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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_99/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_99.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 = 99 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 99 9900
main_MD> Size of nv and nvoiz: 99 9900
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 = 99
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> 6.7492436835652786E-002 -2.6216994835201450E-002 -8.8075057840227858E-002 initial drift of cluster / NP1 for coalescence
init> 0.33940762881737829 0.35154484106659434 0.34410637304023162 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8004773519122246E-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) -0.32746 -3.01609 -1.14606
force_rgl> df(natom) 2.32710 0.81246 0.27109
preparo> THERMALIZATION PROCESS AT 1252.3248073235293
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -221.05656284564654 12.622155838867247 -233.67871868451380 6.9727575885390313E-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 38
FREEZING PROCESS: loop number 1 T-loop= 1228.0000000000000
main_MD> interactions number 1 at Temperature= 1228.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.43387 -7.26166 -7.87644
force_rgl> df(natom) 0.93464 -0.10953 1.42039
5.0000 -233.86785 -219.93921 13.92863 3.35320 -220.28991 1220.66284
10.0000 -236.90558 -221.86688 15.03870 3.35486 -220.25441 1193.13850
15.0000 -235.55603 -218.47459 17.08144 3.35196 -220.31636 1210.61518
20.0000 -232.05987 -217.14141 14.91846 3.46458 -217.90640 1268.25684
25.0000 -232.02898 -214.62601 17.40297 3.58612 -215.30524 1374.49029
30.0000 -232.73538 -219.08778 13.64759 3.50939 -216.94729 1294.97952
35.0000 -236.34249 -222.38757 13.95492 3.35313 -220.29138 1177.81117
40.0000 -235.38455 -220.61712 14.76743 3.32346 -220.92635 1164.74604
45.0000 -232.08304 -214.25486 17.82819 3.49467 -217.26238 1274.41388
50.0000 -233.79731 -217.32026 16.47705 3.55619 -215.94575 1307.37554
55.0000 -232.12479 -218.42840 13.69638 3.46132 -217.97613 1255.30993
60.0000 -231.75758 -216.32731 15.43027 3.52319 -216.65215 1312.86177
65.0000 -235.30851 -220.24549 15.06301 3.49662 -217.22060 1253.84329
70.0000 -234.01429 -219.51040 14.50389 3.40925 -219.09042 1217.88105
75.0000 -235.34615 -217.40435 17.94180 3.44530 -218.31890 1238.10258
80.0000 -233.69700 -218.48852 15.20848 3.46359 -217.92751 1247.87432
85.0000 -234.21673 -217.62579 16.59094 3.44610 -218.30187 1253.72767
90.0000 -234.84153 -217.90773 16.93380 3.45473 -218.11705 1252.34018
95.0000 -236.53018 -219.00888 17.52130 3.35484 -220.25479 1183.23821
100.0000 -234.03722 -218.94669 15.09053 3.46691 -217.85655 1260.44610
105.0000 -237.02285 -222.12717 14.89568 3.33071 -220.77130 1195.50518
110.0000 -236.37915 -220.84861 15.53053 3.34997 -220.35894 1196.16162
115.0000 -236.18519 -221.77290 14.41228 3.34054 -220.56092 1214.91092
120.0000 -234.22641 -219.71967 14.50674 3.32191 -220.95956 1145.29818
125.0000 -233.44787 -217.27310 16.17477 3.44587 -218.30680 1270.00525
130.0000 -233.30922 -218.73290 14.57633 3.45562 -218.09816 1300.89519
135.0000 -236.62080 -219.33196 17.28884 3.40410 -219.20060 1218.21404
140.0000 -233.69751 -219.12617 14.57134 3.36922 -219.94711 1189.18022
145.0000 -232.44531 -214.97798 17.46733 3.47008 -217.78873 1246.90895
150.0000 -231.15391 -215.12947 16.02444 3.57442 -215.55581 1312.98439
