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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_63/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_63.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 = 63 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: 63 6300
main_MD> Size of nv and nvoiz: 63 6300
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 = 63
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> 1.7808797390912786E-002 -9.9612285902854258E-002 -0.10715595825988168 initial drift of cluster / NP1 for coalescence
init> 0.34847103207247770 0.34244767069293103 0.32879924928462773 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) -0.04442 -0.11783 -2.04880
force_rgl> df(natom) 2.86041 -3.92699 1.94695
preparo> THERMALIZATION PROCESS AT 1132.3815239515227
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -137.43154488365514 10.361359174555799 -147.79290405821092 6.5041514108261412E-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) 5.38689 6.65111 2.89811
force_rgl> df(natom) 3.17656 0.38675 3.42110
5.0000 -149.44622 -140.90426 8.54196 2.83482 -140.96663 1002.83213
10.0000 -147.70400 -139.96339 7.74061 2.82766 -141.07992 1041.89122
15.0000 -148.74140 -140.63649 8.10491 2.88979 -140.09628 1050.23825
20.0000 -149.71662 -140.29759 9.41903 2.81989 -141.20304 1042.95903
25.0000 -149.96962 -142.77851 7.19111 2.79039 -141.66997 1015.68672
30.0000 -148.91342 -141.14426 7.76915 2.73775 -142.50356 994.92224
35.0000 -147.82503 -139.08198 8.74305 2.91429 -139.70840 1074.43262
40.0000 -149.09493 -138.96528 10.12964 2.95251 -139.10323 1097.84200
45.0000 -149.34815 -140.62931 8.71885 2.87529 -140.32577 1049.31797
50.0000 -149.13938 -140.16440 8.97498 2.85195 -140.69532 1038.12392
55.0000 -148.84875 -140.11111 8.73764 2.92210 -139.58462 1107.33187
60.0000 -146.23311 -137.49189 8.74122 2.93545 -139.37340 1103.27477
65.0000 -147.65929 -137.61053 10.04876 3.01084 -138.17966 1148.87277
70.0000 -147.86968 -137.86901 10.00067 3.05743 -137.44209 1185.72083
75.0000 -148.85892 -139.71559 9.14334 2.98808 -138.54003 1183.03831
80.0000 -148.11584 -138.34160 9.77424 2.95188 -139.11322 1130.42765
85.0000 -148.81426 -139.81193 9.00232 2.95190 -139.11289 1142.95297
90.0000 -149.53790 -141.11502 8.42288 2.85390 -140.66452 1089.09585
95.0000 -149.86322 -141.49591 8.36731 2.80649 -141.41514 1049.88452
100.0000 -149.06303 -141.71105 7.35197 2.86143 -140.54522 1061.38963
105.0000 -149.39358 -140.34676 9.04682 2.85085 -140.71273 1032.67527
110.0000 -148.06498 -138.03621 10.02876 2.93377 -139.39999 1123.64394
115.0000 -149.19578 -139.57966 9.61612 2.95457 -139.07062 1123.06576
120.0000 -149.45764 -140.61784 8.83980 2.90428 -139.86678 1127.28679
125.0000 -148.64422 -138.87868 9.76554 2.87553 -140.32199 1065.16494
130.0000 -147.33499 -138.60141 8.73359 2.97085 -138.81288 1147.80327
135.0000 -148.59218 -139.79572 8.79646 2.93906 -139.31619 1081.94061
140.0000 -147.82830 -139.95369 7.87460 2.86870 -140.43011 1118.44775
145.0000 -147.60230 -138.38309 9.21921 3.01443 -138.12290 1176.69980
150.0000 -148.55716 -138.63643 9.92073 3.02096 -138.01943 1175.13874
155.0000 -147.51291 -137.59524 9.91766 2.95884 -139.00300 1135.09745
160.0000 -146.53588 -137.69077 8.84511 3.09477 -136.85076 1240.24852
165.0000 -147.59644 -138.95307 8.64337 2.98020 -138.66479 1146.15195
170.0000 -147.86938 -138.80433 9.06505 2.93952 -139.30884 1101.62089
175.0000 -148.50284 -139.54149 8.96135 2.96634 -138.88432 1135.56824
180.0000 -147.94671 -138.62002 9.32669 2.92456 -139.54570 1101.00202
185.0000 -149.94578 -140.72891 9.21687 2.91025 -139.77229 1076.53967
190.0000 -150.89411 -141.19371 9.70039 2.78519 -141.75231 1057.72401
195.0000 -149.04253 -140.15161 8.89092 2.86552 -140.48060 1091.54891
200.0000 -150.22319 -141.00537 9.21782 2.87247 -140.37042 1069.38423
205.0000 -147.72127 -138.17690 9.54437 2.91674 -139.66949 1120.90422
210.0000 -148.54666 -139.77238 8.77427 2.96418 -138.91847 1147.19226
215.0000 -148.07163 -138.94126 9.13037 2.94548 -139.21452 1100.03614
220.0000 -151.10187 -142.09831 9.00356 2.83329 -140.99077 1043.17981
225.0000 -148.37176 -140.76017 7.61159 2.90176 -139.90676 1124.82960
230.0000 -149.00162 -139.83427 9.16735 2.83352 -140.98715 1060.37919
235.0000 -149.32160 -139.04184 10.27976 2.91414 -139.71069 1115.66344
240.0000 -147.97685 -137.89809 10.07876 2.94845 -139.16756 1110.72263
245.0000 -148.04975 -139.29725 8.75250 2.99433 -138.44112 1108.45138
250.0000 -146.82032 -139.08751 7.73282 2.92301 -139.57025 1096.63197
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) -0.03822 -2.40005 0.99972
force_rgl> df(natom) 2.16275 3.58492 -1.77331
255.0000 -147.18366 -138.58467 8.59898 2.90527 -139.85108 1073.21764
260.0000 -149.32471 -139.38579 9.93892 2.98597 -138.57344 1161.38078
265.0000 -147.56870 -138.83064 8.73806 2.92880 -139.47860 1115.25714
270.0000 -150.25246 -141.82134 8.43112 2.87064 -140.39946 1058.66757
275.0000 -149.14520 -140.59555 8.54965 2.81090 -141.34539 1028.22099
280.0000 -150.67587 -141.22007 9.45580 2.86822 -140.43769 1089.90172
285.0000 -149.65175 -141.17137 8.48038 2.86782 -140.44407 1079.81058
290.0000 -148.39469 -139.95226 8.44243 2.78662 -141.72977 1009.78155
295.0000 -149.30312 -140.98534 8.31778 2.77949 -141.84262 1010.26460
300.0000 -148.38597 -138.65933 9.72664 2.87732 -140.29371 1076.26631
305.0000 -148.77190 -139.23843 9.53347 2.96308 -138.93585 1146.93271
310.0000 -148.13642 -137.90422 10.23220 3.04797 -137.59189 1207.35809
315.0000 -147.66964 -138.23267 9.43698 2.93439 -139.39019 1121.96296
320.0000 -148.10658 -139.58895 8.51763 2.90502 -139.85509 1112.70742
325.0000 -148.38805 -138.94912 9.43893 2.96438 -138.91535 1112.34614
330.0000 -149.33701 -140.12037 9.21665 2.95750 -139.02418 1088.77717
335.0000 -147.31770 -138.66595 8.65175 2.98863 -138.53132 1120.47233
340.0000 -146.73985 -137.14980 9.59005 3.05755 -137.44013 1178.81702
345.0000 -147.85200 -138.15322 9.69878 3.03259 -137.83527 1183.27122
350.0000 -149.44753 -139.63851 9.80902 2.93780 -139.33614 1097.67408
355.0000 -148.85939 -139.37893 9.48046 2.90910 -139.79059 1109.57194
360.0000 -148.52931 -138.78236 9.74695 2.92709 -139.50569 1097.00067
365.0000 -148.73870 -140.17115 8.56755 2.94004 -139.30071 1133.68085
370.0000 -148.10409 -139.50037 8.60372 2.95924 -138.99671 1112.76950
375.0000 -147.96812 -137.18596 10.78216 3.00409 -138.28649 1144.85510
380.0000 -146.74216 -136.93491 9.80725 3.06137 -137.37960 1186.97698
385.0000 -148.22172 -140.09244 8.12928 2.96799 -138.85811 1127.71177
390.0000 -148.86726 -140.15447 8.71279 2.95131 -139.12221 1138.68341
395.0000 -147.02402 -137.90777 9.11624 2.93131 -139.43885 1122.44789
400.0000 -149.42629 -139.70540 9.72089 2.95991 -138.98605 1132.47474
405.0000 -148.27733 -138.84010 9.43723 2.93369 -139.40126 1096.54119
410.0000 -148.85819 -138.32996 10.52823 2.98900 -138.52548 1171.58561
415.0000 -147.91046 -139.67726 8.23321 2.89735 -139.97652 1103.31453
420.0000 -149.44260 -140.96986 8.47274 2.82076 -141.18914 1020.04084
425.0000 -148.63204 -138.43521 10.19683 2.94472 -139.22650 1139.55815
430.0000 -150.55593 -140.57007 9.98586 2.90247 -139.89557 1119.32654
435.0000 -147.27339 -138.62279 8.65059 2.89918 -139.94762 1136.03519
440.0000 -147.63972 -140.13105 7.50868 2.94488 -139.22400 1123.19002
445.0000 -149.64301 -141.60604 8.03697 2.87409 -140.34489 1071.78216
450.0000 -149.10742 -140.77202 8.33540 2.73917 -142.48101 1005.90772
455.0000 -149.30747 -139.65221 9.65526 2.89378 -140.03302 1109.69801
460.0000 -149.16874 -140.69529 8.47346 2.80385 -141.45686 1024.18179
465.0000 -148.09690 -140.18383 7.91307 2.86299 -140.52054 1067.35843
470.0000 -148.71591 -140.80764 7.90827 2.80206 -141.48522 1012.74156
475.0000 -149.47444 -140.76710 8.70734 2.87374 -140.35040 1052.05193
480.0000 -149.86969 -139.66048 10.20921 2.81538 -141.27436 1008.59836
485.0000 -147.69908 -137.03276 10.66633 2.95480 -139.06699 1102.62936
490.0000 -146.72152 -134.32015 12.40136 3.11833 -136.47786 1254.47705
495.0000 -149.26488 -140.39382 8.87105 3.03360 -137.81937 1194.38376
500.0000 -148.90311 -141.11372 7.78939 2.83369 -140.98442 1040.88814
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) -6.85883 -3.16321 -0.70659
force_rgl> df(natom) 2.45569 -0.67510 -6.10036
505.0000 -149.49697 -140.63412 8.86285 2.76471 -142.07662 1024.42181
510.0000 -148.76642 -139.14813 9.61830 2.90750 -139.81586 1132.45431
515.0000 -149.22514 -139.61432 9.61081 2.99054 -138.50104 1162.42859
520.0000 -150.41126 -142.43871 7.97255 2.87981 -140.25427 1091.91919
525.0000 -148.96210 -140.18811 8.77398 2.78484 -141.75791 1042.06579
530.0000 -147.83022 -140.55922 7.27100 2.83520 -140.96058 1062.90081
535.0000 -148.87166 -141.16636 7.70530 2.86147 -140.54466 1054.63077
540.0000 -148.95788 -141.27180 7.68607 2.84246 -140.84567 1034.41656
545.0000 -147.96805 -140.17341 7.79464 2.91831 -139.64467 1096.02839
550.0000 -148.51259 -139.51833 8.99426 2.91656 -139.67236 1072.70015
555.0000 -148.03764 -138.64929 9.38835 2.90914 -139.78995 1085.57223
560.0000 -148.13346 -139.36022 8.77324 2.96854 -138.84945 1122.44050
565.0000 -148.68888 -141.30101 7.38788 2.91176 -139.74838 1100.59267
570.0000 -149.33335 -140.95107 8.38228 2.85622 -140.62769 1063.36643
575.0000 -148.70669 -138.86133 9.84536 2.89926 -139.94629 1127.24396
580.0000 -149.43474 -140.71409 8.72065 2.91153 -139.75208 1078.06639
585.0000 -150.92615 -141.56954 9.35662 2.81366 -141.30169 1027.77377
590.0000 -150.87080 -141.62518 9.24562 2.86923 -140.42177 1078.59482
595.0000 -148.01696 -139.05723 8.95972 2.90211 -139.90127 1109.89855
600.0000 -149.31903 -140.33740 8.98163 2.85262 -140.68472 1094.67778
605.0000 -149.78230 -140.70633 9.07597 2.85808 -140.59832 1056.73832
610.0000 -149.19837 -141.84857 7.34981 2.75152 -142.28541 988.79060
615.0000 -151.01532 -142.68065 8.33467 2.73529 -142.54236 980.66841
620.0000 -150.84864 -142.11733 8.73130 2.71336 -142.88964 963.24395
625.0000 -149.36845 -142.31647 7.05197 2.72265 -142.74257 954.52078
630.0000 -148.39852 -138.53844 9.86008 2.86126 -140.54804 1082.18638
635.0000 -148.92693 -140.41455 8.51238 2.96368 -138.92638 1150.29514
640.0000 -148.86180 -140.57487 8.28693 2.91513 -139.69498 1101.44863
645.0000 -147.74355 -139.29643 8.44711 2.89901 -139.95023 1074.40120
650.0000 -148.98916 -140.96645 8.02271 2.87117 -140.39114 1087.22913
655.0000 -148.57044 -139.47385 9.09659 2.82783 -141.07728 1025.73782
660.0000 -149.23740 -141.21947 8.01793 2.91038 -139.77023 1088.06518
665.0000 -149.57708 -141.03180 8.54528 2.86308 -140.51916 1052.87960
670.0000 -148.92681 -140.02628 8.90053 2.78579 -141.74284 1035.04410
675.0000 -149.28211 -141.45802 7.82408 2.90114 -139.91650 1080.80774
680.0000 -147.95136 -139.52572 8.42564 2.80042 -141.51121 1014.61299
685.0000 -148.57687 -139.45655 9.12032 2.99277 -138.46578 1171.07423
690.0000 -148.78470 -140.64869 8.13601 2.95319 -139.09239 1141.78854
695.0000 -148.21802 -140.08146 8.13656 2.87896 -140.26772 1065.93026
700.0000 -149.17696 -141.32126 7.85570 2.92188 -139.58824 1125.22166
705.0000 -148.50077 -139.19868 9.30209 2.85466 -140.65249 1065.69548
710.0000 -148.77726 -139.08880 9.68846 2.95907 -138.99939 1120.66718
715.0000 -149.70143 -141.30772 8.39371 2.89100 -140.07717 1089.93326
720.0000 -149.73555 -141.72395 8.01159 2.76260 -142.11009 1001.93626
725.0000 -149.83703 -142.25662 7.58041 2.73994 -142.46875 964.47773
730.0000 -151.02661 -142.02818 8.99844 2.77911 -141.84871 1002.57738
735.0000 -151.51743 -143.93537 7.58206 2.62021 -144.36451 916.04878
740.0000 -148.77395 -140.99539 7.77856 2.73068 -142.61535 965.61800
745.0000 -149.44340 -140.91621 8.52718 2.82561 -141.11248 1046.90775
750.0000 -149.25178 -142.14742 7.10436 2.79800 -141.54953 1017.69239
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) -3.09987 1.59165 -0.29771
force_rgl> df(natom) 1.03455 -0.84134 -3.10383
755.0000 -149.47891 -142.07116 7.40775 2.79474 -141.60121 1030.64530
760.0000 -149.39653 -140.39013 9.00640 2.82630 -141.10152 1049.33283
765.0000 -149.41372 -140.56406 8.84966 2.85630 -140.62642 1062.44358
770.0000 -149.48783 -140.40490 9.08293 2.95840 -139.00999 1121.52372
775.0000 -148.89763 -139.56708 9.33055 2.95515 -139.06136 1158.26924
780.0000 -150.82412 -142.24933 8.57480 2.83416 -140.97706 1047.08080
785.0000 -149.02222 -140.69799 8.32423 2.78400 -141.77121 982.68222
790.0000 -150.63847 -142.04017 8.59831 2.80961 -141.36567 1012.27511
795.0000 -151.27838 -143.21993 8.05845 2.76836 -142.01877 1023.00537
800.0000 -149.93470 -140.88520 9.04950 2.70930 -142.95391 963.40034
805.0000 -150.51405 -141.86739 8.64666 2.85331 -140.67377 1042.19732
810.0000 -150.21624 -140.16113 10.05511 2.83018 -141.03998 998.13802
815.0000 -150.18013 -141.27362 8.90651 2.78124 -141.81496 1000.54198
820.0000 -148.98637 -139.65615 9.33022 2.83753 -140.92363 1001.03627
825.0000 -148.84522 -140.53328 8.31194 2.92652 -139.51469 1096.33581
830.0000 -149.18970 -140.68517 8.50453 2.91606 -139.68028 1072.77135
835.0000 -150.04720 -141.70279 8.34441 2.82760 -141.08088 1062.25407
840.0000 -149.25493 -138.78711 10.46781 2.81466 -141.28572 1041.03921
845.0000 -148.50398 -140.51996 7.98401 2.89023 -140.08921 1036.22286
850.0000 -149.80635 -142.30750 7.49885 2.85451 -140.65480 1060.84755
855.0000 -148.64681 -140.49907 8.14774 2.78821 -141.70449 1029.25840
860.0000 -149.13623 -139.72739 9.40884 2.89250 -140.05342 1080.50567
865.0000 -150.21558 -140.93828 9.27731 2.88526 -140.16794 1088.21244
870.0000 -148.42383 -140.67072 7.75311 2.87361 -140.35246 1042.02206
875.0000 -148.96738 -142.07300 6.89438 2.86478 -140.49224 1066.53391
880.0000 -151.12432 -142.32571 8.79861 2.72759 -142.66430 967.68343
885.0000 -148.41023 -140.46142 7.94880 2.76098 -142.13574 989.31262
890.0000 -151.53464 -142.13383 9.40081 2.81261 -141.31831 1009.22414
895.0000 -149.27107 -141.23399 8.03707 2.80527 -141.43451 1026.17636
900.0000 -151.37599 -144.62925 6.74674 2.73556 -142.53810 948.76705
905.0000 -150.41886 -142.66244 7.75642 2.68385 -143.35696 939.15139
910.0000 -150.58547 -142.26013 8.32534 2.75789 -142.18465 988.71589
915.0000 -150.72326 -141.95057 8.77269 2.75838 -142.17682 1005.17924
920.0000 -150.16083 -141.71055 8.45028 2.77542 -141.90713 1008.66460
925.0000 -148.78744 -140.78579 8.00165 2.85091 -140.71188 1023.11910
930.0000 -150.04305 -140.52752 9.51553 2.87511 -140.32864 1097.09113
935.0000 -149.63817 -140.08403 9.55415 2.87436 -140.34057 1085.62846
940.0000 -149.32784 -140.71429 8.61355 2.83445 -140.97242 1038.95558
945.0000 -148.74910 -140.33199 8.41711 2.81379 -141.29962 1032.95615
950.0000 -148.82882 -140.71412 8.11470 2.86410 -140.50302 1064.06321
955.0000 -150.43788 -142.00871 8.42916 2.79365 -141.61837 1013.37856
960.0000 -149.70944 -142.55415 7.15528 2.76764 -142.03022 984.28816
965.0000 -149.24656 -141.42101 7.82555 2.81282 -141.31494 1023.32135
970.0000 -149.95059 -142.01282 7.93777 2.77422 -141.92599 979.68457
975.0000 -150.18154 -142.94775 7.23379 2.73122 -142.60687 1006.79389
