.88655 -1.86397
7505.0000 -242.68261 -238.57863 4.10397 1.90929 -237.82780 384.92157
7510.0000 -242.87203 -238.59057 4.28146 1.88812 -238.26564 366.57125
7515.0000 -242.90004 -238.31105 4.58899 1.89343 -238.15577 371.91502
7520.0000 -242.71159 -238.05394 4.65765 1.89161 -238.19345 366.59052
7525.0000 -242.90222 -238.78835 4.11387 1.88033 -238.42661 360.76421
7530.0000 -243.22360 -238.75590 4.46771 1.86591 -238.72461 351.75935
7535.0000 -242.72127 -239.08924 3.63203 1.85045 -239.04423 337.06563
7540.0000 -242.87526 -238.61344 4.26181 1.87554 -238.52558 357.17877
7545.0000 -242.74996 -238.38494 4.36502 1.88979 -238.23097 363.33863
7550.0000 -242.42704 -237.89846 4.52858 1.88989 -238.22902 363.80820
7555.0000 -243.14116 -239.13851 4.00265 1.88359 -238.35917 362.86585
7560.0000 -243.40578 -240.01945 3.38633 1.82366 -239.59817 310.41837
7565.0000 -243.40800 -239.02557 4.38243 1.82809 -239.50656 316.47597
7570.0000 -243.17878 -239.10889 4.06989 1.84669 -239.12214 330.24460
7575.0000 -242.45016 -237.95905 4.49111 1.86879 -238.66522 350.78354
7580.0000 -242.35313 -238.25255 4.10058 1.89325 -238.15949 365.94145
7585.0000 -242.55935 -237.87383 4.68551 1.90632 -237.88933 378.95330
7590.0000 -242.89608 -238.67308 4.22300 1.88910 -238.24535 367.60049
7595.0000 -243.75793 -239.19823 4.55970 1.85260 -238.99981 342.11396
7600.0000 -243.09811 -239.37044 3.72768 1.85373 -238.97651 338.23276
7605.0000 -243.20883 -239.58514 3.62369 1.83692 -239.32414 324.95366
7610.0000 -243.54986 -239.44048 4.10939 1.81996 -239.67457 313.47570
7615.0000 -243.62271 -239.63704 3.98567 1.82959 -239.47553 332.35928
7620.0000 -243.63639 -239.49764 4.13875 1.82937 -239.48020 331.25436
7625.0000 -243.50399 -239.29901 4.20497 1.83422 -239.37994 333.01912
7630.0000 -243.68365 -239.35950 4.32415 1.82986 -239.47009 331.45401
7635.0000 -243.82810 -240.06100 3.76710 1.82229 -239.62658 325.58015
7640.0000 -243.03752 -239.23430 3.80322 1.80463 -239.99152 313.39541
7645.0000 -243.01064 -238.32531 4.68533 1.84246 -239.20960 341.30668
7650.0000 -242.81946 -238.54654 4.27293 1.87730 -238.48922 367.40849
7655.0000 -242.92594 -239.30615 3.61978 1.85583 -238.93320 351.62366
7660.0000 -242.84751 -238.97460 3.87291 1.82870 -239.49403 331.41631
7665.0000 -243.06325 -238.38207 4.68118 1.87644 -238.50711 371.63056
7670.0000 -242.36819 -237.39695 4.97124 1.90075 -238.00453 385.66004
7675.0000 -242.45765 -238.26424 4.19341 1.90951 -237.82333 393.99293
7680.0000 -243.60320 -238.95928 4.64391 1.86026 -238.84142 344.16676
7685.0000 -243.28208 -239.47881 3.80327 1.82521 -239.56615 317.31404
7690.0000 -243.15493 -238.94929 4.20564 1.85619 -238.92556 342.42146
7695.0000 -243.20870 -238.35971 4.84899 1.89385 -238.14718 372.50877
7700.0000 -243.19581 -238.59511 4.60069 1.88374 -238.35615 363.12583
7705.0000 -242.50384 -238.44749 4.05635 1.88849 -238.25799 368.50259
7710.0000 -243.83236 -239.33343 4.49893 1.86101 -238.82595 359.30333
7715.0000 -243.34498 -238.82916 4.51582 1.85246 -239.00287 355.36766
7720.0000 -242.95309 -238.03448 4.91861 1.85351 -238.98105 352.68299
7725.0000 -243.01408 -238.39910 4.61497 1.89370 -238.15013 384.14380
7730.0000 -244.00708 -239.58584 4.42124 1.83954 -239.26988 343.12001
7735.0000 -243.23343 -238.93557 4.29786 1.85329 -238.98554 356.36799
7740.0000 -243.47850 -239.21104 4.26746 1.85884 -238.87086 359.39280
7745.0000 -242.99474 -238.31801 4.67672 1.86002 -238.84654 359.15926
7750.0000 -242.96535 -238.37749 4.58786 1.88102 -238.41225 378.86060
FREEZING PROCESS: loop number 32 T-loop= 331.00000000000000
main_MD> interactions number 32 at Temperature= 331.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84438 0.15816 0.72907