155.0000 -232.08063 -211.74459 20.33604 3.64856 -213.96904 1347.04028
160.0000 -230.49125 -214.90063 15.59063 3.62962 -214.37443 1342.07872
165.0000 -233.85888 -219.10228 14.75660 3.52957 -216.51555 1300.36767
170.0000 -235.16199 -217.30535 17.85665 3.48221 -217.52905 1297.73998
175.0000 -232.69821 -218.13152 14.56670 3.43909 -218.45191 1268.06709
180.0000 -231.06281 -212.91205 18.15076 3.59730 -215.06596 1350.19782
185.0000 -232.71931 -214.33051 18.38881 3.64396 -214.06742 1371.55517
190.0000 -232.79673 -216.74850 16.04823 3.57041 -215.64163 1339.93646
195.0000 -231.92807 -214.99891 16.92916 3.53330 -216.43562 1331.89466
200.0000 -235.56192 -218.73912 16.82281 3.60422 -214.91806 1369.12537
205.0000 -234.54536 -218.71733 15.82803 3.46497 -217.89789 1268.69614
210.0000 -232.59397 -217.22694 15.36703 3.39938 -219.30157 1225.14418
215.0000 -232.57631 -214.53736 18.03895 3.54191 -216.25144 1332.14618
220.0000 -233.63453 -217.80622 15.82831 3.53692 -216.35832 1301.81091
225.0000 -231.55206 -215.93187 15.62019 3.43878 -218.45842 1229.76326
230.0000 -236.64159 -218.78472 17.85688 3.42592 -218.73366 1256.46114
235.0000 -236.50294 -219.23541 17.26752 3.42478 -218.75803 1244.92431
240.0000 -237.50666 -223.67619 13.83047 3.25907 -222.30439 1149.11671
245.0000 -237.37183 -220.78172 16.59011 3.29927 -221.44413 1164.56049
250.0000 -235.24965 -216.71810 18.53155 3.40791 -219.11920 1211.57183
FREEZING PROCESS: loop number 2 T-loop= 1203.0000000000000
main_MD> interactions number 2 at Temperature= 1203.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34699 -0.73369 -2.79200
force_rgl> df(natom) -1.54854 -1.49002 3.21998
255.0000 -237.86849 -218.74023 19.12826 3.43956 -218.44177 1266.51602
260.0000 -234.24512 -218.84072 15.40440 3.39679 -219.35701 1208.52286
265.0000 -235.43852 -220.20233 15.23618 3.45647 -218.07981 1266.33591
270.0000 -235.79779 -221.87287 13.92492 3.38779 -219.54978 1208.11495
275.0000 -240.18917 -223.81100 16.37817 3.23320 -222.85799 1133.41816
280.0000 -234.67729 -216.86107 17.81622 3.37051 -219.91938 1218.02589
285.0000 -233.55605 -219.02207 14.53398 3.44821 -218.25674 1246.05587
290.0000 -233.20218 -217.38117 15.82101 3.42219 -218.81356 1247.20822
295.0000 -234.74772 -220.47184 14.27588 3.38002 -219.71597 1214.14944
300.0000 -235.05632 -217.90726 17.14906 3.39324 -219.43314 1215.29337
305.0000 -235.01630 -219.33429 15.68201 3.46335 -217.93267 1245.63057
310.0000 -235.09884 -219.17636 15.92248 3.44275 -218.37347 1251.43795
315.0000 -235.72964 -221.15849 14.57115 3.30902 -221.23533 1168.08250
320.0000 -234.75843 -219.10807 15.65036 3.36666 -220.00192 1207.03057
325.0000 -237.88150 -224.37844 13.50306 3.28962 -221.65050 1186.81126
330.0000 -234.70523 -219.74554 14.95969 3.28400 -221.77084 1127.66176
335.0000 -235.46518 -222.04508 13.42010 3.38547 -219.59932 1226.81968
340.0000 -234.92549 -220.88435 14.04114 3.32210 -220.95540 1206.73179
345.0000 -238.24313 -222.17776 16.06537 3.29806 -221.47003 1149.50590
350.0000 -237.40533 -223.24270 14.16263 3.21400 -223.26883 1101.38180
355.0000 -235.39768 -220.48578 14.91190 3.26993 -222.07196 1155.71950
360.0000 -236.62542 -221.90593 14.71948 3.28493 -221.75091 1171.94454
365.0000 -234.30626 -220.16798 14.13828 3.27272 -222.01225 1164.73039
370.0000 -236.39084 -219.29190 17.09894 3.46331 -217.93353 1252.11835
375.0000 -235.72335 -220.86393 14.85942 3.32780 -220.83340 1172.02727