980.0000 -150.92866 -142.19997 8.72870 2.70891 -142.96013 1000.34011
985.0000 -150.08338 -141.72816 8.35522 2.77292 -141.94662 994.82438
990.0000 -151.07094 -142.33190 8.73904 2.79806 -141.54861 1029.25434
995.0000 -150.34894 -142.42724 7.92171 2.70116 -143.08284 1004.69966
1000.0000 -151.00203 -142.70393 8.29810 2.73340 -142.57236 951.78100
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) 0.56423 1.32109 -1.87844
force_rgl> df(natom) -0.16803 -0.13386 4.02839
1005.0000 -150.91372 -142.76629 8.14743 2.77136 -141.97129 992.78607
1010.0000 -150.87125 -140.96995 9.90130 2.77653 -141.88948 979.44346
1015.0000 -148.70442 -140.69299 8.01143 2.86840 -140.43491 1065.69241
1020.0000 -148.59679 -140.81202 7.78478 2.87673 -140.30311 1073.83833
1025.0000 -149.03412 -141.08737 7.94674 2.80334 -141.46506 1004.31741
1030.0000 -148.93131 -140.84524 8.08607 2.83583 -140.95064 999.03430
1035.0000 -150.44271 -141.49412 8.94859 2.79596 -141.58183 998.72800
1040.0000 -148.69718 -140.30379 8.39339 2.88298 -140.20413 1091.78550
1045.0000 -151.29612 -142.34600 8.95013 2.77928 -141.84595 985.60788
1050.0000 -149.67561 -141.18686 8.48875 2.82438 -141.13183 1039.76636
1055.0000 -149.11114 -140.85300 8.25814 2.82282 -141.15654 1065.31687
1060.0000 -149.09223 -139.60892 9.48331 2.87792 -140.28424 1078.43995
1065.0000 -149.64750 -142.37127 7.27623 2.87763 -140.28882 1084.91392
1070.0000 -150.40027 -141.81257 8.58770 2.78695 -141.72458 1010.37479
1075.0000 -150.16656 -141.81867 8.34789 2.79605 -141.58050 1020.08943
1080.0000 -151.39207 -144.78104 6.61103 2.67571 -143.48577 938.67095
1085.0000 -149.49556 -141.41568 8.07988 2.69114 -143.24142 936.42445
1090.0000 -149.88425 -141.75756 8.12669 2.79883 -141.53640 1009.18119
1095.0000 -148.80489 -141.51704 7.28786 2.80579 -141.42619 1016.45398
1100.0000 -149.03063 -140.62964 8.40099 2.82293 -141.15491 1043.98258
1105.0000 -150.49599 -142.98578 7.51020 2.77069 -141.98191 985.02123
1110.0000 -149.18726 -140.89261 8.29465 2.76685 -142.04272 998.30357
1115.0000 -150.04846 -141.85078 8.19767 2.76408 -142.08667 980.37914
1120.0000 -149.57838 -142.12665 7.45172 2.78271 -141.79160 997.30174
1125.0000 -151.39025 -144.09041 7.29983 2.76389 -142.08969 995.43692
1130.0000 -150.13004 -141.75492 8.37512 2.68512 -143.33671 937.65111
1135.0000 -151.78371 -142.51385 9.26986 2.75147 -142.28632 1005.42266
1140.0000 -148.91604 -141.59331 7.32273 2.74334 -142.41490 988.14158
1145.0000 -151.18349 -145.14149 6.04200 2.69667 -143.15392 942.79944
1150.0000 -152.96853 -144.39918 8.56935 2.63980 -144.05431 911.92151
1155.0000 -152.20751 -145.55659 6.65092 2.55855 -145.34076 841.80603
1160.0000 -152.37767 -145.02238 7.35528 2.53895 -145.65102 861.97231
1165.0000 -152.39311 -143.55325 8.83987 2.57005 -145.15861 849.24045
1170.0000 -150.13875 -143.44958 6.68916 2.67792 -143.45075 942.14091
1175.0000 -151.33330 -144.47659 6.85671 2.62709 -144.25560 910.10401
1180.0000 -150.40229 -141.73080 8.67150 2.63501 -144.13021 912.18591
1185.0000 -149.75148 -143.45292 6.29857 2.71365 -142.88506 970.42029
1190.0000 -149.43247 -141.14916 8.28331 2.72963 -142.63210 982.95924
1195.0000 -150.75001 -143.61503 7.13497 2.75118 -142.29083 974.04058
1200.0000 -150.49181 -143.64134 6.85047 2.66110 -143.71709 929.88094
1205.0000 -150.55489 -144.04640 6.50849 2.66238 -143.69674 904.26383
1210.0000 -149.38415 -140.90878 8.47537 2.78304 -141.78646 1018.85995
1215.0000 -150.07419 -140.52276 9.55143 2.86059 -140.55865 1046.87946
1220.0000 -148.51793 -139.93792 8.58000 2.84885 -140.74448 1071.14380
1225.0000 -148.92571 -141.64994 7.27577 2.87759 -140.28949 1041.55313
1230.0000 -148.34567 -140.89829 7.44738 2.80541 -141.43227 1024.46676
1235.0000 -150.57296 -142.09889 8.47407 2.80917 -141.37273 1031.92682
1240.0000 -151.93161 -143.63167 8.29994 2.73492 -142.54825 958.90168
1245.0000 -150.36458 -144.14040 6.22418 2.66837 -143.60195 950.63747
1250.0000 -150.28416 -143.31588 6.96828 2.72588 -142.69143 967.84050
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) -3.70924 0.87201 -1.09155
force_rgl> df(natom) 2.97218 3.49222 2.35831
1255.0000 -150.33771 -144.89848 5.43923 2.57923 -145.01338 823.35604
1260.0000 -151.48077 -144.04575 7.43502 2.62760 -144.24749 900.97225
1265.0000 -150.85150 -142.81965 8.03185 2.70193 -143.07070 955.15064
1270.0000 -150.24607 -142.40194 7.84413 2.79616 -141.57874 1053.70092
1275.0000 -149.94320 -141.97316 7.97005 2.75714 -142.19653 1013.14978
1280.0000 -150.20889 -142.19382 8.01507 2.71361 -142.88564 960.32080
1285.0000 -150.13325 -141.92500 8.20825 2.73626 -142.52712 987.25718
1290.0000 -149.82711 -141.72533 8.10177 2.81296 -141.31262 1042.41797
1295.0000 -147.94895 -140.35338 7.59557 2.86166 -140.54158 1070.27088
1300.0000 -150.06306 -143.21123 6.85183 2.78648 -141.73193 995.04460
1305.0000 -150.18435 -142.85412 7.33023 2.71971 -142.78917 964.07916
1310.0000 -150.90597 -142.90798 7.99799 2.69525 -143.17640 921.69824
1315.0000 -150.60381 -141.37664 9.22718 2.74038 -142.46180 976.04722
1320.0000 -151.32488 -143.07683 8.24806 2.74443 -142.39780 997.26823
1325.0000 -150.79872 -144.40716 6.39155 2.64279 -144.00692 917.34223
1330.0000 -151.90231 -143.88743 8.01489 2.58082 -144.98820 898.49151
1335.0000 -151.44076 -143.15515 8.28561 2.66728 -143.61916 931.50104
1340.0000 -148.24283 -141.58860 6.65423 2.74633 -142.36769 957.28401
1345.0000 -148.50966 -139.36345 9.14621 2.83377 -140.98317 1014.95162
1350.0000 -149.50401 -141.42135 8.08266 2.88057 -140.24220 1079.72511
1355.0000 -151.81288 -142.91441 8.89847 2.77673 -141.88629 1006.18267
1360.0000 -150.91003 -141.53964 9.37039 2.77754 -141.87354 1031.37819
1365.0000 -153.22655 -143.87940 9.34715 2.67430 -143.50808 964.03405
1370.0000 -151.23661 -141.54735 9.68926 2.72923 -142.63831 978.13135
1375.0000 -150.67714 -143.32836 7.34878 2.73275 -142.58268 969.84762
1380.0000 -150.89721 -143.31374 7.58347 2.65651 -143.78974 938.65291
1385.0000 -152.01161 -145.03051 6.98110 2.64332 -143.99854 899.46994
1390.0000 -151.73242 -144.37788 7.35454 2.58944 -144.85173 879.46804
1395.0000 -149.21421 -141.34208 7.87213 2.66853 -143.59952 951.19677
1400.0000 -148.73799 -139.25613 9.48186 2.87454 -140.33776 1086.14457
1405.0000 -148.48685 -140.16452 8.32233 2.90706 -139.82282 1091.11188
1410.0000 -150.13977 -141.72066 8.41911 2.82363 -141.14383 1014.78021
1415.0000 -149.87210 -141.84577 8.02633 2.81409 -141.29475 1017.07541
1420.0000 -149.83100 -142.65512 7.17588 2.76344 -142.09681 970.23533
1425.0000 -151.09358 -144.73383 6.35975 2.70384 -143.04040 946.76523
1430.0000 -151.14478 -144.37022 6.77456 2.61835 -144.39391 881.79197
1435.0000 -151.72038 -144.25266 7.46772 2.64833 -143.91929 918.94721
1440.0000 -149.15556 -141.57653 7.57903 2.74866 -142.33072 990.71814
1445.0000 -151.38168 -144.22265 7.15903 2.69188 -143.22973 946.72017
1450.0000 -150.52590 -143.61005 6.91585 2.61595 -144.43196 909.70716
1455.0000 -151.26958 -143.61919 7.65039 2.65301 -143.84521 904.45689
1460.0000 -151.39558 -143.67911 7.71647 2.70196 -143.07019 929.35091
1465.0000 -151.59669 -144.39056 7.20614 2.67365 -143.51845 925.17789
1470.0000 -151.20594 -142.22488 8.98106 2.68511 -143.33689 931.86396
1475.0000 -151.07231 -143.03600 8.03632 2.74353 -142.41203 959.52503
1480.0000 -151.69087 -142.59803 9.09284 2.72882 -142.64481 957.46305
1485.0000 -151.95214 -143.94800 8.00414 2.70263 -143.05949 952.93507
1490.0000 -151.30702 -144.59374 6.71329 2.66471 -143.65993 928.49323
1495.0000 -152.02123 -143.70414 8.31709 2.69995 -143.10202 963.79299
1500.0000 -151.18507 -144.46449 6.72059 2.66325 -143.68300 926.81385
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) 2.03910 -0.71694 1.58346
force_rgl> df(natom) 2.79040 2.84479 -5.04762
1505.0000 -151.25744 -143.74766 7.50977 2.64957 -143.89964 917.03064
1510.0000 -151.21054 -144.11660 7.09394 2.66177 -143.70645 926.88603
1515.0000 -150.54551 -143.23411 7.31141 2.68284 -143.37283 936.35167
1520.0000 -150.57924 -141.94320 8.63603 2.73533 -142.54181 946.27843
1525.0000 -151.92629 -142.84863 9.07766 2.71589 -142.84966 929.58384
1530.0000 -150.47255 -143.35480 7.11774 2.73917 -142.48104 983.80425
1535.0000 -151.56992 -143.41472 8.15519 2.63133 -144.18846 910.19862
1540.0000 -148.57190 -139.98225 8.58965 2.77349 -141.93762 972.67491
1545.0000 -147.97399 -140.31588 7.65812 2.90454 -139.86274 1057.07796
1550.0000 -148.59053 -140.26568 8.32485 2.87471 -140.33505 1066.26596
1555.0000 -151.95785 -143.84973 8.10813 2.72222 -142.74941 950.21825
1560.0000 -149.63557 -141.55314 8.08242 2.79524 -141.59327 1050.54760
1565.0000 -150.19638 -140.54151 9.65487 2.80537 -141.43285 1042.44204
1570.0000 -149.74773 -141.88291 7.86482 2.75602 -142.21421 983.56426
1575.0000 -149.10478 -141.50073 7.60406 2.72447 -142.71373 970.40855
1580.0000 -150.56179 -142.45488 8.10692 2.78732 -141.71870 1009.09672
1585.0000 -150.09266 -142.25166 7.84100 2.77157 -141.96809 998.40323
1590.0000 -151.74988 -144.65137 7.09851 2.65330 -143.84058 922.94945
1595.0000 -149.97997 -142.53020 7.44976 2.66215 -143.70043 940.15005
1600.0000 -150.06032 -141.67253 8.38779 2.72458 -142.71200 957.77387
1605.0000 -151.00211 -143.46870 7.53341 2.76585 -142.05856 1006.71982
1610.0000 -150.19115 -140.96942 9.22173 2.70247 -143.06210 958.53164
1615.0000 -150.15925 -142.18396 7.97529 2.82480 -141.12530 1000.73478
1620.0000 -149.96758 -143.28934 6.67823 2.78738 -141.71775 1015.36463
1625.0000 -149.34220 -141.72402 7.61818 2.75747 -142.19133 956.52133
1630.0000 -150.37429 -142.72487 7.64942 2.76763 -142.03039 1023.30134
1635.0000 -148.97919 -141.48911 7.49008 2.72714 -142.67151 975.38979
1640.0000 -149.26334 -141.68696 7.57638 2.75561 -142.22079 1005.89253
1645.0000 -151.06415 -143.09333 7.97082 2.78159 -141.80942 1010.32074
1650.0000 -150.51978 -142.73226 7.78752 2.75630 -142.20982 982.76917
1655.0000 -152.17045 -143.82705 8.34340 2.67734 -143.45991 908.10434
1660.0000 -152.85516 -146.32830 6.52686 2.55732 -145.36024 832.95044
1665.0000 -151.07683 -144.51298 6.56386 2.54748 -145.51606 842.83892
1670.0000 -151.48366 -142.83896 8.64470 2.66940 -143.58563 949.30030
1675.0000 -151.63789 -142.78641 8.85148 2.71600 -142.84786 980.15722
1680.0000 -151.44834 -141.76511 9.68324 2.78891 -141.69347 1016.80045
1685.0000 -150.80264 -142.95425 7.84839 2.73284 -142.58123 1014.80081
1690.0000 -149.72326 -142.36054 7.36272 2.69589 -143.16619 933.05211
1695.0000 -150.82691 -142.58243 8.24447 2.80680 -141.41019 1042.86145
1700.0000 -148.60985 -141.61072 6.99913 2.80560 -141.42929 1003.56925
1705.0000 -152.32475 -144.84051 7.48424 2.70251 -143.06146 939.87599
1710.0000 -150.99820 -144.57983 6.41837 2.64132 -144.03031 885.67784
1715.0000 -151.10541 -144.42096 6.68445 2.67908 -143.43237 925.74453
1720.0000 -151.10280 -142.35155 8.75124 2.67557 -143.48805 939.87709
1725.0000 -151.58594 -143.35181 8.23414 2.84825 -140.75401 1062.86192
1730.0000 -151.20330 -144.01963 7.18366 2.66557 -143.64629 932.17078
1735.0000 -150.27894 -142.37385 7.90509 2.72265 -142.74257 985.42376
1740.0000 -151.81520 -142.84320 8.97200 2.70019 -143.09824 938.29514
1745.0000 -151.07863 -142.78247 8.29616 2.74488 -142.39068 993.51657
1750.0000 -151.43768 -143.54785 7.88983 2.71589 -142.84952 973.97641
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) -1.52581 -2.42711 -0.64583
force_rgl> df(natom) -3.42547 -0.56953 2.21941
1755.0000 -151.88231 -144.39979 7.48252 2.66510 -143.65379 909.30910
1760.0000 -150.48043 -142.50984 7.97059 2.70638 -143.00012 963.49402
1765.0000 -150.50757 -141.82381 8.68375 2.76753 -142.03201 1008.13068
1770.0000 -150.71884 -142.71785 8.00099 2.78047 -141.82707 1000.52518
1775.0000 -150.20034 -142.91549 7.28485 2.74379 -142.40790 956.83719
1780.0000 -151.54120 -142.72343 8.81777 2.70226 -143.06534 936.72486
1785.0000 -151.94035 -143.05238 8.88798 2.67962 -143.42386 958.83018
1790.0000 -150.96050 -142.92946 8.03105 2.67104 -143.55976 947.10941
1795.0000 -151.14765 -142.44264 8.70501 2.69406 -143.19521 963.36534
1800.0000 -151.40173 -143.24191 8.15981 2.63307 -144.16090 892.36257
1805.0000 -151.28899 -142.49332 8.79567 2.67192 -143.54571 977.42504
1810.0000 -150.56392 -142.72180 7.84212 2.71020 -142.93963 943.50913
1815.0000 -151.50399 -145.14175 6.36225 2.64260 -144.00994 938.34354
1820.0000 -151.22655 -143.41754 7.80901 2.59090 -144.82855 876.31365
1825.0000 -151.22729 -142.92991 8.29738 2.73663 -142.52129 985.64212
1830.0000 -151.83382 -144.99496 6.83886 2.62253 -144.32782 881.40629
1835.0000 -152.73801 -145.24458 7.49343 2.56067 -145.30712 869.07945
1840.0000 -151.34885 -144.72390 6.62494 2.56975 -145.16337 862.48244
1845.0000 -149.90491 -142.69774 7.20717 2.66652 -143.63128 929.45986
1850.0000 -152.03078 -144.92992 7.10086 2.67750 -143.45742 921.85929
1855.0000 -151.96742 -143.81737 8.15004 2.62208 -144.33489 902.92395
1860.0000 -151.02838 -142.97220 8.05618 2.67256 -143.53562 924.81035
1865.0000 -152.93793 -145.30157 7.63635 2.63926 -144.06280 917.81137
1870.0000 -149.67728 -143.94874 5.72854 2.63718 -144.09578 918.25437
1875.0000 -150.60877 -142.23055 8.37822 2.70541 -143.01548 967.16186
1880.0000 -151.11920 -144.19442 6.92478 2.72049 -142.77682 969.45216
1885.0000 -150.18813 -142.90042 7.28771 2.71579 -142.85121 964.96814
1890.0000 -151.24462 -143.42179 7.82283 2.74806 -142.34018 994.93402
1895.0000 -151.01306 -142.68949 8.32357 2.69544 -143.17344 940.12624
1900.0000 -150.70289 -142.23813 8.46475 2.75735 -142.19309 1011.60877
1905.0000 -152.21592 -142.61305 9.60287 2.73793 -142.50068 968.39475
1910.0000 -149.41756 -141.56989 7.84766 2.82569 -141.11112 1038.93566
1915.0000 -151.81627 -143.92773 7.88854 2.71538 -142.85773 946.82715
1920.0000 -152.51242 -146.11154 6.40087 2.59962 -144.69048 894.38630
1925.0000 -150.09393 -143.89968 6.19425 2.59119 -144.82388 882.07906
1930.0000 -150.49435 -142.81966 7.67470 2.70274 -143.05774 953.12366
1935.0000 -152.35687 -144.69596 7.66090 2.65145 -143.86992 908.87061
1940.0000 -150.99401 -142.51627 8.47774 2.64020 -144.04792 903.50565
1945.0000 -150.88935 -143.17571 7.71364 2.74027 -142.46364 942.16264
1950.0000 -150.34890 -142.35912 7.98978 2.68230 -143.38144 941.87649
1955.0000 -150.82174 -142.61668 8.20507 2.76664 -142.04611 1000.32649
1960.0000 -151.35988 -142.78782 8.57206 2.72126 -142.76450 959.28822
1965.0000 -152.14714 -144.88152 7.26562 2.66682 -143.62646 931.01573
1970.0000 -151.05912 -144.80501 6.25411 2.61803 -144.39906 888.34995
1975.0000 -151.27406 -143.73511 7.53895 2.62713 -144.25499 891.18380
1980.0000 -152.41516 -145.50449 6.91067 2.63287 -144.16399 905.86531
1985.0000 -151.13697 -143.27592 7.86106 2.66036 -143.72887 936.35840
1990.0000 -150.67436 -143.03707 7.63728 2.67662 -143.47134 933.09391
1995.0000 -151.27078 -141.60391 9.66687 2.75490 -142.23203 993.71639
2000.0000 -150.41385 -142.35321 8.06065 2.78176 -141.80671 1024.92458
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) -0.37235 1.21268 1.55871
force_rgl> df(natom) 1.28023 1.43024 1.37400
2005.0000 -151.74805 -145.04767 6.70038 2.62388 -144.30634 861.84683