force_rgl> df(natom) -0.07301 1.17787 -0.02155
7755.0000 -243.22107 -239.50863 3.71244 1.85123 -239.02823 354.53656
7760.0000 -243.72731 -239.05538 4.67193 1.84177 -239.22384 345.42083
7765.0000 -243.69527 -239.58665 4.10862 1.82928 -239.48199 337.60936
7770.0000 -244.21680 -240.33224 3.88456 1.81455 -239.78653 323.88078
7775.0000 -244.26246 -240.31805 3.94441 1.79376 -240.21638 305.32095
7780.0000 -243.36948 -239.70835 3.66114 1.80618 -239.95946 315.30129
7785.0000 -243.42120 -238.85620 4.56500 1.84226 -239.21359 345.37787
7790.0000 -243.92523 -240.05702 3.86821 1.83307 -239.40354 341.13862
7795.0000 -243.60023 -239.61331 3.98692 1.81299 -239.81871 323.44688
7800.0000 -243.53936 -239.40759 4.13177 1.83123 -239.44157 335.40555
7805.0000 -243.25561 -239.68260 3.57301 1.83167 -239.43256 337.37667
7810.0000 -243.69193 -240.10715 3.58478 1.80389 -240.00686 315.93714
7815.0000 -243.37999 -239.48552 3.89448 1.81422 -239.79337 322.99606
7820.0000 -243.24212 -239.24273 3.99939 1.83558 -239.35167 338.67730
7825.0000 -243.20733 -239.12000 4.08733 1.83959 -239.26876 342.17967
7830.0000 -243.65919 -239.22992 4.42927 1.83256 -239.41421 339.17494
7835.0000 -243.52667 -239.12717 4.39950 1.85118 -239.02923 350.83310
7840.0000 -243.37815 -239.32137 4.05678 1.84005 -239.25930 341.74590
7845.0000 -243.41234 -239.54994 3.86239 1.83679 -239.32678 331.68360
7850.0000 -243.61131 -238.96592 4.64538 1.85155 -239.02153 336.59917
7855.0000 -243.41063 -238.79309 4.61754 1.85439 -238.96291 351.93763
7860.0000 -243.80695 -240.10100 3.70595 1.83694 -239.32358 341.96298
7865.0000 -243.82806 -240.37704 3.45102 1.78133 -240.47331 298.38263
7870.0000 -243.53757 -239.30634 4.23123 1.79703 -240.14865 311.23213
7875.0000 -243.87957 -239.25426 4.62531 1.83201 -239.42550 339.78890
7880.0000 -244.17946 -240.54307 3.63640 1.84582 -239.14004 350.17131
7885.0000 -243.96018 -240.37811 3.58207 1.78007 -240.49924 297.42598
7890.0000 -243.97765 -239.99251 3.98514 1.81773 -239.72073 325.91395
7895.0000 -243.62033 -239.89616 3.72417 1.83288 -239.40762 337.73874
7900.0000 -244.18284 -239.87358 4.30926 1.82032 -239.66732 328.81392
7905.0000 -243.57748 -239.06612 4.51137 1.83264 -239.41261 336.58186
7910.0000 -243.66644 -239.42444 4.24199 1.85588 -238.93204 361.60756
7915.0000 -243.83212 -240.00887 3.82325 1.82036 -239.66649 330.36973
7920.0000 -243.83234 -239.46895 4.36339 1.81335 -239.81134 323.70440
7925.0000 -243.29438 -239.59017 3.70421 1.82237 -239.62491 332.34002
7930.0000 -243.59494 -239.66473 3.93021 1.83498 -239.36411 338.29336
7935.0000 -243.68088 -239.33142 4.34946 1.82479 -239.57487 332.46046
7940.0000 -243.38051 -239.81063 3.56988 1.82047 -239.66409 328.10636
7945.0000 -243.29570 -239.43765 3.85805 1.82316 -239.60851 335.38170
7950.0000 -243.84400 -239.44167 4.40233 1.85975 -238.85208 359.78218
7955.0000 -243.15783 -239.30725 3.85058 1.83256 -239.41409 338.84393
7960.0000 -244.14399 -240.11746 4.02653 1.81816 -239.71180 325.59814
7965.0000 -243.79496 -239.33290 4.46206 1.81057 -239.86887 320.49733
7970.0000 -243.99865 -240.29138 3.70727 1.80387 -240.00732 315.86199
7975.0000 -243.92875 -240.10405 3.82470 1.80481 -239.98782 316.10180
7980.0000 -243.92907 -239.86896 4.06011 1.79453 -240.20039 308.09082
7985.0000 -244.07843 -239.40064 4.67779 1.83103 -239.44590 339.59902
7990.0000 -243.73920 -239.77625 3.96295 1.80767 -239.92871 318.93744
7995.0000 -243.92780 -240.44567 3.48213 1.81067 -239.86672 321.56674
8000.0000 -243.33772 -240.12258 3.21515 1.79869 -240.11436 309.39522
FREEZING PROCESS: loop number 33 T-loop= 306.00000000000000
main_MD> interactions number 33 at Temperature= 306.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44330 2.17468 1.04902