380.0000 -237.47237 -221.10431 16.36807 3.32272 -220.94226 1175.36857
385.0000 -236.53883 -221.58121 14.95762 3.30994 -221.21566 1199.88874
390.0000 -233.14194 -219.20858 13.93336 3.40409 -219.20075 1217.25036
395.0000 -237.06648 -220.47668 16.58980 3.39512 -219.39271 1221.50029
400.0000 -235.62609 -218.96531 16.66078 3.37939 -219.72947 1223.72697
405.0000 -234.10228 -219.11929 14.98299 3.39938 -219.30156 1206.92267
410.0000 -236.46723 -221.91915 14.54809 3.40910 -219.09360 1234.14604
415.0000 -237.46796 -223.99100 13.47695 3.20427 -223.47701 1113.84270
420.0000 -238.27161 -226.05062 12.22100 3.19859 -223.59855 1108.71952
425.0000 -237.72283 -223.03108 14.69175 3.17775 -224.04470 1087.81231
430.0000 -236.53945 -222.54605 13.99340 3.27212 -222.02512 1175.56633
435.0000 -236.60421 -220.01206 16.59215 3.29721 -221.48811 1176.87656
440.0000 -234.64584 -221.45271 13.19313 3.37594 -219.80319 1232.20939
445.0000 -234.57573 -217.47578 17.09995 3.38995 -219.50335 1237.41137
450.0000 -234.15347 -219.28773 14.86574 3.43582 -218.52172 1218.97009
455.0000 -237.93249 -222.62647 15.30603 3.30600 -221.30002 1179.00716
460.0000 -235.81255 -223.20485 12.60771 3.20889 -223.37823 1143.22270
465.0000 -237.49084 -221.42947 16.06137 3.25143 -222.46774 1133.21286
470.0000 -238.67470 -223.89344 14.78126 3.23697 -222.77730 1111.10733
475.0000 -236.97003 -222.30619 14.66384 3.17376 -224.12994 1105.17290
480.0000 -234.27983 -218.53296 15.74687 3.39363 -219.42471 1221.19574
485.0000 -236.35396 -219.91902 16.43494 3.42955 -218.65595 1255.50078
490.0000 -233.37456 -218.19148 15.18307 3.41537 -218.95944 1238.86885
495.0000 -236.13262 -221.61908 14.51354 3.38528 -219.60330 1228.46363
500.0000 -235.93817 -220.61494 15.32323 3.33256 -220.73168 1192.93113
FREEZING PROCESS: loop number 3 T-loop= 1178.0000000000000
main_MD> interactions number 3 at Temperature= 1178.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26002 0.37442 3.33590
force_rgl> df(natom) -0.36296 0.19935 -3.06665
505.0000 -235.81943 -220.84749 14.97194 3.29191 -221.60145 1147.47913
510.0000 -235.50306 -220.08715 15.41591 3.29707 -221.49105 1154.63445
515.0000 -236.38462 -221.20315 15.18147 3.32328 -220.93031 1163.88883
520.0000 -233.37760 -219.36331 14.01428 3.36887 -219.95453 1203.34085
525.0000 -235.18649 -222.21808 12.96841 3.32355 -220.92441 1186.34776
530.0000 -234.46204 -221.54135 12.92069 3.21507 -223.24596 1117.09154
535.0000 -236.80215 -221.05189 15.75026 3.27319 -222.00207 1156.02513
540.0000 -235.12441 -218.82445 16.29997 3.36109 -220.12105 1206.11785
545.0000 -234.23968 -219.16932 15.07035 3.43355 -218.57042 1253.33389
550.0000 -235.19805 -218.41929 16.77876 3.39850 -219.32055 1204.67761
555.0000 -236.91896 -219.47888 17.44008 3.36952 -219.94060 1230.32250
560.0000 -234.24012 -218.52568 15.71445 3.43672 -218.50249 1241.78350
565.0000 -237.37513 -221.66086 15.71427 3.36385 -220.06203 1214.15582
570.0000 -234.89129 -222.11663 12.77466 3.29349 -221.56784 1156.85867
575.0000 -236.78748 -222.24247 14.54501 3.26477 -222.18243 1129.08387
580.0000 -236.07162 -221.10255 14.96907 3.28889 -221.66615 1153.06282
585.0000 -236.81899 -224.77302 12.04597 3.25043 -222.48932 1126.76758
590.0000 -236.30872 -221.57358 14.73513 3.23514 -222.81650 1124.67789
595.0000 -235.26073 -219.15568 16.10504 3.34433 -220.47967 1165.31245