2010.0000 -152.43456 -144.31676 8.11780 2.55161 -145.45066 869.65783
2015.0000 -151.14583 -144.55774 6.58808 2.63683 -144.10139 901.16955
2020.0000 -152.99877 -144.33151 8.66726 2.63112 -144.19180 902.59280
2025.0000 -151.55017 -145.07161 6.47857 2.56372 -145.25894 873.34370
2030.0000 -150.72733 -144.05440 6.67293 2.58722 -144.88687 893.48224
2035.0000 -152.16905 -143.98430 8.18475 2.65300 -143.84525 918.52138
2040.0000 -152.73691 -145.89640 6.84051 2.62449 -144.29672 877.64447
2045.0000 -151.33341 -143.43477 7.89865 2.64297 -144.00411 897.13378
2050.0000 -151.78145 -144.52616 7.25529 2.67414 -143.51056 924.45961
2055.0000 -151.58363 -145.09858 6.48505 2.66217 -143.70021 960.50471
2060.0000 -152.71721 -145.05399 7.66321 2.55338 -145.42261 880.74101
2065.0000 -151.83816 -145.82797 6.01020 2.55947 -145.32612 850.73472
2070.0000 -154.89474 -147.20174 7.69300 2.45847 -146.92536 781.21944
2075.0000 -151.99558 -145.55179 6.44379 2.52104 -145.93468 837.89945
2080.0000 -153.33085 -145.97810 7.35275 2.56789 -145.19286 866.61014
2085.0000 -152.59624 -144.92751 7.66873 2.59505 -144.76291 909.41302
2090.0000 -151.62458 -143.52435 8.10023 2.59406 -144.77847 892.23305
2095.0000 -150.53035 -142.40372 8.12663 2.70384 -143.04045 957.24103
2100.0000 -151.60121 -144.62209 6.97912 2.71124 -142.92323 926.61046
2105.0000 -151.61178 -145.01539 6.59639 2.57255 -145.11908 883.08771
2110.0000 -152.46020 -144.18706 8.27314 2.63931 -144.06203 937.95260
2115.0000 -151.47919 -144.02134 7.45785 2.61029 -144.52156 880.72116
2120.0000 -149.86125 -142.03434 7.82691 2.70157 -143.07634 974.22201
2125.0000 -149.19799 -142.11498 7.08301 2.79087 -141.66246 1034.26928
2130.0000 -150.31355 -142.93261 7.38095 2.71978 -142.78800 940.63837
2135.0000 -150.96879 -143.54036 7.42842 2.71457 -142.87057 960.24309
2140.0000 -150.69821 -142.49995 8.19826 2.70175 -143.07345 960.14957
2145.0000 -151.75687 -145.11900 6.63787 2.68608 -143.32153 907.06056
2150.0000 -152.10578 -144.57731 7.52848 2.56236 -145.28034 839.31822
2155.0000 -151.23088 -144.84685 6.38402 2.60255 -144.64416 891.42291
2160.0000 -152.64738 -144.72779 7.91959 2.56285 -145.27271 859.54135
2165.0000 -151.48227 -144.01346 7.46880 2.66669 -143.62850 943.65826
2170.0000 -149.72802 -143.73332 5.99471 2.61460 -144.45337 904.26075
2175.0000 -151.38194 -143.18879 8.19315 2.70680 -142.99359 989.14485
2180.0000 -151.62371 -145.01356 6.61016 2.63037 -144.20363 902.16645
2185.0000 -150.51480 -142.61963 7.89517 2.62450 -144.29658 905.31325
2190.0000 -150.19641 -143.17002 7.02639 2.69821 -143.12944 957.18539
2195.0000 -150.73788 -142.83287 7.90500 2.72479 -142.70869 959.21598
2200.0000 -152.75686 -145.45430 7.30256 2.68353 -143.36191 947.71891
2205.0000 -152.82537 -145.69658 7.12880 2.53445 -145.72227 847.29813
2210.0000 -152.78971 -145.58133 7.20838 2.55752 -145.35701 864.57243
2215.0000 -152.18033 -144.89434 7.28599 2.55936 -145.32786 867.04304
2220.0000 -152.96022 -144.70049 8.25974 2.59509 -144.76218 874.00285
2225.0000 -151.72946 -144.70324 7.02622 2.57936 -145.01124 869.69095
2230.0000 -151.71500 -145.62016 6.09483 2.59139 -144.82072 864.61720
2235.0000 -151.19599 -144.44867 6.74732 2.63418 -144.14324 906.50921
2240.0000 -152.60390 -145.49738 7.10653 2.55708 -145.36407 830.83676
2245.0000 -150.61170 -141.50347 9.10823 2.62606 -144.27192 885.27925
2250.0000 -153.06846 -145.26473 7.80373 2.68343 -143.36358 954.73674
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) -0.58666 0.32494 -0.38134
force_rgl> df(natom) -0.92295 2.08636 -4.27463
2255.0000 -153.34870 -145.51489 7.83380 2.57881 -145.01993 890.28331
2260.0000 -150.90084 -143.15228 7.74856 2.59360 -144.78575 896.05525
2265.0000 -151.80623 -143.36278 8.44344 2.66731 -143.61873 930.78054
2270.0000 -151.74221 -144.80528 6.93694 2.57286 -145.11423 861.10471
2275.0000 -150.86150 -143.57289 7.28861 2.63108 -144.19236 906.62763
2280.0000 -150.58092 -142.48435 8.09657 2.70122 -143.08188 928.09086
2285.0000 -151.98804 -144.30559 7.68245 2.66062 -143.72463 933.93335
2290.0000 -150.87157 -143.68599 7.18558 2.64592 -143.95745 923.89992
2295.0000 -150.64420 -143.20080 7.44340 2.70372 -143.04221 940.87425
2300.0000 -152.73510 -144.94364 7.79145 2.58561 -144.91237 864.38021
2305.0000 -152.66560 -144.14906 8.51654 2.65690 -143.78360 925.50985
2310.0000 -150.81223 -142.75544 8.05679 2.68352 -143.36206 962.14445
2315.0000 -151.62703 -143.41917 8.20786 2.68854 -143.28262 954.64827
2320.0000 -151.26598 -144.82956 6.43642 2.64154 -144.02678 888.04495
2325.0000 -153.19380 -145.37496 7.81884 2.54269 -145.59188 846.88774
2330.0000 -150.59702 -142.87560 7.72141 2.63125 -144.18976 922.32481
2335.0000 -149.95384 -142.74008 7.21376 2.68082 -143.40491 895.60123
2340.0000 -151.44760 -143.88557 7.56203 2.67722 -143.46182 901.99465
2345.0000 -150.83443 -143.00940 7.82503 2.75233 -142.27269 965.92469
2350.0000 -152.27932 -144.74006 7.53926 2.66673 -143.62800 933.16635
2355.0000 -152.65730 -145.85514 6.80215 2.54300 -145.58687 868.02277
2360.0000 -152.20650 -144.60135 7.60515 2.56975 -145.16345 853.16797
2365.0000 -151.76043 -144.66711 7.09332 2.60756 -144.56481 890.52613
2370.0000 -152.08427 -145.90430 6.17997 2.57304 -145.11136 875.35076
2375.0000 -153.29358 -146.21106 7.08251 2.55075 -145.46424 855.18803
2380.0000 -152.56145 -145.51787 7.04357 2.53884 -145.65280 836.48795
2385.0000 -151.46269 -144.63447 6.82822 2.55584 -145.38373 867.15262
2390.0000 -152.06366 -145.31847 6.74519 2.60197 -144.65332 882.50253
2395.0000 -151.90037 -145.38351 6.51686 2.55483 -145.39959 833.11125
2400.0000 -152.48835 -146.29798 6.19037 2.53029 -145.78822 830.25009
2405.0000 -151.30636 -144.69584 6.61052 2.57103 -145.14311 874.74501
2410.0000 -151.03451 -144.21974 6.81476 2.64720 -143.93708 919.61415
2415.0000 -151.99572 -145.79983 6.19589 2.61024 -144.52234 884.25781
2420.0000 -151.76962 -144.45966 7.30996 2.63083 -144.19638 890.76593
2425.0000 -152.42580 -144.66289 7.76290 2.62537 -144.28272 889.33657
2430.0000 -150.49602 -143.53222 6.96380 2.59767 -144.72135 864.97109
2435.0000 -149.76672 -142.51188 7.25484 2.72123 -142.76511 944.96920
2440.0000 -152.00042 -144.98152 7.01890 2.66355 -143.67836 914.80248
2445.0000 -152.23796 -145.28682 6.95114 2.52825 -145.82051 829.14038
2450.0000 -152.10213 -145.66328 6.43885 2.52097 -145.93577 837.04488
2455.0000 -150.89773 -144.51101 6.38673 2.56450 -145.24647 852.29692
2460.0000 -150.71344 -142.98659 7.72685 2.70115 -143.08300 952.44653
2465.0000 -150.84105 -143.22490 7.61615 2.68034 -143.41249 925.78677
2470.0000 -150.29491 -144.37245 5.92246 2.63219 -144.17480 885.45895
2475.0000 -151.59563 -144.39206 7.20357 2.58272 -144.95805 864.55658
2480.0000 -151.37760 -143.15303 8.22457 2.63903 -144.06657 903.09518
2485.0000 -151.01709 -143.80836 7.20873 2.63961 -144.05726 877.04390
2490.0000 -151.87497 -145.12172 6.75325 2.58051 -144.99305 848.89342
2495.0000 -152.63756 -146.61507 6.02249 2.54464 -145.56102 824.12481
2500.0000 -152.32534 -144.97613 7.34921 2.55162 -145.45046 843.51618
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) -0.14378 -1.62904 0.46865
force_rgl> df(natom) 1.39339 3.27704 -0.83643
2505.0000 -150.94280 -144.99707 5.94573 2.52007 -145.95002 807.11331
2510.0000 -153.22212 -146.33652 6.88559 2.57201 -145.12761 853.50142
2515.0000 -152.91599 -146.95321 5.96278 2.47330 -146.69054 782.33976
2520.0000 -151.45134 -144.52896 6.92239 2.51555 -146.02157 797.72169
2525.0000 -152.41306 -145.66242 6.75064 2.54265 -145.59247 834.28681
2530.0000 -152.49069 -145.69791 6.79277 2.48267 -146.54219 813.20665
2535.0000 -151.51036 -144.29571 7.21464 2.57397 -145.09656 879.23277
2540.0000 -152.29029 -145.13367 7.15662 2.60035 -144.67890 899.14028
2545.0000 -153.13530 -145.80751 7.32779 2.56154 -145.29347 847.47301
2550.0000 -151.73012 -145.09430 6.63581 2.58389 -144.93949 885.90840
2555.0000 -152.46520 -146.04790 6.41731 2.52947 -145.80120 807.32815
2560.0000 -152.84564 -147.13433 5.71130 2.47645 -146.64057 808.61397
2565.0000 -151.49210 -144.36055 7.13156 2.54271 -145.59152 831.20912
2570.0000 -152.03324 -144.32882 7.70442 2.60020 -144.68127 902.03729
2575.0000 -153.85872 -146.97773 6.88098 2.54550 -145.54738 835.42183
2580.0000 -152.51369 -145.53647 6.97721 2.50281 -146.22335 803.78632
2585.0000 -152.93463 -146.50472 6.42991 2.49528 -146.34245 789.81179
2590.0000 -153.87066 -147.56302 6.30764 2.46484 -146.82437 807.29079
2595.0000 -153.52884 -146.28751 7.24134 2.47641 -146.64131 800.06374
2600.0000 -154.82778 -148.28739 6.54038 2.45015 -147.05710 774.03095
2605.0000 -153.73685 -146.12925 7.60759 2.37472 -148.25135 752.03737
2610.0000 -152.39605 -144.33362 8.06243 2.57420 -145.09300 856.32008
2615.0000 -151.73230 -144.79106 6.94124 2.63639 -144.10839 897.16212
2620.0000 -151.95288 -145.27607 6.67681 2.59978 -144.68796 889.23914
2625.0000 -151.80984 -146.06197 5.74787 2.57264 -145.11760 873.54559
2630.0000 -151.53710 -144.19893 7.33817 2.61407 -144.46164 886.38920
2635.0000 -152.33352 -145.81784 6.51569 2.60522 -144.60189 882.59145
2640.0000 -153.49539 -147.13092 6.36448 2.52719 -145.83733 836.40850
2645.0000 -154.18157 -146.62984 7.55173 2.48786 -146.46004 805.26513
2650.0000 -153.67484 -147.23571 6.43913 2.43728 -147.26085 745.61162
2655.0000 -152.43018 -146.00993 6.42025 2.45303 -147.01142 790.71174
2660.0000 -152.95414 -146.21972 6.73442 2.47987 -146.58652 807.70754
2665.0000 -152.05688 -143.54795 8.50894 2.59229 -144.80652 892.39958
2670.0000 -149.32764 -142.32674 7.00091 2.65587 -143.79992 951.80528
2675.0000 -152.19665 -144.52944 7.66721 2.68584 -143.32542 969.36229
2680.0000 -152.29876 -146.05668 6.24208 2.54834 -145.50242 867.78826
2685.0000 -152.63002 -145.80243 6.82760 2.51689 -146.00028 817.80433
2690.0000 -150.64437 -144.64152 6.00285 2.53531 -145.70869 831.26114
2695.0000 -151.18591 -143.86987 7.31605 2.62439 -144.29836 894.80651
2700.0000 -152.00440 -144.07441 7.92999 2.67177 -143.54815 965.94882
2705.0000 -152.09469 -143.51818 8.57652 2.62451 -144.29634 917.71053
2710.0000 -151.97449 -145.18834 6.78615 2.60421 -144.61784 854.81259
2715.0000 -152.42348 -144.93399 7.48950 2.59535 -144.75810 847.71497
2720.0000 -152.28210 -145.34464 6.93746 2.54032 -145.62930 838.19425
2725.0000 -152.21503 -144.96432 7.25070 2.57065 -145.14912 862.37250
2730.0000 -151.33476 -144.85788 6.47688 2.55817 -145.34683 870.36254
2735.0000 -152.86896 -145.34602 7.52294 2.56059 -145.30837 851.94945
2740.0000 -153.16093 -145.93803 7.22290 2.51566 -146.01976 845.86620
2745.0000 -153.72462 -146.28432 7.44030 2.49762 -146.30539 831.01853
2750.0000 -153.29649 -145.33842 7.95806 2.56059 -145.30843 860.60533
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) -2.01394 -3.71727 0.76566
force_rgl> df(natom) 2.81117 -0.62218 -0.50951
2755.0000 -152.36726 -146.39756 5.96969 2.50031 -146.26292 807.98371
2760.0000 -153.60313 -146.58627 7.01686 2.47435 -146.67395 814.76575
2765.0000 -152.08909 -146.24129 5.84780 2.49237 -146.38857 816.46364
2770.0000 -151.39235 -144.93277 6.45958 2.56158 -145.29275 861.31989
2775.0000 -151.56256 -144.37061 7.19195 2.61991 -144.36919 916.01710
2780.0000 -152.23985 -145.15228 7.08757 2.61440 -144.45642 887.52711
2785.0000 -152.28507 -144.95413 7.33094 2.58783 -144.87716 856.68434
2790.0000 -152.47047 -144.19259 8.27788 2.57281 -145.11501 847.19928
2795.0000 -152.86332 -146.19588 6.66743 2.59332 -144.79031 880.29896
2800.0000 -150.24571 -143.35016 6.89555 2.59058 -144.83364 870.89077
2805.0000 -153.19352 -145.86817 7.32535 2.57056 -145.15062 886.01507
2810.0000 -153.71048 -147.44895 6.26152 2.48947 -146.43455 810.89038
2815.0000 -153.65105 -146.54461 7.10644 2.41989 -147.53616 753.13145
2820.0000 -151.98275 -145.37133 6.61142 2.47013 -146.74065 803.70190
2825.0000 -152.86208 -145.73648 7.12559 2.52763 -145.83022 818.85399
2830.0000 -152.48074 -144.81753 7.66320 2.51560 -146.02074 835.88479
2835.0000 -152.10434 -144.92374 7.18060 2.58897 -144.85903 883.31416
2840.0000 -151.37181 -144.87309 6.49873 2.57795 -145.03355 853.55544
2845.0000 -152.84189 -147.45731 5.38458 2.52311 -145.90191 838.36747
2850.0000 -153.24825 -147.22929 6.01896 2.42156 -147.50976 751.28304
2855.0000 -152.64593 -146.65584 5.99009 2.47658 -146.63860 795.81812
2860.0000 -153.39055 -147.77715 5.61341 2.44196 -147.18666 780.74219
2865.0000 -153.00096 -145.72588 7.27508 2.44705 -147.10612 790.46760
2870.0000 -152.21991 -144.79165 7.42826 2.61984 -144.37039 887.66555
2875.0000 -151.91087 -145.26568 6.64519 2.54295 -145.58780 842.33798
2880.0000 -151.04350 -144.24348 6.80002 2.61699 -144.41542 898.05310
2885.0000 -153.19190 -146.38275 6.80915 2.59849 -144.70839 861.74183
2890.0000 -151.39212 -144.61451 6.77761 2.53658 -145.68862 847.60551
2895.0000 -151.40954 -144.91001 6.49952 2.57927 -145.01272 833.09395
2900.0000 -151.47286 -143.40189 8.07097 2.58253 -144.96113 854.61502
2905.0000 -152.62807 -144.56269 8.06537 2.60549 -144.59751 879.85120
2910.0000 -152.39224 -145.66124 6.73100 2.57841 -145.02625 896.38947
2915.0000 -151.99410 -144.92973 7.06437 2.56532 -145.23356 865.94181
2920.0000 -151.99517 -145.01099 6.98418 2.57366 -145.10154 893.80468
2925.0000 -152.04501 -146.56618 5.47882 2.53176 -145.76488 839.13028
2930.0000 -153.35978 -148.04959 5.31019 2.46544 -146.81501 762.93542
2935.0000 -153.13736 -145.18095 7.95641 2.46874 -146.76266 803.62780
2940.0000 -151.12271 -144.14166 6.98106 2.56022 -145.31436 842.46372
2945.0000 -152.41762 -144.01090 8.40672 2.64793 -143.92567 916.75213
2950.0000 -150.06803 -143.89993 6.16810 2.63332 -144.15694 887.73154
2955.0000 -151.50639 -144.33128 7.17511 2.63776 -144.08666 919.50757
2960.0000 -152.35410 -145.71314 6.64096 2.56149 -145.29424 847.47354
2965.0000 -152.53669 -145.90836 6.62833 2.50448 -146.19677 796.67260
2970.0000 -152.10651 -146.18907 5.91743 2.51811 -145.98105 827.33545
2975.0000 -153.65480 -146.49582 7.15898 2.52697 -145.84072 848.45924
2980.0000 -152.53902 -145.80353 6.73549 2.45320 -147.00880 787.62216
2985.0000 -151.57444 -144.32828 7.24616 2.57220 -145.12457 854.17736
2990.0000 -151.85636 -145.90166 5.95470 2.56497 -145.23916 862.66216
2995.0000 -152.76760 -145.12743 7.64017 2.56231 -145.28128 837.26820
3000.0000 -151.91026 -144.82159 7.08867 2.59013 -144.84073 913.09347
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) 0.20471 1.33494 1.81221
force_rgl> df(natom) -2.18777 0.74076 -0.25246
3005.0000 -151.27524 -145.11974 6.15550 2.55149 -145.45255 840.27164
3010.0000 -154.87651 -148.30799 6.56852 2.45453 -146.98769 799.42969
3015.0000 -153.57845 -147.65874 5.91971 2.36003 -148.48391 712.99309
3020.0000 -152.45431 -147.21444 5.23988 2.43770 -147.25415 770.68923
3025.0000 -152.03410 -146.04031 5.99379 2.46315 -146.85120 787.05717
3030.0000 -152.79784 -146.22084 6.57700 2.50190 -146.23771 815.56082
3035.0000 -152.28455 -145.46272 6.82183 2.51169 -146.08270 812.35346
3040.0000 -151.78002 -145.89122 5.88880 2.51529 -146.02568 824.55315
3045.0000 -152.16833 -145.41797 6.75036 2.51065 -146.09920 831.45784
3050.0000 -153.20663 -146.23222 6.97442 2.48756 -146.46474 816.66718