force_rgl> df(natom) -0.00667 -0.04671 1.31657
8005.0000 -243.51636 -239.89688 3.61948 1.80734 -239.93547 316.72255
8010.0000 -244.11425 -240.01348 4.10078 1.78729 -240.35014 302.33056
8015.0000 -243.55390 -239.12903 4.42487 1.82627 -239.54427 332.83015
8020.0000 -243.31311 -239.42413 3.88898 1.84431 -239.17119 346.05432
8025.0000 -243.97189 -239.88379 4.08810 1.81763 -239.72284 327.64688
8030.0000 -244.07049 -240.44664 3.62385 1.79892 -240.10969 311.44382
8035.0000 -244.33131 -240.56337 3.76794 1.78724 -240.35109 301.18152
8040.0000 -244.29026 -240.70445 3.58581 1.77716 -240.55958 293.48073
8045.0000 -243.66807 -239.62632 4.04176 1.79395 -240.21231 308.56934
8050.0000 -243.33474 -239.10981 4.22493 1.84726 -239.11029 351.25927
8055.0000 -243.83194 -239.61086 4.22109 1.82562 -239.55756 331.56950
8060.0000 -243.72731 -239.87573 3.85158 1.81075 -239.86503 321.13556
8065.0000 -243.94438 -239.82492 4.11946 1.81175 -239.84444 325.07448
8070.0000 -244.06707 -240.70807 3.35899 1.79800 -240.12866 312.01795
8075.0000 -243.98079 -240.58074 3.40006 1.79393 -240.21279 309.82110
8080.0000 -243.85813 -240.05053 3.80761 1.80065 -240.07396 312.69662
8085.0000 -243.75009 -240.44973 3.30037 1.78252 -240.44874 298.47836
8090.0000 -243.86877 -240.18930 3.67947 1.78481 -240.40130 298.78136
8095.0000 -244.07151 -240.42091 3.65060 1.79469 -240.19707 307.47295
8100.0000 -244.02828 -240.71661 3.31167 1.78388 -240.42059 298.36542
8105.0000 -243.60772 -239.56653 4.04119 1.79538 -240.18288 308.13558
8110.0000 -243.58340 -239.85708 3.72632 1.83173 -239.43133 334.39964
8115.0000 -243.29517 -238.86292 4.43225 1.82448 -239.58123 332.17786
8120.0000 -243.91423 -240.15987 3.75436 1.84971 -239.05967 353.63413
8125.0000 -244.13871 -240.77074 3.36797 1.77859 -240.52992 294.74598
8130.0000 -244.11215 -240.28388 3.82827 1.75886 -240.93792 280.11642
8135.0000 -244.02583 -240.40540 3.62043 1.78823 -240.33061 302.52897
8140.0000 -243.99816 -240.49477 3.50339 1.77278 -240.65004 292.24073
8145.0000 -243.65929 -240.13989 3.51941 1.79521 -240.18636 309.11042
8150.0000 -243.77902 -240.19632 3.58270 1.79920 -240.10379 310.76784
8155.0000 -243.97439 -240.07445 3.89994 1.79065 -240.28052 306.19351
8160.0000 -244.01972 -240.39273 3.62698 1.79300 -240.23203 308.55538
8165.0000 -244.28343 -240.37736 3.90607 1.77066 -240.69382 288.53501
8170.0000 -244.11726 -240.74052 3.37675 1.78424 -240.41315 299.41706
8175.0000 -244.17184 -240.82715 3.34469 1.76191 -240.87469 281.45829
8180.0000 -243.70797 -239.69188 4.01609 1.78361 -240.42625 300.14987
8185.0000 -243.25423 -239.38041 3.87383 1.81358 -239.80646 323.44492
8190.0000 -243.36760 -239.29920 4.06840 1.84250 -239.20869 343.82984
8195.0000 -244.18165 -240.82694 3.35472 1.80064 -240.07408 314.68316
8200.0000 -244.04314 -240.48495 3.55819 1.76622 -240.78560 287.43824
8205.0000 -243.70879 -240.62529 3.08350 1.78990 -240.29607 311.76718
8210.0000 -243.71049 -240.44261 3.26788 1.77917 -240.51801 296.12219
8215.0000 -244.82262 -240.81465 4.00797 1.78117 -240.47669 297.72069
8220.0000 -244.16796 -240.78850 3.37946 1.76974 -240.71291 289.22965
8225.0000 -244.13015 -240.93271 3.19744 1.76465 -240.81817 284.70206
8230.0000 -243.76541 -240.23198 3.53343 1.77343 -240.63655 292.55144
8235.0000 -243.62693 -240.11848 3.50845 1.79557 -240.17899 307.91888
8240.0000 -243.22381 -239.68138 3.54242 1.81698 -239.73631 324.18127
8245.0000 -243.82186 -239.90301 3.91884 1.81231 -239.83278 321.59799
8250.0000 -244.24172 -240.71170 3.53002 1.79876 -240.11303 310.76352
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 41.4907343 [s].
main_MD> Deallocating global variables
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