600.0000 -234.76366 -217.90657 16.85709 3.44963 -218.22631 1243.51240
605.0000 -232.67845 -218.02234 14.65611 3.43732 -218.48980 1273.15570
610.0000 -237.07858 -222.80452 14.27407 3.32776 -220.83436 1183.25858
615.0000 -234.54378 -220.74201 13.80177 3.26423 -222.19387 1154.92088
620.0000 -236.70902 -222.52519 14.18383 3.34160 -220.53808 1202.24987
625.0000 -238.35330 -222.85627 15.49703 3.21179 -223.31621 1135.49223
630.0000 -234.61336 -219.58847 15.02489 3.32088 -220.98149 1197.71832
635.0000 -235.44622 -219.44799 15.99823 3.39296 -219.43912 1224.01662
640.0000 -236.32352 -220.13465 16.18887 3.37343 -219.85696 1242.83002
645.0000 -236.64640 -222.65906 13.98734 3.31805 -221.04214 1162.90986
650.0000 -238.04551 -221.04954 16.99597 3.23983 -222.71607 1133.34491
655.0000 -234.57618 -219.00241 15.57377 3.31797 -221.04390 1146.86903
660.0000 -237.00458 -220.97734 16.02724 3.36188 -220.10413 1200.96606
665.0000 -234.55102 -220.31365 14.23738 3.30492 -221.32324 1198.39223
670.0000 -235.41775 -220.62138 14.79636 3.37993 -219.71798 1175.73704
675.0000 -237.13198 -220.97718 16.15480 3.29855 -221.45949 1167.14720
680.0000 -234.43148 -219.93460 14.49688 3.34395 -220.48787 1175.93765
685.0000 -236.90414 -223.17884 13.72530 3.27623 -221.93707 1161.04545
690.0000 -238.38547 -225.33711 13.04837 3.12147 -225.24913 1060.42243
695.0000 -239.48895 -227.36407 12.12488 3.08612 -226.00547 1022.08255
700.0000 -237.70155 -224.79019 12.91136 3.13956 -224.86191 1084.11608
705.0000 -237.09831 -220.56743 16.53089 3.22023 -223.13552 1114.22459
710.0000 -236.77206 -224.05392 12.71814 3.28799 -221.68552 1137.80895
715.0000 -237.26021 -225.34657 11.91364 3.18576 -223.87318 1087.96354
720.0000 -241.03207 -226.51279 14.51928 3.06911 -226.36953 1028.89582
725.0000 -235.49400 -221.34646 14.14753 3.24191 -222.67161 1140.77551
730.0000 -235.00613 -219.59358 15.41255 3.31622 -221.08138 1205.11971
735.0000 -237.65761 -221.36900 16.28861 3.32522 -220.88880 1177.31839
740.0000 -235.65458 -222.15820 13.49639 3.27679 -221.92514 1152.98357
745.0000 -238.19687 -223.57806 14.61881 3.24172 -222.67561 1138.31408
750.0000 -236.24317 -221.08852 15.15466 3.31002 -221.21389 1189.43142
FREEZING PROCESS: loop number 4 T-loop= 1153.0000000000000
main_MD> interactions number 4 at Temperature= 1153.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.47406 2.63052 0.06738
force_rgl> df(natom) -2.02445 1.29361 0.97195
755.0000 -239.03253 -222.96814 16.06439 3.28243 -221.80436 1149.80217
760.0000 -237.06532 -219.88236 17.18296 3.24846 -222.53149 1141.22371
765.0000 -235.88648 -221.11943 14.76705 3.39336 -219.43041 1216.91095
770.0000 -236.90607 -222.68433 14.22173 3.31547 -221.09729 1135.88403
775.0000 -237.34170 -219.41859 17.92311 3.36493 -220.03885 1233.54895
780.0000 -234.25169 -221.63070 12.62100 3.33391 -220.70264 1200.41355
785.0000 -237.89537 -221.66094 16.23443 3.24837 -222.53336 1097.00329
790.0000 -235.94022 -221.50307 14.43715 3.34184 -220.53299 1194.22994
795.0000 -237.36970 -222.96922 14.40048 3.32009 -220.99839 1189.41159
800.0000 -236.81495 -223.78965 13.02530 3.15763 -224.47527 1092.07385
805.0000 -237.90727 -221.80279 16.10448 3.20978 -223.35927 1121.58133
810.0000 -237.09287 -220.34721 16.74566 3.25563 -222.37790 1133.36082
815.0000 -236.74959 -220.35934 16.39025 3.32634 -220.86467 1206.65776
820.0000 -234.29071 -219.67130 14.61941 3.33852 -220.60401 1182.58681