3055.0000 -152.36447 -146.43705 5.92742 2.41798 -147.56632 739.83324
3060.0000 -153.65715 -146.81087 6.84628 2.50751 -146.14885 811.80215
3065.0000 -152.42432 -144.81990 7.60442 2.50389 -146.20611 809.43774
3070.0000 -151.50785 -145.38857 6.11928 2.57421 -145.09277 892.88267
3075.0000 -150.83649 -143.88164 6.95485 2.62412 -144.30254 898.15975
3080.0000 -152.24935 -144.74522 7.50412 2.63107 -144.19261 886.16529
3085.0000 -153.86355 -147.34745 6.51611 2.47069 -146.73176 807.24856
3090.0000 -154.11775 -148.11206 6.00569 2.41810 -147.56449 796.79330
3095.0000 -152.41587 -144.57648 7.83939 2.50208 -146.23480 806.02215
3100.0000 -151.04508 -144.69649 6.34859 2.64667 -143.94555 897.30784
3105.0000 -150.93651 -144.64690 6.28960 2.57768 -145.03780 840.79637
3110.0000 -151.62973 -145.38511 6.24462 2.56248 -145.27854 860.94908
3115.0000 -153.15595 -146.77972 6.37624 2.49566 -146.33651 828.58902
3120.0000 -153.17675 -146.42055 6.75620 2.52781 -145.82746 837.17993
3125.0000 -153.43410 -147.20377 6.23032 2.46458 -146.82850 808.76106
3130.0000 -153.64378 -147.36070 6.28308 2.42998 -147.37634 791.37949
3135.0000 -152.11216 -145.33313 6.77902 2.46502 -146.82167 767.78736
3140.0000 -153.67327 -146.14396 7.52931 2.51930 -145.96222 843.16316
3145.0000 -152.01993 -145.19311 6.82682 2.62413 -144.30243 895.92953
3150.0000 -150.85828 -144.92658 5.93171 2.56746 -145.19966 848.48611
3155.0000 -151.59851 -144.57593 7.02258 2.56154 -145.29347 867.09713
3160.0000 -152.03344 -144.76766 7.26578 2.59857 -144.70712 872.68819
3165.0000 -152.70530 -145.85349 6.85181 2.61443 -144.45593 893.56579
3170.0000 -153.11929 -146.73577 6.38351 2.50073 -146.25620 833.43554
3175.0000 -154.02664 -147.88770 6.13893 2.45336 -147.00623 782.70494
3180.0000 -153.99651 -148.55811 5.43841 2.37423 -148.25900 747.51869
3185.0000 -151.43612 -145.62913 5.80698 2.47203 -146.71056 808.57395
3190.0000 -151.34931 -144.65338 6.69593 2.52879 -145.81190 824.22131
3195.0000 -152.85909 -147.08016 5.77893 2.50976 -146.11324 822.16811
3200.0000 -153.83506 -146.88033 6.95474 2.47563 -146.65357 802.64950
3205.0000 -154.34795 -148.39323 5.95473 2.44598 -147.12311 799.77485
3210.0000 -152.88844 -146.59946 6.28898 2.46259 -146.85999 810.38589
3215.0000 -154.60903 -147.43337 7.17566 2.42782 -147.41054 743.53293
3220.0000 -151.51788 -145.30655 6.21133 2.47803 -146.61553 798.46864
3225.0000 -151.45411 -144.29532 7.15879 2.56044 -145.31087 879.59661
3230.0000 -153.11068 -146.25821 6.85246 2.56557 -145.22954 868.64866
3235.0000 -154.27455 -147.89358 6.38097 2.45815 -146.93033 796.24937
3240.0000 -153.36052 -146.03199 7.32852 2.46487 -146.82391 787.19055
3245.0000 -152.32891 -146.29736 6.03155 2.49002 -146.42584 799.33063
3250.0000 -153.15884 -146.63804 6.52080 2.50431 -146.19954 807.28876
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) 2.56759 0.42555 1.07411
force_rgl> df(natom) 5.10231 0.90437 2.77768
3255.0000 -152.05869 -146.99259 5.06610 2.43400 -147.31276 744.77951
3260.0000 -152.69667 -147.20111 5.49556 2.43672 -147.26964 771.68667
3265.0000 -154.07641 -148.00989 6.06652 2.44566 -147.12815 732.05898
3270.0000 -153.60509 -146.61185 6.99323 2.43423 -147.30910 771.75417
3275.0000 -153.16328 -147.95933 5.20395 2.43378 -147.31616 778.59021
3280.0000 -152.63439 -146.64204 5.99235 2.49446 -146.35552 813.87821
3285.0000 -153.83453 -148.45456 5.37997 2.44172 -147.19046 783.23485
3290.0000 -154.33634 -148.28028 6.05605 2.40837 -147.71849 729.13721
3295.0000 -152.91709 -147.90947 5.00762 2.37510 -148.24525 718.31448
3300.0000 -153.26091 -146.62614 6.63477 2.40727 -147.73592 724.17384
3305.0000 -154.23671 -147.94957 6.28714 2.44807 -147.08993 783.52783
3310.0000 -152.40230 -146.12146 6.28085 2.49520 -146.34375 815.05510
3315.0000 -153.03661 -146.21528 6.82134 2.47080 -146.73001 829.95988
3320.0000 -152.65038 -146.17206 6.47832 2.47980 -146.58765 820.61599
3325.0000 -152.92648 -145.91155 7.01492 2.50352 -146.21205 812.99708
3330.0000 -152.00679 -144.77927 7.22752 2.52545 -145.86488 858.48342
3335.0000 -152.87501 -146.52949 6.34551 2.59698 -144.73234 898.90771
3340.0000 -152.75043 -147.25924 5.49119 2.50276 -146.22410 804.11764
3345.0000 -153.37553 -147.37024 6.00529 2.39770 -147.88742 748.86268
3350.0000 -156.13422 -149.47652 6.65771 2.36573 -148.39370 757.60578
3355.0000 -154.23842 -148.28481 5.95361 2.33115 -148.94119 705.34383
3360.0000 -154.15790 -147.70737 6.45053 2.36448 -148.41338 737.72099
3365.0000 -153.86083 -147.28890 6.57192 2.40171 -147.82393 746.11772
3370.0000 -152.26229 -146.66252 5.59977 2.47883 -146.60294 778.40037
3375.0000 -152.97585 -146.28445 6.69140 2.44268 -147.17532 764.15127
3380.0000 -153.30739 -147.09020 6.21719 2.46225 -146.86541 781.96540
3385.0000 -153.57917 -146.43969 7.13948 2.44362 -147.16035 780.29321
3390.0000 -153.13539 -147.00826 6.12714 2.44923 -147.07167 754.84744
3395.0000 -153.23692 -147.28931 5.94761 2.43775 -147.25333 759.85762
3400.0000 -153.41270 -147.24313 6.16958 2.44770 -147.09577 818.78050
3405.0000 -152.77643 -145.76890 7.00753 2.47365 -146.68496 805.68380
3410.0000 -152.55531 -145.22489 7.33042 2.54868 -145.49694 831.66301
3415.0000 -154.14638 -147.93843 6.20795 2.47735 -146.62635 795.72067
3420.0000 -154.22935 -148.47302 5.75633 2.41202 -147.66072 746.23710
3425.0000 -153.77886 -147.53882 6.24004 2.46109 -146.88376 804.96658
3430.0000 -153.38650 -147.51834 5.86816 2.41085 -147.67926 733.96279
3435.0000 -153.79355 -147.81771 5.97584 2.47233 -146.70590 780.51983
3440.0000 -153.13921 -145.86522 7.27399 2.43515 -147.29456 774.02568
3445.0000 -153.05841 -147.09075 5.96766 2.46607 -146.80500 778.97122
3450.0000 -154.35248 -147.94030 6.41217 2.41397 -147.62982 770.36938
3455.0000 -154.59504 -148.51775 6.07729 2.36587 -148.39145 732.39009
3460.0000 -154.21944 -148.43122 5.78822 2.38080 -148.15499 733.70454
3465.0000 -154.80655 -148.31848 6.48807 2.37725 -148.21123 762.60304
3470.0000 -152.44149 -146.08388 6.35761 2.45385 -146.99848 774.15942
3475.0000 -153.99296 -146.83821 7.15475 2.49039 -146.41991 848.26695
3480.0000 -154.81549 -149.87107 4.94442 2.38736 -148.05126 749.68808
3485.0000 -155.54694 -150.59205 4.95489 2.23999 -150.38453 642.95715
3490.0000 -153.79990 -148.04480 5.75511 2.31816 -149.14686 667.71072
3495.0000 -153.74917 -148.38453 5.36464 2.42207 -147.50156 745.92727
3500.0000 -155.11376 -149.24198 5.87178 2.38971 -148.01403 719.85049
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) -1.53681 4.23350 -1.38132
force_rgl> df(natom) 3.02470 1.12209 2.15167
3505.0000 -154.20265 -148.67717 5.52548 2.31824 -149.14555 714.39068
3510.0000 -154.66389 -148.40838 6.25551 2.37424 -148.25888 747.08106
3515.0000 -154.52165 -147.66097 6.86068 2.37679 -148.21858 716.63547
3520.0000 -153.21236 -147.85108 5.36128 2.41015 -147.69039 750.75813
3525.0000 -153.32128 -146.24593 7.07535 2.46014 -146.89882 792.83437
3530.0000 -154.04501 -147.21245 6.83257 2.46309 -146.85221 789.15312
3535.0000 -154.25053 -147.33288 6.91765 2.47063 -146.73282 803.19559
3540.0000 -153.29793 -146.50996 6.78798 2.44830 -147.08632 801.08779
3545.0000 -153.14787 -146.20163 6.94624 2.51900 -145.96694 826.11336
3550.0000 -153.52829 -148.12994 5.39835 2.44414 -147.15216 795.68924
3555.0000 -153.32919 -147.51732 5.81186 2.42337 -147.48099 751.79704
3560.0000 -154.17661 -148.48884 5.68777 2.38435 -148.09880 721.97125
3565.0000 -154.43682 -148.39398 6.04284 2.32247 -149.07858 701.44994
3570.0000 -154.14593 -148.63268 5.51325 2.33524 -148.87636 713.64749
3575.0000 -153.18815 -147.07985 6.10830 2.40687 -147.74231 769.81558
3580.0000 -155.00473 -148.96973 6.03501 2.37675 -148.21909 753.65005
3585.0000 -152.95825 -147.38985 5.56840 2.37931 -148.17860 711.40074
3590.0000 -151.74451 -145.70398 6.04053 2.44461 -147.14468 747.72087
3595.0000 -153.08368 -145.41814 7.66554 2.49137 -146.40445 793.59661
3600.0000 -153.18475 -146.45925 6.72550 2.53102 -145.77656 819.68544
3605.0000 -152.86430 -146.40659 6.45771 2.46648 -146.79849 793.09757
3610.0000 -154.09620 -146.34897 7.74723 2.49069 -146.41512 811.71263
3615.0000 -153.24806 -146.80014 6.44792 2.52916 -145.80615 841.41721
3620.0000 -154.53136 -148.40481 6.12656 2.43124 -147.35638 779.47904
3625.0000 -153.64107 -146.98751 6.65355 2.42754 -147.41502 774.75619
3630.0000 -153.40365 -147.03267 6.37097 2.42011 -147.53264 777.86091
3635.0000 -154.33061 -146.74921 7.58140 2.48728 -146.46913 817.78372
3640.0000 -153.75948 -147.40339 6.35609 2.47021 -146.73941 803.96880
3645.0000 -153.84322 -147.79359 6.04962 2.42283 -147.48955 754.62860
3650.0000 -153.63372 -146.94440 6.68933 2.41260 -147.65150 716.36952
3655.0000 -153.13235 -146.96767 6.16468 2.46005 -146.90033 800.76275
3660.0000 -155.11402 -148.31909 6.79493 2.42459 -147.46166 777.74535
3665.0000 -152.94858 -147.07759 5.87099 2.44043 -147.21085 764.51435
3670.0000 -153.64292 -147.45393 6.18898 2.43757 -147.25624 749.28400
3675.0000 -152.95954 -146.99020 5.96934 2.40534 -147.76653 725.70980
3680.0000 -153.89292 -147.27036 6.62256 2.46881 -146.76165 812.77998
3685.0000 -154.62109 -147.70374 6.91735 2.46211 -146.86767 823.79641
3690.0000 -152.76122 -146.28496 6.47626 2.45421 -146.99268 804.39436
3695.0000 -153.50580 -147.51596 5.98984 2.44855 -147.08243 767.11133
3700.0000 -153.66994 -148.74201 4.92793 2.38067 -148.15706 718.66175
3705.0000 -154.54828 -147.18725 7.36104 2.37191 -148.29584 752.61607
3710.0000 -152.95095 -146.91822 6.03273 2.41537 -147.60777 764.09043
3715.0000 -152.73984 -146.19204 6.54781 2.48663 -146.47942 828.35550
3720.0000 -153.42786 -146.77743 6.65043 2.45661 -146.95468 807.43980
3725.0000 -154.29692 -147.82258 6.47435 2.44539 -147.13246 775.94878
3730.0000 -154.10698 -147.87120 6.23578 2.40764 -147.73004 764.41719
3735.0000 -153.21808 -145.93664 7.28144 2.46956 -146.74973 803.44242
3740.0000 -153.40028 -146.77410 6.62618 2.49676 -146.31899 829.51573
3745.0000 -154.45379 -148.25534 6.19845 2.41858 -147.55681 758.94158
3750.0000 -152.99330 -146.19106 6.80224 2.46344 -146.84668 789.56792
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) 4.47702 1.52767 2.40597
force_rgl> df(natom) 2.80032 -0.06351 -0.45917
3755.0000 -154.16526 -148.11036 6.05491 2.49194 -146.39541 823.48478
3760.0000 -154.70003 -149.33516 5.36487 2.34137 -148.77934 714.83641
3765.0000 -154.62191 -148.40150 6.22040 2.30771 -149.31232 688.33759
3770.0000 -154.65915 -148.77294 5.88621 2.34688 -148.69214 682.31742
3775.0000 -153.81253 -146.80658 7.00595 2.38768 -148.04608 716.57032
3780.0000 -153.68898 -148.10831 5.58067 2.38600 -148.07275 715.52882
3785.0000 -154.92671 -148.93424 5.99248 2.35044 -148.63579 708.65311
3790.0000 -153.12860 -147.17883 5.94977 2.39552 -147.92198 728.50207
3795.0000 -152.71731 -146.55961 6.15771 2.46594 -146.80709 791.88888
3800.0000 -152.61409 -146.53670 6.07739 2.47635 -146.64220 786.33528
3805.0000 -152.99209 -146.43722 6.55487 2.44626 -147.11860 772.00947
3810.0000 -153.24302 -147.22596 6.01706 2.47048 -146.73507 804.93888
3815.0000 -153.27295 -147.81653 5.45642 2.38396 -148.10495 724.31466
3820.0000 -152.84975 -146.77913 6.07062 2.44694 -147.10780 775.22919
3825.0000 -153.59622 -146.88918 6.70704 2.41819 -147.56305 747.22609
3830.0000 -153.35188 -147.09323 6.25865 2.45862 -146.92289 774.05170
3835.0000 -155.99640 -150.21995 5.77645 2.36736 -148.36783 719.21536
3840.0000 -153.55317 -147.41345 6.13972 2.34858 -148.66510 709.29710
3845.0000 -154.67706 -149.16810 5.50896 2.36103 -148.46804 716.50743
3850.0000 -155.37442 -148.75000 6.62442 2.33277 -148.91557 720.57186
3855.0000 -154.35794 -149.59224 4.76570 2.34733 -148.68493 702.99560
3860.0000 -152.69280 -147.13427 5.55853 2.37571 -148.23563 708.70574
3865.0000 -154.32276 -148.55186 5.77090 2.40905 -147.70784 761.70573
3870.0000 -152.91654 -146.80123 6.11531 2.43456 -147.30389 769.85915
3875.0000 -154.78845 -147.72711 7.06134 2.44335 -147.16470 768.62513
3880.0000 -154.96911 -149.30890 5.66021 2.34333 -148.74833 684.61536
3885.0000 -153.01662 -146.87309 6.14353 2.40550 -147.76400 740.27628
3890.0000 -153.04113 -146.98923 6.05190 2.47880 -146.60345 784.61606
3895.0000 -153.83853 -146.86200 6.97653 2.44098 -147.20222 785.91703
3900.0000 -153.62598 -147.59810 6.02788 2.43416 -147.31017 728.37241
3905.0000 -153.68538 -148.19035 5.49503 2.39222 -147.97430 723.21033
3910.0000 -153.56411 -147.98105 5.58305 2.36629 -148.38480 720.06392
3915.0000 -154.49680 -149.29904 5.19775 2.36779 -148.36095 742.12567
3920.0000 -154.31852 -148.38599 5.93253 2.35166 -148.61645 727.74386
3925.0000 -154.16982 -149.04708 5.12273 2.32689 -149.00859 708.35337
3930.0000 -153.55568 -147.45832 6.09737 2.36817 -148.35500 738.42178
3935.0000 -152.49635 -145.50749 6.98886 2.47221 -146.70772 811.97102
3940.0000 -154.25262 -147.78533 6.46729 2.47574 -146.65187 788.08130
3945.0000 -153.41889 -146.93069 6.48820 2.46872 -146.76309 775.70807
3950.0000 -152.72627 -146.48736 6.23891 2.43152 -147.35198 768.36991
3955.0000 -154.77761 -147.66935 7.10826 2.42905 -147.39108 750.51745
3960.0000 -154.11011 -146.81251 7.29760 2.41876 -147.55397 753.91716
3965.0000 -152.99096 -147.21108 5.77988 2.43639 -147.27486 730.20797
3970.0000 -156.00890 -149.39308 6.61581 2.37540 -148.24055 717.42067
3975.0000 -155.04992 -149.29408 5.75584 2.28663 -149.64605 675.23149
3980.0000 -153.31588 -147.90146 5.41442 2.38011 -148.16595 722.50603
3985.0000 -153.47691 -147.63957 5.83733 2.38600 -148.07272 734.26433
3990.0000 -154.54021 -149.18113 5.35908 2.32208 -149.08481 678.53816
3995.0000 -155.06627 -149.55345 5.51282 2.31551 -149.18873 664.89421
4000.0000 -154.65863 -150.42402 4.23462 2.27119 -149.89046 648.76479
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) 0.52061 -2.61442 -0.05562
force_rgl> df(natom) -1.94240 -0.57841 1.49043
4005.0000 -155.57706 -150.54663 5.03043 2.26308 -150.01882 650.51425
4010.0000 -156.77090 -150.23926 6.53164 2.22625 -150.60194 642.41049
4015.0000 -153.16264 -148.26277 4.89988 2.29629 -149.49309 662.59751
4020.0000 -153.68735 -147.58474 6.10261 2.37943 -148.17665 736.37475
4025.0000 -154.68545 -146.97282 7.71263 2.43786 -147.25157 806.94501
4030.0000 -155.23835 -149.41160 5.82676 2.35535 -148.55792 741.47901
4035.0000 -155.82045 -150.34317 5.47728 2.27813 -149.78058 694.79400
4040.0000 -154.25797 -149.26059 4.99739 2.29207 -149.55984 682.04764
4045.0000 -156.64483 -149.92745 6.71738 2.29858 -149.45676 691.89507
4050.0000 -154.40320 -149.31576 5.08743 2.32189 -149.08778 707.11498
4055.0000 -154.68377 -149.18835 5.49542 2.34857 -148.66538 718.86687
4060.0000 -154.64232 -148.66084 5.98148 2.30642 -149.33266 694.84754
4065.0000 -154.86254 -148.73254 6.13000 2.34326 -148.74946 710.21836
4070.0000 -155.44904 -148.60123 6.84781 2.35784 -148.51849 691.76813
4075.0000 -155.32396 -150.06400 5.25996 2.37588 -148.23290 755.81973
4080.0000 -155.92284 -149.83399 6.08885 2.28465 -149.67743 675.36609
4085.0000 -155.64222 -149.62209 6.02013 2.24682 -150.27627 644.46174
4090.0000 -154.80392 -148.54354 6.26038 2.31675 -149.16918 731.92919