825.0000 -237.18782 -223.07122 14.11660 3.31269 -221.15688 1171.01456
830.0000 -236.77457 -222.16208 14.61249 3.17261 -224.15466 1082.18333
835.0000 -236.78025 -221.58681 15.19344 3.23946 -222.72410 1124.21258
840.0000 -237.06141 -222.37558 14.68582 3.26725 -222.12922 1128.00235
845.0000 -233.85681 -217.02243 16.83437 3.40451 -219.19183 1221.71133
850.0000 -234.82444 -219.88317 14.94127 3.43968 -218.43925 1228.88044
855.0000 -234.95965 -219.11153 15.84812 3.37944 -219.72826 1210.94394
860.0000 -234.82643 -217.87410 16.95233 3.39233 -219.45259 1188.18443
865.0000 -236.42690 -220.57017 15.85674 3.38430 -219.62440 1188.12978
870.0000 -235.10265 -219.68709 15.41555 3.35980 -220.14864 1220.93193
875.0000 -235.52915 -222.28916 13.23999 3.26463 -222.18532 1140.36374
880.0000 -236.41310 -220.41352 15.99958 3.27239 -222.01927 1151.05194
885.0000 -239.19690 -224.75828 14.43862 3.21639 -223.21765 1140.19902
890.0000 -235.69298 -221.30263 14.39035 3.21151 -223.32205 1104.93608
895.0000 -238.48932 -225.60943 12.87990 3.23475 -222.82489 1138.75660
900.0000 -237.76644 -224.72944 13.03700 3.13853 -224.88386 1075.65736
905.0000 -239.27936 -225.47493 13.80443 3.09357 -225.84607 1047.66153
910.0000 -236.04607 -224.11423 11.93184 3.11394 -225.41010 1047.23772
915.0000 -238.56495 -223.02121 15.54373 3.24492 -222.60711 1133.97785
920.0000 -238.11840 -223.74402 14.37438 3.23085 -222.90837 1127.80961
925.0000 -236.38083 -221.12486 15.25597 3.28409 -221.76888 1179.63076
930.0000 -236.58585 -223.41270 13.17315 3.25778 -222.33191 1147.15356
935.0000 -235.83729 -217.91019 17.92709 3.35803 -220.18658 1244.11900
940.0000 -234.33690 -218.47952 15.85738 3.44251 -218.37861 1258.96254
945.0000 -234.10060 -219.75147 14.34913 3.39036 -219.49470 1215.72079
950.0000 -233.17230 -218.15136 15.02094 3.43067 -218.63202 1240.68541
955.0000 -236.28659 -223.11060 13.17599 3.29240 -221.59097 1174.03721
960.0000 -237.47067 -223.97209 13.49858 3.18279 -223.93686 1099.38156
965.0000 -237.58944 -223.84346 13.74598 3.28711 -221.70434 1182.99127
970.0000 -237.93492 -221.29468 16.64024 3.25713 -222.34594 1142.80534
975.0000 -237.89783 -224.09086 13.80698 3.29458 -221.54448 1167.43157
980.0000 -234.76140 -221.53898 13.22241 3.22901 -222.94756 1125.81565
985.0000 -237.93174 -221.65190 16.27984 3.24719 -222.55858 1135.65367
990.0000 -233.97520 -218.52845 15.44675 3.34384 -220.49032 1164.67168
995.0000 -234.54127 -219.66445 14.87683 3.41981 -218.86440 1254.46355
1000.0000 -236.57330 -219.64148 16.93182 3.41631 -218.93925 1232.58430
FREEZING PROCESS: loop number 5 T-loop= 1128.0000000000000
main_MD> interactions number 5 at Temperature= 1128.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12608 -0.77939 -0.39679
force_rgl> df(natom) 3.17523 2.14563 1.94994
1005.0000 -237.22070 -224.02115 13.19955 3.34534 -220.45813 1192.95057
1010.0000 -239.18823 -223.47958 15.70865 3.18233 -223.94658 1112.99022
1015.0000 -236.48716 -221.55688 14.93028 3.26809 -222.11127 1122.07615
1020.0000 -235.83889 -220.23458 15.60432 3.30482 -221.32536 1171.20282
1025.0000 -236.98783 -223.13348 13.85435 3.27011 -222.06800 1144.69780
1030.0000 -236.65909 -222.55654 14.10256 3.23122 -222.90036 1113.92759
1035.0000 -236.22775 -219.19919 17.02856 3.37106 -219.90765 1185.58735
1040.0000 -238.38470 -224.06614 14.31856 3.26517 -222.17370 1134.20068
1045.0000 -237.32327 -224.44801 12.87527 3.13577 -224.94303 1054.16248
1050.0000 -236.05578 -221.78609 14.26969 3.17854 -224.02777 1091.58235
1055.0000 -236.51932 -221.99000 14.52932 3.30832 -221.25045 1180.87131
1060.0000 -235.96798 -223.51320 12.45478 3.25930 -222.29952 1142.09662
1065.0000 -235.02373 -220.12318 14.90055 3.26470 -222.18386 1143.45777
1070.0000 -235.95654 -220.90738 15.04916 3.32329 -220.92990 1156.50614
1075.0000 -235.52967 -219.25769 16.27198 3.32592 -220.87374 1173.69020
1080.0000 -238.17922 -222.89240 15.28682 3.35713 -220.20572 1218.15286
1085.0000 -236.19757 -224.36759 11.82998 3.21315 -223.28704 1101.86130
1090.0000 -236.82815 -221.22310 15.60506 3.17433 -224.11776 1072.09051
1095.0000 -234.68468 -219.91698 14.76770 3.39654 -219.36251 1234.50767
1100.0000 -237.44347 -221.99194 15.45153 3.34165 -220.53708 1178.91290
1105.0000 -237.46517 -221.16094 16.30424 3.32058 -220.98806 1159.09885
1110.0000 -235.12116 -219.15386 15.96731 3.35002 -220.35793 1205.30561
1115.0000 -236.44763 -220.93145 15.51619 3.36342 -220.07115 1231.90126
1120.0000 -239.53045 -222.55853 16.97193 3.28800 -221.68519 1168.14398
1125.0000 -235.10542 -222.59142 12.51400 3.25793 -222.32865 1151.76842
1130.0000 -238.07943 -224.71718 13.36225 3.21504 -223.24662 1121.15552
1135.0000 -237.81358 -223.74944 14.06414 3.15491 -224.53350 1102.71797
1140.0000 -238.20185 -225.35429 12.84756 3.18974 -223.78811 1082.35893
1145.0000 -237.98823 -224.84225 13.14598 3.14044 -224.84310 1066.22912
1150.0000 -238.86243 -222.14134 16.72110 3.22379 -223.05937 1120.42672
1155.0000 -235.66478 -221.39150 14.27328 3.27870 -221.88432 1142.53095
1160.0000 -236.96981 -223.10929 13.86052 3.24333 -222.64112 1125.24457
1165.0000 -236.36398 -222.83295 13.53103 3.23591 -222.80001 1117.35350
1170.0000 -237.07678 -221.97595 15.10084 3.22921 -222.94336 1130.13152
1175.0000 -237.26179 -221.39718 15.86462 3.26052 -222.27332 1148.54648
1180.0000 -238.26717 -223.43029 14.83688 3.15922 -224.44112 1096.11546
1185.0000 -237.25503 -224.13211 13.12292 3.24048 -222.70210 1134.82204
1190.0000 -237.37480 -223.60308 13.77172 3.18766 -223.83253 1096.49270
1195.0000 -240.17524 -226.13883 14.03642 3.11366 -225.41626 1058.68158
1200.0000 -238.36844 -222.96914 15.39930 3.21992 -223.14215 1119.49044
1205.0000 -237.02340 -223.28326 13.74014 3.22568 -223.01889 1085.60303
1210.0000 -237.92501 -223.26377 14.66124 3.21600 -223.22600 1112.19594
1215.0000 -236.82920 -222.74010 14.08910 3.17350 -224.13549 1099.71602
1220.0000 -235.19057 -222.58887 12.60170 3.23903 -222.73313 1118.58038
1225.0000 -236.42156 -221.52505 14.89651 3.23001 -222.92623 1111.41954
1230.0000 -239.29840 -225.13142 14.16697 3.25754 -222.33706 1141.54830
1235.0000 -239.15789 -225.55007 13.60782 3.08012 -226.13394 1035.98989
1240.0000 -239.10064 -224.50266 14.59798 3.16673 -224.28049 1094.88226
1245.0000 -237.52887 -223.83048 13.69840 3.11013 -225.49182 1066.80913
1250.0000 -236.92311 -223.54515 13.37796 3.14722 -224.69789 1118.94689
FREEZING PROCESS: loop number 6 T-loop= 1103.0000000000000
main_MD> interactions number 6 at Temperature= 1103.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.53574 4.21352 5.90827
force_rgl> df(natom) 1.21385 4.02690 3.52190
1255.0000 -237.73276 -223.85975 13.87300 3.12309 -225.21446 1071.60835
1260.0000 -236.81094 -220.64636 16.16458 3.20929 -223.36962 1119.26034
1265.0000 -239.07042 -225.63892 13.43150 3.15870 -224.45238 1104.66404