4095.0000 -153.70736 -148.22053 5.48683 2.35633 -148.54249 709.60032
4100.0000 -153.75133 -148.13987 5.61145 2.40323 -147.79985 769.47533
4105.0000 -155.11447 -149.17890 5.93557 2.34583 -148.70865 740.25397
4110.0000 -154.17462 -148.60865 5.56597 2.33168 -148.93269 693.95391
4115.0000 -154.55369 -148.91651 5.63718 2.37197 -148.29487 736.02557
4120.0000 -155.83453 -149.54464 6.28988 2.32499 -149.03870 702.52867
4125.0000 -154.87739 -147.95994 6.91745 2.27994 -149.75199 677.15886
4130.0000 -155.07395 -149.66149 5.41246 2.30862 -149.29790 704.63242
4135.0000 -154.54175 -148.74965 5.79210 2.32710 -149.00522 727.35635
4140.0000 -154.71745 -149.19202 5.52543 2.29726 -149.47773 657.71946
4145.0000 -154.84909 -149.57442 5.27467 2.27289 -149.86357 669.16663
4150.0000 -157.38466 -151.01316 6.37150 2.25014 -150.22383 689.86022
4155.0000 -155.77214 -150.42630 5.34584 2.22461 -150.62798 672.45967
4160.0000 -155.70551 -149.85485 5.85066 2.24824 -150.25392 657.72326
4165.0000 -154.32853 -148.58252 5.74601 2.30066 -149.42390 683.19351
4170.0000 -154.32798 -148.75073 5.57725 2.37880 -148.18673 742.50563
4175.0000 -154.31728 -148.75011 5.56718 2.37628 -148.22667 719.49176
4180.0000 -153.19294 -148.08357 5.10937 2.35873 -148.50453 698.42472
4185.0000 -153.57011 -147.98094 5.58917 2.37759 -148.20579 701.83645
4190.0000 -153.96240 -146.51777 7.44463 2.40169 -147.82428 758.60928
4195.0000 -153.42016 -148.09581 5.32435 2.41171 -147.66563 746.72047
4200.0000 -153.33530 -147.98640 5.34890 2.37720 -148.21202 720.86156
4205.0000 -153.62986 -148.14516 5.48470 2.37087 -148.31222 692.18803
4210.0000 -154.10776 -148.29625 5.81150 2.37291 -148.28002 729.79346
4215.0000 -154.38945 -148.75562 5.63383 2.34414 -148.73540 710.26342
4220.0000 -153.75790 -147.75696 6.00094 2.39164 -147.98337 717.34399
4225.0000 -154.46411 -148.41584 6.04827 2.35828 -148.51152 682.98696
4230.0000 -154.97949 -148.97675 6.00274 2.32333 -149.06497 688.87688
4235.0000 -155.48212 -149.65904 5.82307 2.30773 -149.31202 691.37543
4240.0000 -154.23247 -148.61255 5.61992 2.26493 -149.98953 659.72535
4245.0000 -154.37996 -148.27747 6.10249 2.37797 -148.19987 728.93702
4250.0000 -152.90149 -147.62420 5.27730 2.40817 -147.72175 749.49160
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) -2.02840 0.67196 -0.79547
force_rgl> df(natom) -0.30414 -1.32445 0.58003
4255.0000 -154.81504 -149.71366 5.10138 2.37079 -148.31346 739.82118
4260.0000 -154.75381 -148.91564 5.83817 2.30042 -149.42770 678.94349
4265.0000 -154.31949 -148.91615 5.40334 2.28676 -149.64391 674.68967
4270.0000 -154.00902 -147.93568 6.07334 2.33995 -148.80188 688.35000
4275.0000 -155.46187 -149.24743 6.21444 2.35800 -148.51599 705.85554
4280.0000 -155.18485 -149.04261 6.14223 2.33034 -148.95394 699.30000
4285.0000 -156.15751 -149.82225 6.33526 2.28419 -149.68459 657.62556
4290.0000 -155.48387 -149.45151 6.03236 2.30287 -149.38889 680.25112
4295.0000 -154.67616 -149.66923 5.00694 2.27675 -149.80244 672.28835
4300.0000 -154.93510 -149.58444 5.35067 2.31667 -149.17037 690.28640
4305.0000 -155.31072 -149.55661 5.75412 2.29615 -149.49525 650.49966
4310.0000 -154.17990 -147.72228 6.45761 2.35219 -148.60800 711.24113
4315.0000 -155.21900 -149.53214 5.68687 2.32886 -148.97740 691.94711
4320.0000 -153.84696 -148.11940 5.72755 2.34403 -148.73724 721.79679
4325.0000 -155.51473 -149.14888 6.36585 2.38323 -148.11660 748.20266
4330.0000 -155.61280 -149.97901 5.63378 2.29631 -149.49273 684.04943
4335.0000 -155.55598 -151.40543 4.15056 2.22280 -150.65662 641.10525
4340.0000 -155.36211 -149.51761 5.84450 2.19546 -151.08954 614.40847
4345.0000 -155.53718 -150.01091 5.52627 2.28636 -149.65026 687.45810
4350.0000 -155.39903 -150.65616 4.74287 2.18547 -151.24769 597.11191
4355.0000 -155.55154 -150.40604 5.14550 2.25925 -150.07947 636.80308
4360.0000 -154.61489 -149.18894 5.42595 2.28532 -149.66683 665.55471
4365.0000 -155.57059 -149.53989 6.03070 2.31286 -149.23070 698.65387
4370.0000 -155.06930 -149.32847 5.74084 2.28914 -149.60632 677.86531
4375.0000 -155.19773 -149.11851 6.07922 2.31958 -149.12439 701.50833
4380.0000 -155.81749 -149.68102 6.13647 2.29614 -149.49541 642.37194
4385.0000 -153.96654 -148.49553 5.47101 2.30554 -149.34658 674.43225
4390.0000 -153.47190 -146.72626 6.74564 2.40754 -147.73171 753.43164
4395.0000 -154.23790 -148.17387 6.06403 2.41138 -147.67084 726.42874
4400.0000 -154.95764 -148.54368 6.41396 2.40315 -147.80111 742.60417
4405.0000 -154.17231 -148.86626 5.30606 2.35737 -148.52597 726.16080
4410.0000 -154.99224 -149.62805 5.36418 2.33692 -148.84974 676.04293
4415.0000 -154.61377 -149.71385 4.89992 2.28764 -149.63006 661.36478
4420.0000 -155.19388 -149.68086 5.51302 2.25039 -150.21978 638.37578
4425.0000 -156.08409 -151.22402 4.86007 2.21663 -150.75440 590.86074
4430.0000 -155.17169 -150.87431 4.29739 2.23545 -150.45630 623.36079
4435.0000 -154.20062 -149.56055 4.64007 2.22664 -150.59590 603.55578
4440.0000 -154.54087 -148.92706 5.61381 2.29156 -149.56799 652.14436
4445.0000 -155.06908 -150.06133 5.00775 2.30680 -149.32668 657.66394
4450.0000 -155.36048 -149.29349 6.06699 2.31652 -149.17278 693.55950
4455.0000 -155.10378 -149.40729 5.69649 2.33007 -148.95829 702.76124
4460.0000 -155.79636 -149.93334 5.86302 2.29789 -149.46769 690.37540
4465.0000 -154.47423 -149.36099 5.11324 2.31658 -149.17188 707.22270
4470.0000 -155.48852 -150.66941 4.81911 2.21759 -150.73905 591.40013
4475.0000 -155.80989 -150.66993 5.13996 2.22225 -150.66529 616.84969
4480.0000 -153.68942 -148.83253 4.85689 2.24368 -150.32612 621.45675
4485.0000 -155.16503 -149.84247 5.32256 2.31834 -149.14398 685.55245
4490.0000 -155.40068 -150.04816 5.35252 2.28274 -149.70765 668.43058
4495.0000 -154.79655 -149.34100 5.45555 2.32264 -149.07586 698.90791
4500.0000 -154.46734 -149.64807 4.81926 2.31125 -149.25622 701.29620
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) -0.27684 -0.75949 -2.10009
force_rgl> df(natom) 0.94867 -2.16471 3.39450
4505.0000 -155.66306 -150.03774 5.62532 2.26887 -149.92716 661.49998
4510.0000 -155.11560 -150.00614 5.10947 2.26393 -150.00547 660.79757
4515.0000 -154.53780 -149.72148 4.81632 2.31423 -149.20898 689.00336
4520.0000 -155.73095 -149.76547 5.96548 2.29868 -149.45517 703.61436
4525.0000 -154.94600 -149.31526 5.63074 2.29854 -149.45739 672.49234
4530.0000 -155.48771 -150.57548 4.91223 2.27619 -149.81137 643.98954
4535.0000 -156.87580 -152.50881 4.36699 2.18421 -151.26765 583.22866
4540.0000 -156.53080 -151.40110 5.12970 2.15204 -151.77699 570.38204
4545.0000 -154.91825 -149.30217 5.61608 2.23823 -150.41236 656.62916
4550.0000 -156.44410 -151.23896 5.20513 2.27614 -149.81206 687.96755
4555.0000 -156.47029 -152.14550 4.32480 2.17220 -151.45783 604.94337
4560.0000 -155.70424 -150.66364 5.04060 2.20646 -150.91529 616.58554
4565.0000 -154.46271 -149.53805 4.92466 2.27830 -149.77785 674.98387
4570.0000 -155.75925 -149.68315 6.07610 2.31392 -149.21400 714.22966
4575.0000 -155.04084 -149.84094 5.19990 2.30118 -149.41570 710.04429
4580.0000 -155.54633 -150.36933 5.17699 2.24018 -150.38144 625.83206
4585.0000 -155.88255 -150.82582 5.05673 2.25230 -150.18962 630.56590
4590.0000 -155.96136 -150.33421 5.62715 2.22275 -150.65737 611.10463
4595.0000 -155.65206 -149.93903 5.71303 2.28889 -149.61017 654.33380
4600.0000 -154.39245 -149.27896 5.11349 2.29404 -149.52870 677.15663
4605.0000 -154.45752 -148.07984 6.37769 2.34996 -148.64327 717.43238
4610.0000 -154.59456 -149.40211 5.19245 2.30112 -149.41665 676.56891
4615.0000 -155.14062 -150.17433 4.96629 2.27344 -149.85492 647.88368
4620.0000 -155.21088 -149.81467 5.39621 2.24795 -150.25841 640.46614
4625.0000 -154.33297 -148.74921 5.58375 2.30879 -149.29523 682.19347
4630.0000 -153.77491 -148.96624 4.80867 2.31220 -149.24125 681.66871
4635.0000 -154.32380 -148.81278 5.51102 2.32504 -149.03796 692.22122
4640.0000 -155.10635 -148.40880 6.69756 2.35646 -148.54044 702.35201
4645.0000 -153.88418 -148.21323 5.67094 2.35484 -148.56600 701.57768
4650.0000 -154.76835 -148.55566 6.21268 2.37077 -148.31386 728.64016
4655.0000 -155.26986 -149.64811 5.62175 2.32393 -149.05538 695.53055
4660.0000 -155.24978 -149.19935 6.05044 2.30139 -149.41239 675.78772
4665.0000 -154.71861 -149.40777 5.31085 2.29368 -149.53448 678.95821
4670.0000 -155.11053 -149.90520 5.20533 2.31620 -149.17777 702.45564
4675.0000 -156.24260 -151.30753 4.93507 2.22187 -150.67134 615.07161
4680.0000 -155.28474 -149.97471 5.31003 2.18415 -151.26852 577.68868
4685.0000 -156.39573 -150.60322 5.79250 2.20313 -150.96810 611.23254
4690.0000 -155.92290 -150.89674 5.02615 2.22469 -150.62669 607.92185
4695.0000 -155.73613 -150.94059 4.79554 2.19194 -151.14519 582.33032
4700.0000 -153.96326 -149.14941 4.81385 2.27632 -149.80924 641.20501
4705.0000 -155.84621 -150.54840 5.29780 2.28008 -149.74966 660.89039
4710.0000 -155.16260 -151.13513 4.02746 2.20751 -150.89874 607.22113
4715.0000 -154.22200 -149.08895 5.13306 2.26792 -149.94223 651.92506
4720.0000 -153.86848 -147.78602 6.08247 2.37455 -148.25403 700.07557
4725.0000 -155.03565 -149.74522 5.29043 2.31942 -149.12684 675.47531
4730.0000 -154.10088 -149.30505 4.79584 2.31324 -149.22470 673.20992
4735.0000 -155.18836 -149.80777 5.38059 2.32309 -149.06880 668.49140
4740.0000 -155.83971 -150.85829 4.98142 2.22800 -150.57437 634.86950
4745.0000 -154.85718 -149.69091 5.16627 2.23642 -150.44105 625.15841
4750.0000 -155.36463 -149.85917 5.50546 2.28999 -149.59289 642.92190
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) -0.63766 0.25358 4.33235
force_rgl> df(natom) -0.28488 -0.87030 2.42746
4755.0000 -155.77627 -150.93573 4.84054 2.25395 -150.16348 626.25676
4760.0000 -155.39516 -149.80379 5.59137 2.24710 -150.27188 621.92944
4765.0000 -155.51065 -149.84914 5.66151 2.27757 -149.78940 675.74029
4770.0000 -154.04202 -148.10294 5.93908 2.30763 -149.31352 675.67604
4775.0000 -155.08094 -149.41154 5.66940 2.36312 -148.43491 685.66930
4780.0000 -156.22570 -151.04525 5.18045 2.28323 -149.69988 675.83496
4785.0000 -155.30867 -150.00330 5.30537 2.23567 -150.45283 620.75538
4790.0000 -154.15063 -148.25397 5.89666 2.35553 -148.55512 696.25887
4795.0000 -154.57505 -148.57548 5.99956 2.34590 -148.70753 715.58581
4800.0000 -154.82167 -148.30593 6.51575 2.34365 -148.74321 710.89318
4805.0000 -154.96785 -149.45430 5.51354 2.33032 -148.95422 679.98675
4810.0000 -155.37133 -150.25483 5.11650 2.26967 -149.91449 660.73670
4815.0000 -154.34044 -148.87764 5.46281 2.30290 -149.38838 671.94414
4820.0000 -156.38128 -151.52033 4.86096 2.26269 -150.02511 650.55653
4825.0000 -156.24145 -150.21989 6.02156 2.20576 -150.92637 618.26275
4830.0000 -155.32023 -149.94157 5.37866 2.24716 -150.27102 645.84886
4835.0000 -156.32282 -150.07710 6.24572 2.24691 -150.27494 669.47056
4840.0000 -156.43970 -151.06939 5.37031 2.22970 -150.54742 664.55530
4845.0000 -157.25121 -152.11621 5.13500 2.14328 -151.91575 586.85628
4850.0000 -156.82953 -151.76308 5.06645 2.15359 -151.75241 600.85716
4855.0000 -156.90324 -151.96352 4.93972 2.14109 -151.95028 572.52090
4860.0000 -155.46636 -150.16522 5.30114 2.23508 -150.46223 648.26836
4865.0000 -155.02581 -149.49436 5.53145 2.25117 -150.20751 627.55738
4870.0000 -156.18546 -151.07959 5.10587 2.27108 -149.89220 660.37092
4875.0000 -156.28031 -151.53386 4.74645 2.17014 -151.49041 590.27054
4880.0000 -154.90036 -148.89885 6.00151 2.20743 -150.89992 642.11654
4885.0000 -156.41811 -151.10769 5.31042 2.23753 -150.42336 636.77243
4890.0000 -156.42640 -151.26785 5.15855 2.19276 -151.13228 608.89580
4895.0000 -155.60605 -150.40219 5.20385 2.16242 -151.61255 589.53240
4900.0000 -156.94560 -152.09612 4.84948 2.21644 -150.75733 642.52213
4905.0000 -157.16826 -152.55414 4.61412 2.12393 -152.22201 583.21521
4910.0000 -156.20494 -151.35907 4.84587 2.12246 -152.24527 577.10284
4915.0000 -155.51230 -150.11611 5.39620 2.21397 -150.79640 611.68869
4920.0000 -155.12385 -150.62903 4.49482 2.24846 -150.25039 638.67555
4925.0000 -155.60712 -150.42271 5.18440 2.26045 -150.06054 614.35008
4930.0000 -155.97197 -150.94138 5.03059 2.22931 -150.55353 621.18873
4935.0000 -155.96962 -150.94735 5.02228 2.24607 -150.28817 626.95653
4940.0000 -155.99487 -150.47879 5.51608 2.22901 -150.55839 642.67937
4945.0000 -155.35346 -150.32134 5.03212 2.19201 -151.14414 622.25774
4950.0000 -155.24380 -149.69059 5.55321 2.26059 -150.05834 668.67272
4955.0000 -155.17781 -147.74746 7.43035 2.33240 -148.92128 688.62032
4960.0000 -154.92003 -149.23081 5.68922 2.34875 -148.66241 705.66150
4965.0000 -155.80604 -150.03916 5.76688 2.28220 -149.71613 679.97735
4970.0000 -155.14721 -150.58909 4.55812 2.23903 -150.39972 616.54806
4975.0000 -155.83448 -151.14953 4.68495 2.21420 -150.79284 625.96965
4980.0000 -155.77384 -150.54298 5.23086 2.17621 -151.39431 619.35193
4985.0000 -156.21992 -150.94877 5.27115 2.20067 -151.00697 625.03387
4990.0000 -157.33146 -152.23127 5.10020 2.17406 -151.42831 602.41277
4995.0000 -156.51569 -151.92906 4.58663 2.10820 -152.47110 583.84376
5000.0000 -154.97450 -150.28223 4.69227 2.17356 -151.43632 630.11854
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) 1.80928 -0.28379 1.48315
force_rgl> df(natom) 1.52915 2.01306 -0.89367
5005.0000 -157.16188 -152.19348 4.96840 2.14119 -151.94877 578.52402
5010.0000 -156.34705 -152.01508 4.33197 2.10683 -152.49284 564.07341
5015.0000 -157.37453 -152.43730 4.93723 2.11908 -152.29889 565.52848
5020.0000 -157.36942 -152.36766 5.00177 2.12318 -152.23398 580.62962
5025.0000 -155.48513 -151.96234 3.52279 2.13699 -152.01532 578.82197
5030.0000 -153.45629 -148.74995 4.70634 2.23156 -150.51795 622.78456
5035.0000 -155.54122 -149.89618 5.64504 2.28693 -149.64124 685.27164
5040.0000 -156.82221 -151.69850 5.12370 2.21723 -150.74484 637.83356
5045.0000 -156.66337 -152.18066 4.48271 2.11451 -152.37115 585.41526
5050.0000 -156.66476 -151.60209 5.06267 2.15577 -151.71789 614.41926
5055.0000 -157.06684 -152.74014 4.32670 2.11488 -152.36526 565.59423
5060.0000 -156.73415 -152.31523 4.41892 2.11381 -152.38234 585.92600
5065.0000 -156.59907 -151.22525 5.37381 2.17554 -151.40495 631.67660
5070.0000 -156.01688 -151.26132 4.75555 2.20181 -150.98892 623.78968
5075.0000 -156.05095 -151.48629 4.56466 2.19918 -151.03067 603.29000
5080.0000 -156.19355 -151.24033 4.95322 2.18560 -151.24568 606.23478
5085.0000 -155.89284 -151.12891 4.76393 2.22796 -150.57500 635.79826
5090.0000 -156.32677 -151.99025 4.33652 2.16230 -151.61450 599.10369
5095.0000 -156.97889 -151.73674 5.24215 2.12066 -152.27385 563.46306
5100.0000 -156.36725 -151.63777 4.72948 2.17724 -151.37805 612.52525
5105.0000 -156.59002 -151.73464 4.85538 2.12077 -152.27203 563.98133
5110.0000 -156.91865 -152.19634 4.72231 2.15133 -151.78819 603.15012
5115.0000 -157.78536 -152.19135 5.59401 2.07606 -152.97993 549.87483
5120.0000 -157.35946 -152.35259 5.00687 2.09158 -152.73428 568.33975
5125.0000 -155.67902 -150.64912 5.02990 2.17101 -151.47659 625.90700
5130.0000 -156.26631 -150.90294 5.36337 2.19316 -151.12586 615.49215
5135.0000 -155.34047 -150.54247 4.79801 2.20702 -150.90644 603.21679
5140.0000 -155.75702 -151.06600 4.69102 2.22181 -150.67238 629.56774
5145.0000 -157.25632 -153.08385 4.17247 2.13531 -152.04193 597.49921
5150.0000 -156.58918 -152.71590 3.87328 2.10794 -152.47516 583.24816
5155.0000 -156.10991 -151.95162 4.15829 2.10017 -152.59816 549.25350
5160.0000 -155.76801 -150.69022 5.07779 2.20944 -150.86821 618.81537
5165.0000 -156.89790 -150.94742 5.95048 2.25373 -150.16691 648.62139
5170.0000 -155.70089 -151.33025 4.37064 2.21114 -150.84129 629.92520
5175.0000 -155.94512 -150.92446 5.02066 2.17111 -151.47509 588.78952
5180.0000 -156.20167 -151.31096 4.89071 2.18302 -151.28648 595.44034
5185.0000 -156.37335 -151.24262 5.13073 2.17263 -151.45101 575.99469
5190.0000 -155.93817 -150.98227 4.95590 2.20550 -150.93061 599.56067
5195.0000 -156.57394 -151.55595 5.01799 2.16571 -151.56056 584.07551
5200.0000 -156.47808 -151.51392 4.96416 2.19409 -151.11127 609.66432
5205.0000 -156.26560 -150.79616 5.46944 2.22668 -150.59522 630.54763
5210.0000 -155.15923 -150.94998 4.20925 2.23187 -150.51301 623.72597
5215.0000 -156.33858 -150.97941 5.35917 2.21271 -150.81636 586.80930
5220.0000 -156.21667 -151.10717 5.10950 2.19724 -151.06135 602.30298
5225.0000 -156.07128 -150.54835 5.52293 2.22554 -150.61324 619.98958
5230.0000 -156.07759 -151.88816 4.18943 2.18883 -151.19443 602.96325
5235.0000 -155.73334 -150.67624 5.05710 2.19451 -151.10458 603.44185
5240.0000 -157.48316 -152.93566 4.54750 2.13931 -151.97845 555.41305
5245.0000 -156.27907 -151.31246 4.96662 2.14028 -151.96315 555.87459
5250.0000 -156.09056 -151.73423 4.35633 2.17751 -151.37377 594.20981
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) -2.03332 0.14789 -4.08741
force_rgl> df(natom) 1.45954 1.99971 0.01179
5255.0000 -156.43036 -151.10434 5.32602 2.16839 -151.51815 635.96728
5260.0000 -157.07935 -151.14881 5.93055 2.20383 -150.95695 634.30204
5265.0000 -156.96326 -151.98404 4.97921 2.13578 -152.03442 578.29418
5270.0000 -155.44900 -150.85497 4.59403 2.16910 -151.50690 589.31071
5275.0000 -156.42610 -151.91504 4.51105 2.17380 -151.43245 585.76657
5280.0000 -157.11550 -152.78813 4.32737 2.07687 -152.96720 511.39043
5285.0000 -156.83740 -152.15670 4.68071 2.08605 -152.82185 522.51994
5290.0000 -155.50040 -151.00088 4.49953 2.14576 -151.87634 585.13133
5295.0000 -156.54936 -151.15662 5.39274 2.15827 -151.67837 584.61745
5300.0000 -156.73275 -151.79166 4.94109 2.15138 -151.78740 546.73898
5305.0000 -156.70311 -151.45996 5.24315 2.15442 -151.73934 556.40191
5310.0000 -156.02032 -151.32547 4.69485 2.15714 -151.69622 579.20481
5315.0000 -155.74394 -150.33963 5.40431 2.20044 -151.01061 609.50576
5320.0000 -156.02103 -150.91533 5.10570 2.20444 -150.94729 598.45454
5325.0000 -156.18575 -151.45176 4.73399 2.15893 -151.66790 614.45131
5330.0000 -157.82230 -152.55856 5.26373 2.13892 -151.98470 605.88762
5335.0000 -157.36293 -153.11917 4.24376 2.09692 -152.64970 562.52240
5340.0000 -157.32028 -152.78922 4.53107 2.08315 -152.86770 562.30219
5345.0000 -157.41837 -152.28453 5.13384 2.10757 -152.48111 553.51929
5350.0000 -157.68330 -152.66811 5.01519 2.10767 -152.47955 537.87465
5355.0000 -156.84243 -152.20326 4.63917 2.13665 -152.02071 582.32816
5360.0000 -156.63342 -152.72957 3.90385 2.13589 -152.03264 565.83770
5365.0000 -156.26144 -151.09229 5.16915 2.16627 -151.55171 589.08962
5370.0000 -155.68383 -151.90068 3.78316 2.15544 -151.72318 589.86956
5375.0000 -156.09077 -151.85777 4.23299 2.12606 -152.18839 556.04550
5380.0000 -156.78220 -151.65688 5.12532 2.16738 -151.53415 589.61354
5385.0000 -156.55302 -152.38998 4.16305 2.11781 -152.31896 548.62050
5390.0000 -156.89715 -152.06511 4.83204 2.12098 -152.26868 554.65727
5395.0000 -156.04622 -151.97814 4.06809 2.15121 -151.79004 582.97639
5400.0000 -157.50701 -152.35660 5.15042 2.10975 -152.44657 549.57467
5405.0000 -157.65235 -152.47812 5.17423 2.12010 -152.28273 565.57893
5410.0000 -155.99153 -152.02856 3.96297 2.12986 -152.12819 555.47792
5415.0000 -156.61492 -151.95199 4.66293 2.12993 -152.12700 551.73392
5420.0000 -156.69711 -152.44851 4.24860 2.14740 -151.85051 557.99177
5425.0000 -156.41887 -151.55163 4.86724 2.16679 -151.54341 595.88869
5430.0000 -156.43344 -150.89575 5.53770 2.19019 -151.17291 599.01632
5435.0000 -155.88672 -150.63531 5.25140 2.22448 -150.63002 638.71528
5440.0000 -156.49246 -151.67969 4.81277 2.20758 -150.89764 610.50745
5445.0000 -155.90113 -152.00405 3.89708 2.15386 -151.74813 590.90397
5450.0000 -155.73881 -151.01522 4.72359 2.17480 -151.41667 585.85076
5455.0000 -156.25354 -151.18762 5.06593 2.18429 -151.26640 596.01258
5460.0000 -155.97417 -151.42141 4.55276 2.18559 -151.24571 613.29870
5465.0000 -156.92888 -152.57254 4.35634 2.13914 -151.98125 576.26640
5470.0000 -157.26173 -152.72404 4.53769 2.09414 -152.69372 535.34379
5475.0000 -157.92269 -152.69058 5.23211 2.10202 -152.56892 539.78875
5480.0000 -155.61377 -150.90236 4.71140 2.14066 -151.95721 568.18779
5485.0000 -156.58665 -151.99860 4.58805 2.17333 -151.43983 608.03010
5490.0000 -157.00222 -152.63320 4.36902 2.12973 -152.13026 571.00162
5495.0000 -156.44392 -151.15931 5.28461 2.14640 -151.86635 576.87043
5500.0000 -156.64466 -151.18876 5.45590 2.20400 -150.95425 639.94485
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) 0.92801 -1.76922 0.48223
force_rgl> df(natom) 1.43773 -0.60381 3.32571
5505.0000 -156.94554 -152.43839 4.50716 2.15487 -151.73210 612.13591
5510.0000 -156.88744 -153.33476 3.55267 2.09116 -152.74094 553.20465
5515.0000 -156.46616 -151.72944 4.73673 2.10939 -152.45227 542.39078
5520.0000 -156.40689 -151.85337 4.55351 2.20060 -151.00819 597.85867
5525.0000 -156.90035 -152.50451 4.39584 2.16041 -151.64439 574.37685
5530.0000 -156.38004 -151.88647 4.49357 2.14022 -151.96407 563.89240
5535.0000 -157.15181 -152.62418 4.52763 2.13253 -152.08594 565.38961
5540.0000 -156.87384 -152.31754 4.55630 2.12641 -152.18275 544.67116
5545.0000 -157.25937 -152.79963 4.45974 2.09095 -152.74417 528.33564
5550.0000 -157.01666 -152.81863 4.19803 2.09890 -152.61827 533.25730
5555.0000 -157.36701 -152.87158 4.49543 2.11019 -152.43957 538.24032
5560.0000 -157.46605 -153.64883 3.81722 2.06106 -153.21750 511.42582
5565.0000 -157.30420 -152.82407 4.48013 2.07059 -153.06662 512.96487
5570.0000 -157.01154 -152.38452 4.62702 2.07107 -153.05898 516.68014
5575.0000 -156.58322 -152.10662 4.47660 2.09521 -152.67676 541.14148
5580.0000 -156.67161 -152.63744 4.03417 2.11664 -152.33752 552.89221
5585.0000 -156.91194 -151.86352 5.04842 2.14978 -151.81269 577.83908
5590.0000 -156.00124 -151.66493 4.33631 2.16763 -151.53015 573.01387
5595.0000 -157.06763 -152.35979 4.70784 2.14370 -151.90901 570.16913
5600.0000 -156.58063 -152.21416 4.36647 2.13002 -152.12555 564.70527
5605.0000 -156.37178 -152.22847 4.14331 2.11257 -152.40189 543.87892
5610.0000 -156.36870 -151.87435 4.49435 2.08969 -152.76408 531.92067
5615.0000 -157.93831 -153.39093 4.54738 2.10032 -152.59583 558.86214
5620.0000 -156.68507 -151.88273 4.80235 2.12328 -152.23231 589.96994
5625.0000 -156.95634 -152.56732 4.38902 2.10660 -152.49641 564.66543
5630.0000 -157.57606 -153.41876 4.15730 2.07821 -152.94593 560.24714
5635.0000 -157.29957 -152.19860 5.10098 2.06278 -153.19028 535.66709
5640.0000 -156.75695 -151.32483 5.43212 2.12887 -152.14384 551.79006
5645.0000 -157.05348 -152.37129 4.68219 2.12026 -152.28013 549.92863
5650.0000 -156.55950 -152.15444 4.40506 2.13980 -151.97072 586.45122
5655.0000 -156.78058 -152.16454 4.61603 2.13287 -152.08047 548.93350
5660.0000 -155.25918 -150.60276 4.65642 2.15928 -151.66229 552.67689
5665.0000 -157.02066 -152.48494 4.53572 2.16887 -151.51052 595.99065
5670.0000 -155.83603 -151.78998 4.04605 2.14133 -151.94654 568.07925
5675.0000 -156.52217 -152.67556 3.84661 2.13365 -152.06818 555.96945
5680.0000 -156.85228 -152.05474 4.79754 2.11627 -152.34338 553.51582
5685.0000 -157.23361 -152.45885 4.77476 2.15899 -151.66701 590.80433
5690.0000 -156.62519 -151.41652 5.20867 2.12764 -152.16337 571.54582
5695.0000 -156.74643 -151.80283 4.94360 2.17384 -151.43185 619.45867
5700.0000 -157.11188 -152.49779 4.61409 2.12837 -152.15180 573.60855
5705.0000 -157.47882 -152.52732 4.95150 2.08600 -152.82255 541.27974
5710.0000 -157.77014 -153.16724 4.60290 2.06551 -153.14696 548.45648
5715.0000 -157.45268 -152.54037 4.91231 2.09121 -152.74005 555.45971
5720.0000 -158.21429 -153.58030 4.63399 2.08319 -152.86702 545.25143
5725.0000 -157.91573 -153.29432 4.62141 2.02827 -153.73659 505.30630
5730.0000 -156.49678 -152.39013 4.10665 2.09384 -152.69841 554.69765
5735.0000 -156.05309 -151.47484 4.57824 2.12448 -152.21330 541.14243
5740.0000 -156.20311 -151.85178 4.35132 2.14658 -151.86349 575.69190
5745.0000 -155.87845 -152.16063 3.71782 2.15246 -151.77025 554.19601
5750.0000 -157.50129 -152.49839 5.00290 2.08273 -152.87429 512.21407
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) 4.62002 3.71627 -3.45511
force_rgl> df(natom) 0.76131 -1.53950 -2.78383
5755.0000 -157.23914 -152.94424 4.29490 2.04471 -153.47635 493.59154
5760.0000 -157.08249 -152.65929 4.42320 2.09536 -152.67446 521.55115
5765.0000 -156.63855 -152.46632 4.17223 2.08939 -152.76894 541.86762
5770.0000 -157.76012 -152.95523 4.80489 2.09548 -152.67242 538.39791
5775.0000 -157.52072 -153.95584 3.56489 2.03975 -153.55479 506.93481
5780.0000 -156.95911 -152.75028 4.20883 2.04983 -153.39522 495.36585
5785.0000 -157.72845 -152.54689 5.18155 2.10456 -152.52878 548.46693
5790.0000 -156.75186 -152.89599 3.85588 2.08581 -152.82565 506.80144
5795.0000 -156.56083 -152.37813 4.18270 2.06471 -153.15969 507.04352
5800.0000 -157.17035 -153.45831 3.71204 2.09555 -152.67131 550.89519
5805.0000 -157.66997 -153.05377 4.61621 2.03145 -153.68624 497.14399
5810.0000 -157.33114 -152.77820 4.55294 2.08693 -152.80793 546.32637
5815.0000 -157.12626 -152.78105 4.34521 2.06807 -153.10648 537.37167
5820.0000 -156.50011 -151.73273 4.76738 2.14233 -151.93068 591.85541
5825.0000 -158.21759 -153.02497 5.19262 2.09674 -152.65260 555.65016
5830.0000 -157.19880 -153.64654 3.55225 2.07228 -153.03982 522.66669
5835.0000 -157.60098 -153.31283 4.28816 2.05003 -153.39210 523.99325
5840.0000 -158.42206 -153.72871 4.69334 2.01755 -153.90627 502.58580
5845.0000 -157.54975 -153.56657 3.98318 2.03588 -153.61620 522.44356
5850.0000 -157.70081 -153.53490 4.16590 2.05701 -153.28165 527.51953
5855.0000 -158.50721 -153.92632 4.58089 2.04854 -153.41575 525.00606
5860.0000 -157.57057 -153.78097 3.78960 2.04370 -153.49228 493.76230
5865.0000 -158.58210 -153.97103 4.61106 2.02024 -153.86382 507.23224
5870.0000 -158.21305 -154.25084 3.96220 2.02725 -153.75277 487.47765
5875.0000 -157.66150 -153.84606 3.81543 2.01491 -153.94818 489.13988
5880.0000 -157.40833 -153.22412 4.18421 2.03887 -153.56878 519.80137
5885.0000 -157.76786 -153.66695 4.10091 2.03634 -153.60890 513.07677
5890.0000 -157.09641 -153.48837 3.60804 2.04864 -153.41409 494.24381
5895.0000 -157.49482 -152.90930 4.58553 2.06671 -153.12793 509.55611
5900.0000 -157.41949 -152.75119 4.66830 2.07885 -152.93576 526.55868
5905.0000 -156.74776 -152.11883 4.62894 2.12217 -152.24998 540.37606
5910.0000 -156.92296 -152.98173 3.94123 2.09221 -152.72422 534.68421
5915.0000 -156.90945 -152.64010 4.26935 2.09896 -152.61745 552.59778
5920.0000 -156.81238 -152.43736 4.37502 2.10086 -152.58735 547.67701
5925.0000 -157.67376 -153.28917 4.38459 2.08611 -152.82087 521.52458
5930.0000 -157.00687 -151.97636 5.03050 2.13614 -152.02879 576.52361
5935.0000 -156.73585 -152.62950 4.10635 2.09499 -152.68021 530.80698
5940.0000 -157.04559 -152.97131 4.07427 2.11163 -152.41686 562.73595
5945.0000 -157.16464 -152.82422 4.34043 2.10528 -152.51732 553.22249
5950.0000 -158.32173 -153.87819 4.44355 2.04941 -153.40189 543.84895
5955.0000 -158.74227 -153.46420 5.27807 2.03724 -153.59454 521.82192
5960.0000 -156.98979 -152.44820 4.54158 2.05137 -153.37080 536.58587
5965.0000 -157.57461 -153.39176 4.18285 2.08193 -152.88704 537.60072
5970.0000 -157.29824 -154.00005 3.29819 2.03949 -153.55891 508.54711
5975.0000 -157.31480 -152.74118 4.57362 2.04960 -153.39882 509.78931
5980.0000 -156.75952 -152.60727 4.15225 2.09204 -152.72700 533.59508
5985.0000 -156.86771 -152.41098 4.45673 2.11188 -152.41289 556.10578
5990.0000 -156.26559 -151.74932 4.51627 2.08101 -152.90153 510.10711
5995.0000 -157.01221 -152.77354 4.23867 2.14530 -151.88370 568.32269
6000.0000 -156.24316 -151.69045 4.55272 2.11830 -152.31112 566.33461
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) 4.12828 2.48036 -4.48232
force_rgl> df(natom) 3.45657 -3.04114 -2.49543
6005.0000 -156.46862 -151.95898 4.50964 2.15072 -151.79784 552.31113
6010.0000 -156.75341 -152.28602 4.46739 2.10468 -152.52685 533.37307
6015.0000 -157.35182 -153.03320 4.31862 2.11404 -152.37857 554.57758
6020.0000 -157.89937 -153.28655 4.61281 2.07129 -153.05552 543.40750
6025.0000 -158.96422 -154.55890 4.40533 2.03689 -153.60019 523.92436
6030.0000 -157.84446 -154.09840 3.74606 2.00360 -154.12714 509.65194
6035.0000 -159.04566 -155.41210 3.63356 1.98797 -154.37463 504.99058
6040.0000 -158.66079 -154.42252 4.23827 1.96114 -154.79949 486.22458
6045.0000 -158.82498 -155.46848 3.35650 1.97761 -154.53870 496.11199
6050.0000 -158.65891 -155.09079 3.56813 1.96809 -154.68937 489.82710
6055.0000 -159.06006 -154.41127 4.64879 1.96126 -154.79761 468.99609
6060.0000 -157.28873 -153.54102 3.74771 2.00157 -154.15929 522.57442
6065.0000 -157.97007 -152.63398 5.33609 2.04774 -153.42836 558.85527
6070.0000 -157.96132 -154.18611 3.77521 2.04166 -153.52464 540.35475
6075.0000 -157.88491 -154.13703 3.74788 1.98773 -154.37843 509.94358
6080.0000 -158.77150 -154.49787 4.27363 2.00380 -154.12407 533.84598
6085.0000 -158.82016 -154.82555 3.99461 1.94554 -155.04641 481.84406
6090.0000 -158.56914 -154.21859 4.35055 1.93892 -155.15121 467.11851
6095.0000 -157.96252 -154.24216 3.72036 1.99580 -154.25064 508.82584
6100.0000 -158.17001 -154.32846 3.84155 1.98940 -154.35196 484.50463
6105.0000 -156.67696 -152.21128 4.46569 2.04130 -153.53031 514.78273
6110.0000 -157.56424 -153.14483 4.41941 2.08317 -152.86745 563.74719
6115.0000 -159.00514 -153.89773 5.10742 2.05346 -153.33774 551.33655
6120.0000 -158.75440 -154.75481 3.99959 1.98935 -154.35290 493.38386
6125.0000 -158.64685 -153.59060 5.05626 2.01121 -154.00676 505.60785
6130.0000 -157.93032 -154.39203 3.53828 2.00177 -154.15624 495.61356
6135.0000 -158.42190 -154.81229 3.60961 1.97451 -154.58776 470.75569
6140.0000 -158.64798 -154.17786 4.47013 2.00758 -154.06418 496.91827
6145.0000 -157.03776 -152.95744 4.08032 2.03555 -153.62141 518.52733
6150.0000 -157.45046 -153.20753 4.24292 2.06988 -153.07777 524.29357
6155.0000 -158.24793 -153.15785 5.09009 2.05332 -153.34005 529.75969
6160.0000 -158.00833 -153.73527 4.27305 2.03976 -153.55462 508.84622
6165.0000 -157.11720 -153.37850 3.73870 2.02913 -153.72306 499.20008
6170.0000 -157.26327 -153.50341 3.75986 2.05484 -153.31598 500.19115
6175.0000 -157.64855 -152.56632 5.08224 2.05533 -153.30824 517.13946