1270.0000 -240.87302 -228.60200 12.27102 3.04694 -226.84397 1009.01762
1275.0000 -239.39848 -225.58080 13.81768 3.02118 -227.39541 988.06188
1280.0000 -236.45508 -222.56372 13.89136 3.19484 -223.67883 1091.73860
1285.0000 -238.43910 -226.27097 12.16813 3.15389 -224.55521 1084.96747
1290.0000 -236.32041 -221.37954 14.94087 3.20755 -223.40679 1108.00156
1295.0000 -234.71873 -222.49046 12.22826 3.23144 -222.89562 1146.14287
1300.0000 -237.28979 -221.17356 16.11623 3.31802 -221.04287 1183.38032
1305.0000 -234.16145 -219.09186 15.06959 3.31530 -221.10094 1184.73473
1310.0000 -235.66546 -218.53470 17.13076 3.36593 -220.01742 1205.80235
1315.0000 -238.56072 -225.25692 13.30380 3.24022 -222.70770 1123.06428
1320.0000 -237.48671 -224.64774 12.83897 3.20239 -223.51733 1127.54961
1325.0000 -236.58539 -224.47638 12.10900 3.16728 -224.26875 1074.47785
1330.0000 -239.37966 -226.11781 13.26185 3.15963 -224.43243 1087.70542
1335.0000 -237.42024 -223.14239 14.27784 3.14055 -224.84073 1084.43128
1340.0000 -237.30187 -220.96300 16.33886 3.30513 -221.31864 1204.62784
1345.0000 -236.31109 -221.79671 14.51438 3.28259 -221.80110 1175.51456
1350.0000 -237.76515 -224.42006 13.34509 3.20912 -223.37333 1136.74001
1355.0000 -238.00112 -222.02720 15.97392 3.25728 -222.34260 1148.98120
1360.0000 -236.86725 -221.86027 15.00697 3.23805 -222.75419 1128.47473
1365.0000 -237.71238 -222.64469 15.06769 3.22520 -223.02917 1120.60025
1370.0000 -240.04417 -224.78850 15.25566 3.20662 -223.42680 1111.71085
1375.0000 -236.58817 -222.12546 14.46272 3.18445 -223.90134 1095.76538
1380.0000 -239.02064 -223.79201 15.22863 3.21243 -223.30254 1131.39349
1385.0000 -238.63254 -224.63241 14.00013 3.17655 -224.07031 1115.34844
1390.0000 -240.35474 -228.61970 11.73504 3.08952 -225.93274 1019.30204
1395.0000 -236.71344 -224.44093 12.27252 3.13447 -224.97088 1059.07463
1400.0000 -237.01444 -222.97561 14.03883 3.18744 -223.83731 1093.64023
1405.0000 -236.59068 -222.68882 13.90185 3.21873 -223.16754 1120.58155
1410.0000 -236.11011 -222.55374 13.55636 3.21212 -223.30903 1099.83009
1415.0000 -236.20880 -221.04833 15.16047 3.23899 -222.73408 1108.54978
1420.0000 -238.35800 -223.40736 14.95064 3.25371 -222.41901 1116.43726
1425.0000 -237.19370 -221.39245 15.80125 3.23913 -222.73114 1124.31415
1430.0000 -240.06003 -226.54249 13.51754 3.21184 -223.31512 1124.08005
1435.0000 -237.38326 -223.51267 13.87059 3.04611 -226.86180 1006.15067
1440.0000 -235.26544 -220.88140 14.38404 3.25409 -222.41084 1108.61394
1445.0000 -235.31228 -219.37225 15.94003 3.31270 -221.15664 1170.79268
1450.0000 -238.03086 -223.73527 14.29559 3.29292 -221.58004 1161.89115
1455.0000 -236.48634 -223.87820 12.60815 3.18058 -223.98406 1097.96807
1460.0000 -237.67140 -222.41333 15.25806 3.20799 -223.39756 1111.10281
1465.0000 -237.97063 -223.12453 14.84610 3.24649 -222.57359 1124.70571
1470.0000 -238.11892 -223.93902 14.17990 3.19373 -223.70270 1104.67962
1475.0000 -238.64570 -224.89175 13.75394 3.15680 -224.49290 1095.25625
1480.0000 -237.25854 -223.65422 13.60432 3.14842 -224.67237 1078.94568
1485.0000 -237.70068 -220.83413 16.86655 3.21079 -223.33766 1111.92513
1490.0000 -236.21929 -222.34972 13.86957 3.33292 -220.72385 1200.05459
1495.0000 -235.88731 -221.46299 14.42432 3.28537 -221.74160 1142.15549
1500.0000 -240.19353 -224.91384 15.27970 3.21424 -223.26372 1109.99717