6180.0000 -157.83838 -153.79289 4.04550 2.05169 -153.36576 513.00553
6185.0000 -157.83504 -153.98216 3.85289 2.02800 -153.74096 499.17675
6190.0000 -158.53700 -154.05024 4.48676 2.00399 -154.12098 465.00983
6195.0000 -158.76830 -154.94352 3.82478 1.97297 -154.61211 483.89096
6200.0000 -158.16369 -154.28563 3.87806 1.94122 -155.11482 456.75989
6205.0000 -157.12336 -152.61166 4.51170 2.02128 -153.84729 515.99345
6210.0000 -157.53387 -153.69038 3.84349 2.09499 -152.68029 570.42526
6215.0000 -157.71582 -153.28106 4.43476 2.02291 -153.82147 508.78325
6220.0000 -158.21496 -153.70092 4.51405 2.02487 -153.79049 497.32992
6225.0000 -158.13057 -154.71184 3.41873 1.98998 -154.34280 469.94911
6230.0000 -158.43456 -154.64857 3.78599 1.98274 -154.45748 469.93944
6235.0000 -157.45852 -153.82071 3.63781 2.02580 -153.77577 506.14988
6240.0000 -157.59184 -153.59478 3.99707 2.02286 -153.82222 504.43103
6245.0000 -157.34909 -153.09177 4.25732 2.06968 -153.08102 518.22313
6250.0000 -157.45202 -152.89973 4.55229 2.07095 -153.06087 517.17052
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) -0.34617 -1.86390 -3.41629
force_rgl> df(natom) -1.43195 0.90097 1.75048
6255.0000 -158.37356 -154.00868 4.36488 2.04257 -153.51013 529.30829
6260.0000 -158.32128 -154.12421 4.19708 2.01298 -153.97862 509.52993
6265.0000 -158.61485 -154.61875 3.99609 2.00558 -154.09579 530.48619
6270.0000 -159.33010 -154.93791 4.39219 1.94674 -155.02750 471.34389
6275.0000 -158.14775 -154.30421 3.84354 1.95820 -154.84604 471.72377
6280.0000 -158.91642 -155.23586 3.68056 1.96365 -154.75970 490.86594
6285.0000 -159.03339 -154.29870 4.73470 1.96272 -154.77440 491.85353
6290.0000 -159.53266 -155.93745 3.59521 1.94627 -155.03493 484.39160
6295.0000 -158.92637 -155.34929 3.57708 1.91290 -155.56321 454.46744
6300.0000 -159.57128 -155.64865 3.92263 1.90581 -155.67549 445.91288
6305.0000 -158.89016 -154.66448 4.22568 1.96118 -154.79877 478.09977
6310.0000 -159.11991 -156.01576 3.10415 1.92557 -155.36263 446.27210
6315.0000 -159.22904 -155.90634 3.32270 1.88171 -156.05703 417.51348
6320.0000 -159.77421 -155.73820 4.03602 1.89738 -155.80905 432.03409
6325.0000 -158.51244 -154.03344 4.47901 1.97239 -154.62132 486.37598
6330.0000 -158.97137 -155.40314 3.56822 1.95875 -154.83736 462.06790
6335.0000 -158.74216 -155.06629 3.67587 1.91062 -155.59933 418.29890
6340.0000 -158.54350 -155.16071 3.38280 1.92582 -155.35871 437.76910
6345.0000 -158.76688 -154.68669 4.08020 1.95421 -154.90927 459.18037
6350.0000 -159.34129 -154.95745 4.38384 1.96082 -154.80457 464.35493
6355.0000 -158.93139 -154.93263 3.99876 1.93450 -155.22119 449.25041
6360.0000 -159.03014 -155.45498 3.57515 1.89951 -155.77523 426.15976
6365.0000 -159.24591 -155.70046 3.54545 1.91401 -155.54571 435.01414
6370.0000 -157.84236 -154.08096 3.76139 1.95293 -154.92952 464.42808
6375.0000 -157.81393 -154.32214 3.49179 1.97547 -154.57256 487.31975
6380.0000 -159.12005 -154.48973 4.63032 1.97564 -154.56982 492.80653
6385.0000 -158.21625 -154.22684 3.98941 1.96736 -154.70099 481.59334
6390.0000 -157.96571 -154.19884 3.76687 2.00373 -154.12514 500.77544
6395.0000 -158.62047 -155.20749 3.41298 1.96541 -154.73187 450.74736
6400.0000 -158.82084 -155.23569 3.58515 1.93485 -155.21567 434.63092
6405.0000 -159.32748 -155.97380 3.35368 1.93286 -155.24726 428.20994
6410.0000 -159.20083 -155.20226 3.99857 1.92718 -155.33715 426.30612
6415.0000 -159.31835 -155.67096 3.64738 1.90971 -155.61375 418.11504
6420.0000 -158.40479 -154.34119 4.06360 1.97146 -154.63613 485.89562
6425.0000 -158.64425 -154.46830 4.17595 1.99207 -154.30978 496.91509
6430.0000 -159.38653 -155.24072 4.14581 1.94557 -155.04601 467.57585
6435.0000 -158.26183 -154.52494 3.73689 1.96173 -154.79016 472.09480
6440.0000 -158.53301 -155.22984 3.30318 1.96151 -154.79365 464.52404
6445.0000 -159.28906 -155.80165 3.48740 1.91017 -155.60646 428.86601
6450.0000 -158.87212 -155.38188 3.49023 1.93277 -155.24865 460.83928
6455.0000 -159.18812 -154.99994 4.18818 1.94699 -155.02354 472.69470
6460.0000 -158.03198 -154.05496 3.97702 1.97340 -154.60537 480.05193
6465.0000 -157.69243 -154.15985 3.53258 2.01205 -153.99344 480.38625
6470.0000 -158.20077 -153.80607 4.39470 2.01051 -154.01776 480.00063
6475.0000 -157.84480 -153.72679 4.11802 2.03679 -153.60178 515.89224
6480.0000 -158.29287 -154.37044 3.92244 2.00671 -154.07790 510.26020
6485.0000 -158.28458 -154.10497 4.17962 1.96807 -154.68976 472.57628
6490.0000 -157.92433 -153.59438 4.32995 2.03744 -153.59139 530.73238
6495.0000 -158.01689 -153.19823 4.81865 2.02694 -153.75760 525.05668
6500.0000 -157.97842 -153.88280 4.09561 2.03219 -153.67453 525.03669
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) -4.46399 -0.68788 1.05513
force_rgl> df(natom) 1.88993 -0.36978 1.12524
6505.0000 -158.05805 -154.24175 3.81629 1.99537 -154.25746 498.41004
6510.0000 -159.08310 -155.10714 3.97596 1.94990 -154.97751 467.94265
6515.0000 -158.10206 -154.79251 3.30955 1.94699 -155.02355 469.39122
6520.0000 -158.68448 -154.42783 4.25665 1.96326 -154.76586 471.68283
6525.0000 -158.80014 -155.40626 3.39388 1.95777 -154.85290 467.09372
6530.0000 -158.74005 -155.35877 3.38128 1.90818 -155.63793 418.63242
6535.0000 -158.96601 -155.21720 3.74881 1.91876 -155.47047 434.86390
6540.0000 -159.87918 -155.80516 4.07402 1.92963 -155.29834 447.85804
6545.0000 -159.40770 -155.72318 3.68452 1.91273 -155.56602 439.48196
6550.0000 -158.98151 -155.89092 3.09058 1.90042 -155.76086 419.09717
6555.0000 -158.76372 -155.48229 3.28143 1.88366 -156.02619 404.55362
6560.0000 -159.01652 -155.55417 3.46235 1.92615 -155.35345 438.24432
6565.0000 -159.22180 -155.84597 3.37583 1.90633 -155.66730 440.94656
6570.0000 -158.97547 -155.51433 3.46113 1.91250 -155.56959 449.42730
6575.0000 -158.16683 -154.52564 3.64118 1.93273 -155.24923 464.60796
6580.0000 -159.05400 -154.97018 4.08381 1.96915 -154.67267 495.02482
6585.0000 -159.65801 -155.37763 4.28038 1.92873 -155.31258 468.09445
6590.0000 -159.40305 -155.71746 3.68559 1.88969 -155.93077 431.18344
6595.0000 -159.25229 -154.93604 4.31625 1.92560 -155.36217 447.13782
6600.0000 -159.33329 -155.49679 3.83650 1.90941 -155.61850 434.80368
6605.0000 -158.58761 -154.32798 4.25963 1.94128 -155.11390 464.85918
6610.0000 -158.93092 -155.34193 3.58900 1.95601 -154.88069 480.29741
6615.0000 -159.58111 -156.40945 3.17167 1.89138 -155.90399 423.12464
6620.0000 -158.91265 -155.50239 3.41026 1.88869 -155.94662 425.28526
6625.0000 -159.32843 -155.72692 3.60151 1.93634 -155.19220 469.45358
6630.0000 -159.31664 -155.80799 3.50865 1.94800 -155.00749 479.81839
6635.0000 -158.41163 -155.05185 3.35977 1.92786 -155.32637 452.18973
6640.0000 -158.42777 -153.66665 4.76112 1.98935 -154.35279 485.27646
6645.0000 -157.36763 -153.57768 3.78995 2.04708 -153.43879 526.81082
6650.0000 -157.55317 -154.19762 3.35555 1.98160 -154.47546 457.24531
6655.0000 -158.64961 -154.14217 4.50743 1.98327 -154.44909 479.77295
6660.0000 -158.04481 -154.23128 3.81353 1.98195 -154.46998 483.23907
6665.0000 -158.42723 -154.43420 3.99302 1.95294 -154.92930 463.07342
6670.0000 -158.70446 -154.54914 4.15532 1.98024 -154.49712 484.10693
6675.0000 -159.23326 -155.28234 3.95092 1.95403 -154.91205 478.20438
6680.0000 -159.32942 -155.29843 4.03099 1.92939 -155.30213 462.90813
6685.0000 -159.27804 -156.12669 3.15135 1.91150 -155.58544 441.04396
6690.0000 -159.24262 -155.02396 4.21866 1.89567 -155.83601 421.22894
6695.0000 -158.34174 -154.89466 3.44708 1.94108 -155.11708 459.51757
6700.0000 -159.71992 -155.80330 3.91662 1.93523 -155.20978 465.31228
6705.0000 -158.19919 -154.66560 3.53359 1.94909 -154.99029 463.67869
6710.0000 -159.03904 -154.85228 4.18677 1.98204 -154.46855 492.12045
6715.0000 -159.07228 -155.61139 3.46089 1.92427 -155.38320 440.00786
6720.0000 -159.33688 -155.88151 3.45537 1.89610 -155.82928 407.68975
6725.0000 -158.66118 -155.30960 3.35158 1.89321 -155.87496 406.55135
6730.0000 -158.79961 -154.61229 4.18731 1.95162 -154.95027 464.54346
6735.0000 -159.06100 -155.54804 3.51296 1.94369 -155.07580 475.88437
6740.0000 -159.75668 -155.79579 3.96090 1.91980 -155.45404 460.02715
6745.0000 -159.34048 -155.90185 3.43863 1.89672 -155.81935 435.46618
6750.0000 -159.25335 -155.80758 3.44576 1.90774 -155.64499 435.77065
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) 1.45407 -0.75933 3.47967
force_rgl> df(natom) 1.24897 -1.64049 -1.73674
6755.0000 -159.65648 -156.38780 3.26868 1.88171 -156.05712 416.13908
6760.0000 -159.20075 -155.83549 3.36527 1.89933 -155.77810 434.12915
6765.0000 -159.57572 -155.92416 3.65156 1.87762 -156.12185 407.94522
6770.0000 -159.24722 -156.13786 3.10936 1.88731 -155.96834 418.25032
6775.0000 -159.25288 -156.00003 3.25286 1.87357 -156.18603 413.95837
6780.0000 -159.93437 -156.55605 3.37833 1.83680 -156.76820 375.31053
6785.0000 -159.71992 -155.97555 3.74437 1.85204 -156.52686 386.10040
6790.0000 -159.60706 -156.03393 3.57313 1.87488 -156.16516 413.28508
6795.0000 -159.03147 -155.74369 3.28778 1.89475 -155.85055 454.13282
6800.0000 -159.65118 -155.42495 4.22623 1.91933 -155.46142 469.05569
6805.0000 -159.33316 -155.67530 3.65785 1.92947 -155.30095 467.63846
6810.0000 -159.97587 -156.44948 3.52639 1.86442 -156.33081 406.98373
6815.0000 -159.56197 -155.93484 3.62713 1.88644 -155.98226 431.14448
6820.0000 -159.14721 -155.64660 3.50061 1.87622 -156.14398 427.61964
6825.0000 -159.49069 -155.15063 4.34007 1.91154 -155.58480 458.11033
6830.0000 -159.66264 -155.53688 4.12577 1.92704 -155.33945 468.48228
6835.0000 -159.60027 -155.48623 4.11403 1.92807 -155.32309 473.45798
6840.0000 -159.21434 -155.74762 3.46672 1.89094 -155.91093 441.66298
6845.0000 -159.68987 -156.30890 3.38097 1.89450 -155.85452 443.03205
6850.0000 -159.14322 -156.23112 2.91211 1.88380 -156.02399 434.00668
6855.0000 -160.22195 -157.36628 2.85567 1.81872 -157.05433 381.70939
6860.0000 -159.76331 -156.66611 3.09721 1.84278 -156.67348 400.67465
6865.0000 -159.19130 -155.60223 3.58906 1.87565 -156.15297 423.53757
6870.0000 -159.60914 -156.08030 3.52883 1.90885 -155.62737 456.71117
6875.0000 -159.68533 -156.23894 3.44639 1.88178 -156.05597 433.02875
6880.0000 -159.51317 -155.20560 4.30757 1.91690 -155.49997 456.34918
6885.0000 -159.66788 -155.87366 3.79423 1.90116 -155.74914 451.01487
6890.0000 -159.42197 -155.67887 3.74310 1.88937 -155.93582 438.52309
6895.0000 -159.32125 -155.88699 3.43426 1.89063 -155.91589 433.50452
6900.0000 -159.00266 -155.04221 3.96045 1.92114 -155.43283 461.24447
6905.0000 -159.19001 -155.33114 3.85887 1.91494 -155.53095 464.28525
6910.0000 -159.62268 -155.96586 3.65682 1.95235 -154.93861 495.40775
6915.0000 -159.30817 -155.68675 3.62141 1.87919 -156.09694 437.88674
6920.0000 -159.34863 -156.09144 3.25720 1.90629 -155.66783 445.29770
6925.0000 -159.44598 -156.10153 3.34445 1.87524 -156.15949 416.29696
6930.0000 -159.78667 -156.15017 3.63649 1.89651 -155.82271 444.44420
6935.0000 -159.94493 -156.01772 3.92721 1.88442 -156.01410 435.75650
6940.0000 -159.66383 -156.02835 3.63548 1.88108 -156.06711 432.89441
6945.0000 -159.78243 -156.43326 3.34917 1.87313 -156.19287 422.61061
6950.0000 -159.74150 -155.89525 3.84625 1.88712 -155.97141 435.63410
6955.0000 -159.53354 -156.48957 3.04397 1.88189 -156.05422 432.26704
6960.0000 -159.43533 -156.11163 3.32370 1.87387 -156.18122 428.00618
6965.0000 -159.86117 -156.45049 3.41068 1.86576 -156.30964 414.74386
6970.0000 -160.07821 -156.38166 3.69655 1.86780 -156.27734 418.41170
6975.0000 -160.10348 -156.69868 3.40480 1.84790 -156.59246 399.44424
6980.0000 -159.60941 -155.92257 3.68684 1.87356 -156.18617 417.62097
6985.0000 -159.93005 -156.49255 3.43750 1.88519 -156.00200 421.48760
6990.0000 -160.06177 -156.04309 4.01868 1.86773 -156.27850 404.13244
6995.0000 -158.78249 -155.34572 3.43678 1.90150 -155.74377 430.12455
7000.0000 -159.22718 -155.71617 3.51101 1.93068 -155.28181 452.69702
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) 1.59012 2.03894 -1.00800
force_rgl> df(natom) 0.05339 -0.97454 -0.26298
7005.0000 -159.48597 -157.18042 2.30555 1.84048 -156.70980 376.06437
7010.0000 -159.70536 -156.75544 2.94992 1.84240 -156.67948 374.63069
7015.0000 -160.33288 -157.28360 3.04928 1.82809 -156.90611 370.47469
7020.0000 -159.46580 -156.45198 3.01383 1.83383 -156.81508 390.70796
7025.0000 -159.61297 -155.51775 4.09523 1.87422 -156.17569 428.71567
7030.0000 -158.43609 -154.76835 3.66775 1.94110 -155.11684 490.08407
7035.0000 -159.81047 -156.05496 3.75551 1.93384 -155.23178 462.73529
7040.0000 -159.72615 -156.67368 3.05247 1.85827 -156.42814 394.54734
7045.0000 -159.61534 -156.65095 2.96439 1.83927 -156.72904 378.73007
7050.0000 -159.36295 -156.32392 3.03903 1.85664 -156.45409 395.19764
7055.0000 -160.27303 -156.83251 3.44052 1.85212 -156.52552 391.36677
7060.0000 -160.03823 -156.77903 3.25920 1.83917 -156.73058 378.46923
7065.0000 -159.19123 -155.00312 4.18811 1.87992 -156.08547 414.27460
7070.0000 -159.69352 -156.55370 3.13982 1.88456 -156.01203 408.34629
7075.0000 -160.08392 -156.74232 3.34160 1.84082 -156.70448 377.90754
7080.0000 -160.03501 -156.60614 3.42887 1.85383 -156.49856 386.20063
7085.0000 -159.21552 -155.78112 3.43441 1.87260 -156.20132 400.72057
7090.0000 -159.61548 -155.67228 3.94319 1.90849 -155.63303 435.64871
7095.0000 -159.58926 -155.93658 3.65268 1.88459 -156.01143 420.80401
7100.0000 -159.67006 -156.43131 3.23874 1.88040 -156.07775 418.67199
7105.0000 -159.62992 -156.23907 3.39084 1.85242 -156.52076 389.75423
7110.0000 -159.71826 -156.08664 3.63162 1.87382 -156.18205 425.90252
7115.0000 -159.70911 -156.29305 3.41606 1.86742 -156.28326 416.01376
7120.0000 -160.20057 -156.78035 3.42022 1.85502 -156.47962 405.95977
7125.0000 -160.02323 -156.81436 3.20887 1.83224 -156.84039 395.82975
7130.0000 -159.40625 -156.39207 3.01418 1.81888 -157.05183 376.19375
7135.0000 -160.58453 -157.42434 3.16019 1.83150 -156.85202 386.66611
7140.0000 -159.43606 -156.70692 2.72914 1.84088 -156.70350 395.97969
7145.0000 -160.00440 -156.30666 3.69774 1.85881 -156.41960 415.77551
7150.0000 -159.68290 -156.31340 3.36951 1.85033 -156.55393 401.61394
7155.0000 -159.77159 -156.61511 3.15648 1.86830 -156.26940 419.18334
7160.0000 -159.78458 -156.27906 3.50552 1.82732 -156.91828 382.56916
7165.0000 -159.77612 -156.73837 3.03775 1.85615 -156.46172 408.88896
7170.0000 -159.54596 -156.45885 3.08711 1.85752 -156.44006 391.44593
7175.0000 -159.90857 -156.36970 3.53888 1.85212 -156.52558 399.35610
7180.0000 -159.09751 -155.85305 3.24446 1.86016 -156.39831 406.25965
7185.0000 -158.74668 -156.26283 2.48385 1.89875 -155.78725 440.22348
7190.0000 -159.30906 -156.15580 3.15326 1.86346 -156.34607 407.49997
7195.0000 -158.64907 -155.11513 3.53394 1.90132 -155.74661 438.46262
7200.0000 -159.56758 -156.09393 3.47365 1.89616 -155.82832 436.95186
7205.0000 -160.45564 -156.15584 4.29980 1.87505 -156.16254 431.68600
7210.0000 -159.57369 -156.15735 3.41634 1.85620 -156.46100 410.39765
7215.0000 -160.43039 -157.68660 2.74379 1.81193 -157.16186 371.64167
7220.0000 -160.22165 -157.42626 2.79539 1.79143 -157.48654 351.89079
7225.0000 -159.79768 -156.69575 3.10193 1.80501 -157.27142 363.61402
7230.0000 -160.09882 -156.96846 3.13036 1.82024 -157.03040 383.41309
7235.0000 -160.68492 -157.15696 3.52795 1.80771 -157.22871 368.87188
7240.0000 -159.60737 -155.94851 3.65886 1.83510 -156.79510 391.12477
7245.0000 -159.77618 -156.46796 3.30823 1.86552 -156.31348 418.43653
7250.0000 -160.45691 -157.59906 2.85785 1.83251 -156.83613 391.69649
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) -2.16284 -2.00285 0.23782
force_rgl> df(natom) 2.06381 -0.49865 0.08305
7255.0000 -160.33789 -157.45669 2.88121 1.75681 -158.03457 323.78681
7260.0000 -159.77072 -157.04492 2.72581 1.83077 -156.86357 389.70504
7265.0000 -160.21500 -157.03593 3.17907 1.80954 -157.19979 365.21141
7270.0000 -159.85343 -156.27510 3.57834 1.82835 -156.90186 385.90759
7275.0000 -159.78218 -156.55470 3.22748 1.85493 -156.48106 416.07641
7280.0000 -160.33978 -156.38328 3.95650 1.83799 -156.74923 393.20974
7285.0000 -160.30335 -157.60123 2.70212 1.81799 -157.06596 381.83042
7290.0000 -160.42765 -157.75821 2.66944 1.77666 -157.72031 345.63465
7295.0000 -160.74280 -157.92961 2.81318 1.77022 -157.82236 335.01577
7300.0000 -160.55139 -157.80927 2.74212 1.78594 -157.57346 351.19755
7305.0000 -160.93583 -157.51227 3.42355 1.77453 -157.75406 339.65401
7310.0000 -159.74663 -156.63996 3.10666 1.82689 -156.92497 387.95671
7315.0000 -160.23859 -157.25840 2.98019 1.82040 -157.02778 378.99020
7320.0000 -159.52339 -156.27033 3.25306 1.84180 -156.68894 401.28786
7325.0000 -159.69384 -156.57319 3.12065 1.86288 -156.35527 414.62035
7330.0000 -160.23724 -156.95753 3.27971 1.83807 -156.74805 396.64664
7335.0000 -159.94924 -156.55857 3.39068 1.82914 -156.88948 386.18451
7340.0000 -159.96482 -157.12762 2.83720 1.83304 -156.82761 387.51625
7345.0000 -159.64559 -155.79185 3.85374 1.84859 -156.58153 399.62297
7350.0000 -160.08818 -157.13478 2.95339 1.85688 -156.45029 410.99229
7355.0000 -159.41257 -156.35388 3.05869 1.83124 -156.85622 385.12320
7360.0000 -159.75850 -156.14985 3.60865 1.84760 -156.59708 380.80826
7365.0000 -159.78479 -156.75622 3.02857 1.86232 -156.36407 416.54938
7370.0000 -160.45855 -156.94870 3.50985 1.83398 -156.81275 391.78964
7375.0000 -160.04798 -156.74299 3.30499 1.81787 -157.06789 379.82136
7380.0000 -160.06062 -156.79203 3.26859 1.84769 -156.59578 405.53541
7385.0000 -159.67269 -156.72709 2.94559 1.84731 -156.60167 397.97358
7390.0000 -160.34649 -157.60274 2.74376 1.84376 -156.65790 396.82199
7395.0000 -160.27684 -157.34610 2.93074 1.81192 -157.16204 371.31049
7400.0000 -159.68878 -156.06895 3.61983 1.83960 -156.72387 385.06130
7405.0000 -160.53015 -157.74225 2.78789 1.82296 -156.98728 377.85085
7410.0000 -160.01913 -156.47229 3.54684 1.81281 -157.14803 371.27403
7415.0000 -160.20984 -156.54494 3.66490 1.85878 -156.42007 412.97202
7420.0000 -160.19826 -157.24474 2.95352 1.82233 -156.99727 385.93760
7425.0000 -159.83044 -156.78449 3.04595 1.83149 -156.85222 392.00239
7430.0000 -159.61243 -156.30666 3.30577 1.85999 -156.40099 415.65293
7435.0000 -160.37288 -156.87196 3.50091 1.84905 -156.57417 408.13342
7440.0000 -159.76305 -156.70587 3.05718 1.86588 -156.30776 420.51160
7445.0000 -159.65079 -156.79777 2.85301 1.86070 -156.38978 413.46799
7450.0000 -160.28858 -157.22621 3.06237 1.81088 -157.17855 371.38259
7455.0000 -159.89613 -156.71449 3.18165 1.82647 -156.93170 384.39921
7460.0000 -159.56621 -156.73108 2.83513 1.83250 -156.83620 389.75332
7465.0000 -159.90173 -157.16763 2.73410 1.83389 -156.81420 393.12109
7470.0000 -159.84858 -156.13432 3.71427 1.83262 -156.83430 374.43656
7475.0000 -159.64415 -156.05240 3.59174 1.90307 -155.71884 440.38948
7480.0000 -159.89155 -156.66127 3.23028 1.86234 -156.36378 418.83942
7485.0000 -160.05948 -157.20641 2.85307 1.81671 -157.08620 376.09624
7490.0000 -160.79720 -157.80278 2.99442 1.80661 -157.24618 371.90342
7495.0000 -160.43714 -157.21845 3.21869 1.81436 -157.12349 375.68568
7500.0000 -159.82729 -156.78403 3.04326 1.81979 -157.03751 375.10578
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) -3.88157 -0.76135 -1.86008
force_rgl> df(natom) 0.98007 -2.40901 -1.93490
7505.0000 -160.58696 -157.34770 3.23927 1.81540 -157.10688 376.66185
7510.0000 -159.30195 -156.72310 2.57885 1.82270 -156.99131 365.05975
7515.0000 -159.86852 -157.29370 2.57482 1.82536 -156.94922 361.38373
7520.0000 -160.16015 -157.11380 3.04635 1.79840 -157.37613 330.38299
7525.0000 -160.19460 -157.14720 3.04740 1.81784 -157.06833 360.18717
7530.0000 -160.34721 -157.65851 2.68870 1.81066 -157.18200 353.10092
7535.0000 -160.74163 -158.06606 2.67558 1.77117 -157.80727 323.38588
7540.0000 -159.98132 -157.65979 2.32153 1.77522 -157.74305 324.91751
7545.0000 -160.35958 -157.61516 2.74442 1.76851 -157.84940 313.64889
7550.0000 -159.83027 -157.52670 2.30357 1.78812 -157.53895 327.20940
7555.0000 -159.75254 -156.79173 2.96081 1.81570 -157.10227 355.56314
7560.0000 -159.79880 -156.88871 2.91009 1.82875 -156.89554 369.84660
7565.0000 -160.33572 -157.30299 3.03273 1.84125 -156.69764 380.06178
7570.0000 -160.04647 -156.74168 3.30479 1.82394 -156.97181 367.55282
7575.0000 -159.52245 -157.18668 2.33577 1.84504 -156.63765 382.69132
7580.0000 -160.40407 -157.61441 2.78966 1.79041 -157.50262 330.30792
7585.0000 -159.80526 -156.67117 3.13409 1.83184 -156.84669 373.95760
7590.0000 -159.53138 -156.66340 2.86797 1.83660 -156.77135 370.61493
7595.0000 -159.84093 -156.99866 2.84227 1.82834 -156.90204 373.62045
7600.0000 -160.46925 -156.86723 3.60202 1.84303 -156.66957 384.00968
7605.0000 -159.51576 -156.69571 2.82005 1.83650 -156.77284 377.13509
7610.0000 -159.80536 -156.99835 2.80701 1.83808 -156.74790 383.83408
7615.0000 -159.95555 -157.25694 2.69861 1.80345 -157.29618 351.84050
7620.0000 -160.32398 -157.68212 2.64185 1.79691 -157.39971 345.79863
7625.0000 -160.42102 -157.74146 2.67955 1.77552 -157.73839 322.21441
7630.0000 -159.71464 -156.72296 2.99168 1.81074 -157.18072 353.29530
7635.0000 -159.85784 -157.13547 2.72236 1.82749 -156.91560 372.12342
7640.0000 -160.12068 -157.38998 2.73071 1.79279 -157.46495 338.38752
7645.0000 -160.70344 -157.89420 2.80924 1.78418 -157.60129 330.75022
7650.0000 -159.76716 -157.16621 2.60095 1.79535 -157.42444 343.22036
7655.0000 -160.00698 -157.42051 2.58647 1.81187 -157.16284 358.58233
7660.0000 -159.81095 -157.30450 2.50646 1.81728 -157.07719 365.01896
7665.0000 -159.78177 -156.72908 3.05270 1.84711 -156.60496 396.55656
7670.0000 -160.32058 -157.22646 3.09412 1.81626 -157.09339 360.43563
7675.0000 -160.43896 -157.59628 2.84268 1.81304 -157.14426 363.55945
7680.0000 -160.01593 -157.18607 2.82986 1.78251 -157.62774 331.48260
7685.0000 -160.21658 -156.77622 3.44037 1.82175 -157.00642 376.48731
7690.0000 -160.14479 -156.83039 3.31439 1.81429 -157.12460 376.27578
7695.0000 -159.97705 -156.82513 3.15192 1.83630 -156.77604 394.45384
7700.0000 -160.12459 -157.41641 2.70818 1.82123 -157.01470 372.34961
7705.0000 -159.72692 -156.89356 2.83336 1.81107 -157.17545 348.76166
7710.0000 -159.91475 -156.90736 3.00739 1.82132 -157.01317 354.35663
7715.0000 -159.82753 -156.77991 3.04762 1.82267 -156.99193 356.06614
7720.0000 -160.52870 -157.56064 2.96806 1.81353 -157.13659 352.31382
7725.0000 -160.45893 -157.63164 2.82728 1.78179 -157.63910 343.58562
7730.0000 -160.61060 -157.61333 2.99727 1.76934 -157.83620 337.06395
7735.0000 -160.92932 -158.27202 2.65731 1.77139 -157.80375 335.63692
7740.0000 -160.07814 -157.66266 2.41548 1.75950 -157.99199 325.45204
7745.0000 -160.51086 -157.49166 3.01920 1.77094 -157.81094 336.08820
7750.0000 -160.13577 -156.80289 3.33288 1.81009 -157.19111 370.11516
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) 1.18535 0.21393 -1.14134
force_rgl> df(natom) 0.67779 2.89194 -2.25869
7755.0000 -160.61489 -157.69279 2.92210 1.81371 -157.13378 381.64561
7760.0000 -160.64926 -157.36297 3.28629 1.80938 -157.20226 366.06377
7765.0000 -160.50790 -157.79930 2.70859 1.77010 -157.82425 335.74046
7770.0000 -160.51668 -157.43286 3.08382 1.76899 -157.84181 335.29153
7775.0000 -160.41219 -157.20948 3.20272 1.82010 -157.03259 371.14755
7780.0000 -160.59169 -157.76548 2.82620 1.78457 -157.59503 351.09944
7785.0000 -160.87570 -158.15637 2.71933 1.77062 -157.81598 337.27671
7790.0000 -161.05052 -157.31629 3.73422 1.76485 -157.90739 327.77998
7795.0000 -159.97983 -157.57694 2.40289 1.77751 -157.70681 341.94729
7800.0000 -160.32484 -157.88131 2.44353 1.77801 -157.69896 336.13069
7805.0000 -160.40977 -157.85058 2.55919 1.76482 -157.90776 328.17844
7810.0000 -160.21117 -157.25432 2.95685 1.78298 -157.62023 340.99756
7815.0000 -160.16941 -157.77055 2.39886 1.76680 -157.87636 331.89535
7820.0000 -160.49525 -158.17250 2.32275 1.75823 -158.01214 319.66247
7825.0000 -160.91631 -158.50612 2.41019 1.72328 -158.56546 291.12144
7830.0000 -159.83138 -157.65283 2.17854 1.72658 -158.51324 291.77476
7835.0000 -160.62307 -157.52913 3.09394 1.78696 -157.55724 348.23555
7840.0000 -160.54186 -157.57751 2.96435 1.79832 -157.37732 361.12603
7845.0000 -160.77020 -157.91200 2.85820 1.75882 -158.00285 320.35273
7850.0000 -160.17116 -157.31794 2.85321 1.78790 -157.54229 344.01398
7855.0000 -160.60593 -157.75619 2.84974 1.78625 -157.56856 345.30835
7860.0000 -160.57493 -157.75222 2.82272 1.76787 -157.85944 332.58719
7865.0000 -161.11102 -158.26886 2.84216 1.75336 -158.08916 317.81289
7870.0000 -160.47631 -158.08257 2.39374 1.74423 -158.23376 310.97626
7875.0000 -161.08730 -158.37223 2.71507 1.74138 -158.27891 309.65930
7880.0000 -160.50906 -157.84851 2.66055 1.75034 -158.13698 312.85222
7885.0000 -160.83823 -158.44356 2.39467 1.74395 -158.23817 308.64946
7890.0000 -160.73459 -158.18312 2.55147 1.74849 -158.16635 314.88212
7895.0000 -160.64469 -158.14195 2.50274 1.74171 -158.27370 310.23569
7900.0000 -160.86150 -158.47848 2.38302 1.73817 -158.32972 298.03297
7905.0000 -160.23485 -157.67145 2.56340 1.74222 -158.26566 301.39131
7910.0000 -160.00347 -157.67459 2.32888 1.77424 -157.75858 330.84655
7915.0000 -160.83920 -158.26713 2.57207 1.76531 -157.90004 330.70896
7920.0000 -160.95054 -157.88587 3.06466 1.77525 -157.74266 342.07315
7925.0000 -160.65692 -157.52942 3.12749 1.75452 -158.07088 325.67311
7930.0000 -160.73533 -158.24008 2.49526 1.75812 -158.01389 318.06419
7935.0000 -160.89586 -158.48977 2.40609 1.73986 -158.30292 304.74536
7940.0000 -160.56637 -157.94352 2.62285 1.74493 -158.22270 315.82606
7945.0000 -160.20846 -157.69843 2.51003 1.76686 -157.87549 330.11627
7950.0000 -160.80505 -157.97571 2.82934 1.77473 -157.75089 340.53488
7955.0000 -160.35477 -157.75017 2.60459 1.76789 -157.85924 333.51747
7960.0000 -160.37914 -157.61104 2.76810 1.76361 -157.92693 330.68955
7965.0000 -160.84495 -158.25131 2.59364 1.73916 -158.31411 308.18987
7970.0000 -160.53343 -157.75581 2.77762 1.75518 -158.06038 319.10995
7975.0000 -160.74044 -158.22296 2.51749 1.75530 -158.05846 316.64092
7980.0000 -160.79705 -158.21782 2.57923 1.73840 -158.32612 305.07451
7985.0000 -160.41239 -157.62248 2.78991 1.77331 -157.77337 337.42124
7990.0000 -160.53200 -157.91895 2.61304 1.78106 -157.65073 345.63613
7995.0000 -160.37262 -157.72068 2.65194 1.77699 -157.71513 338.29084
8000.0000 -160.76659 -158.18570 2.58089 1.76728 -157.86888 328.31373
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) -0.38113 1.77991 -1.88766
force_rgl> df(natom) -1.08121 -0.25914 -0.15168
8005.0000 -160.52602 -158.15387 2.37215 1.75673 -158.03584 312.41627
8010.0000 -160.60901 -157.94548 2.66353 1.76621 -157.88581 323.95312
8015.0000 -160.81243 -158.20015 2.61228 1.74947 -158.15087 312.39843
8020.0000 -160.44592 -157.68390 2.76202 1.77744 -157.70798 343.35489
8025.0000 -160.26217 -157.59813 2.66405 1.78303 -157.61955 345.41105
8030.0000 -160.45632 -157.58482 2.87151 1.78740 -157.55022 351.98959
8035.0000 -160.51401 -158.05131 2.46270 1.77321 -157.77487 335.67786
8040.0000 -160.27877 -157.58676 2.69201 1.76579 -157.89242 323.77994
8045.0000 -160.21442 -157.58091 2.63350 1.78072 -157.65601 337.93781
8050.0000 -160.25513 -157.90012 2.35501 1.76028 -157.97972 322.71836
8055.0000 -160.58687 -157.85288 2.73399 1.78195 -157.63656 339.61997
8060.0000 -161.02696 -158.29712 2.72984 1.75708 -158.03037 316.60689
8065.0000 -161.25297 -158.53537 2.71760 1.71493 -158.69774 283.18535
8070.0000 -160.69712 -158.33363 2.36349 1.72189 -158.58754 289.58775
8075.0000 -160.86135 -158.22755 2.63379 1.73480 -158.38306 306.27311
8080.0000 -160.97785 -158.20852 2.76934 1.73198 -158.42776 299.63262
8085.0000 -160.61192 -158.38536 2.22657 1.72697 -158.50700 296.99648
8090.0000 -160.67043 -157.76030 2.91013 1.72879 -158.47819 299.78913
8095.0000 -160.83562 -157.70063 3.13499 1.77152 -157.80176 339.88330
8100.0000 -160.67602 -157.74259 2.93342 1.77523 -157.74291 336.55813
8105.0000 -160.57971 -157.78689 2.79282 1.78386 -157.60628 341.07438
8110.0000 -160.38242 -158.20210 2.18033 1.75229 -158.10623 313.34525
8115.0000 -160.29038 -158.06431 2.22607 1.74544 -158.21463 305.86547
8120.0000 -160.49607 -158.06925 2.42682 1.75098 -158.12689 310.29863
8125.0000 -160.98213 -158.61844 2.36370 1.72923 -158.47128 296.31585
8130.0000 -160.79469 -158.32238 2.47232 1.72680 -158.50975 294.47955
8135.0000 -160.65436 -158.34781 2.30655 1.74717 -158.18721 313.19289
8140.0000 -161.15675 -158.51206 2.64469 1.73413 -158.39371 302.96868
8145.0000 -160.73930 -158.69412 2.04518 1.72973 -158.46343 291.19939
8150.0000 -160.15057 -157.99701 2.15356 1.74811 -158.17234 309.37400
8155.0000 -161.41275 -159.00482 2.40793 1.73946 -158.30938 302.32801
8160.0000 -161.43572 -158.67483 2.76089 1.71429 -158.70781 283.93322
8165.0000 -160.81408 -158.88538 1.92871 1.71068 -158.76493 276.92390
8170.0000 -161.22226 -158.87353 2.34873 1.70582 -158.84200 272.07084
8175.0000 -160.80951 -158.16230 2.64721 1.71943 -158.62645 292.77488
8180.0000 -160.31915 -158.08936 2.22979 1.75542 -158.05668 324.86709
8185.0000 -160.50878 -157.71993 2.78885 1.76940 -157.83532 330.78479
8190.0000 -160.70068 -157.81199 2.88869 1.75324 -158.09112 318.55206
8195.0000 -160.31028 -157.69084 2.61945 1.76383 -157.92346 325.60548
8200.0000 -160.44402 -158.20434 2.23968 1.74775 -158.17799 313.29596
8205.0000 -160.75391 -158.32607 2.42784 1.74488 -158.22355 313.97374
8210.0000 -160.65031 -158.33164 2.31867 1.74525 -158.21762 311.28453
8215.0000 -159.78135 -157.70168 2.07966 1.75597 -158.04786 321.19106
8220.0000 -161.11090 -158.09017 3.02073 1.76291 -157.93802 326.89339
8225.0000 -160.94990 -158.81548 2.13442 1.72101 -158.60139 288.73673
8230.0000 -161.13075 -159.06780 2.06295 1.69519 -159.01027 265.87380
8235.0000 -160.99847 -158.93071 2.06777 1.69209 -159.05928 263.44558
8240.0000 -161.11754 -158.81559 2.30195 1.71801 -158.64899 286.29577
8245.0000 -161.00208 -158.78233 2.21976 1.69987 -158.93613 269.06700
8250.0000 -161.13609 -159.05321 2.08289 1.69102 -159.07626 257.37411
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 25.6742210 [s].
main_MD> Deallocating global variables
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