FREEZING PROCESS: loop number 7 T-loop= 1078.0000000000000
main_MD> interactions number 7 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40896 4.14481 -2.80230
force_rgl> df(natom) 5.03668 3.26955 4.14266
1505.0000 -240.42339 -225.86123 14.56216 3.12046 -225.27073 1111.37641
1510.0000 -238.01024 -225.49395 12.51628 3.05599 -226.65038 1038.44000
1515.0000 -240.06213 -227.43990 12.62223 3.02449 -227.32447 996.05985
1520.0000 -237.09250 -224.48371 12.60879 3.07912 -226.15540 1038.38814
1525.0000 -238.98213 -224.56016 14.42197 3.18423 -223.90599 1108.13109
1530.0000 -236.94745 -222.70839 14.23906 3.13646 -224.92835 1074.68555
1535.0000 -241.26930 -226.02155 15.24776 3.18631 -223.86145 1089.33414
1540.0000 -237.36070 -224.86307 12.49762 3.11544 -225.37802 1049.80193
1545.0000 -238.31293 -222.97882 15.33411 3.18346 -223.92236 1070.46147
1550.0000 -237.85724 -222.91413 14.94311 3.21866 -223.16920 1118.04398
1555.0000 -240.66130 -227.29623 13.36508 3.07457 -226.25266 1032.30826
1560.0000 -239.52700 -225.62049 13.90652 3.11937 -225.29392 1064.49143
1565.0000 -239.64225 -225.84839 13.79386 3.04998 -226.77893 1050.17070
1570.0000 -236.55395 -221.94170 14.61225 3.18324 -223.92714 1087.78047
1575.0000 -238.62962 -225.71960 12.91002 3.16774 -224.25883 1092.41026
1580.0000 -241.48248 -227.32310 14.15938 3.09726 -225.76726 1015.09562
1585.0000 -240.95132 -228.54459 12.40673 3.04708 -226.84106 1015.23124
1590.0000 -237.19562 -225.43092 11.76471 3.09039 -225.91412 1021.62481
1595.0000 -239.03692 -226.37741 12.65952 3.01773 -227.46904 986.63908
1600.0000 -240.28893 -228.42535 11.86358 3.05598 -226.65049 1010.57558
1605.0000 -239.99306 -227.01080 12.98226 2.99780 -227.89560 988.06214
1610.0000 -240.01978 -227.50074 12.51905 3.00990 -227.63670 987.60422
1615.0000 -238.96348 -226.06188 12.90160 3.05094 -226.75836 1018.21881
1620.0000 -238.62420 -225.17081 13.45339 3.13682 -224.92056 1074.43171
1625.0000 -237.80241 -224.82268 12.97973 3.17658 -224.06959 1091.21639
1630.0000 -237.39650 -223.00759 14.38891 3.18599 -223.86833 1130.41841
1635.0000 -238.32077 -224.60238 13.71839 3.22244 -223.08821 1119.54474
1640.0000 -238.88965 -224.69312 14.19653 3.17635 -224.07454 1094.52643
1645.0000 -236.97727 -222.86192 14.11535 3.17466 -224.11070 1037.86987
1650.0000 -237.75032 -221.70706 16.04327 3.17897 -224.01852 1094.53547
1655.0000 -233.37205 -219.72599 13.64606 3.32217 -220.95398 1191.97369
1660.0000 -236.73512 -221.83696 14.89816 3.31670 -221.07112 1138.96661
1665.0000 -240.45804 -224.19649 16.26155 3.24877 -222.52478 1118.75442
1670.0000 -234.22452 -220.14012 14.08440 3.25503 -222.39076 1127.44814
1675.0000 -235.87026 -224.56902 11.30124 3.29903 -221.44920 1171.07825
1680.0000 -239.30567 -223.67753 15.62814 3.19169 -223.74638 1109.64074
1685.0000 -238.26888 -223.59929 14.66959 3.17507 -224.10209 1078.22065
1690.0000 -238.43048 -224.03850 14.39198 3.20329 -223.49813 1099.84265
1695.0000 -235.77073 -223.02927 12.74146 3.20454 -223.47125 1105.66694
1700.0000 -234.92089 -221.93365 12.98724 3.25383 -222.41656 1113.91143
1705.0000 -238.73311 -224.72253 14.01058 3.16183 -224.38533 1087.93910
1710.0000 -239.75007 -227.22031 12.52976 3.04329 -226.92215 1016.21288
1715.0000 -236.92759 -223.20875 13.71884 3.15519 -224.52741 1060.46160
1720.0000 -238.23738 -224.38660 13.85078 3.19195 -223.74085 1106.24808
1725.0000 -238.57156 -225.70204 12.86952 3.10035 -225.70098 1049.30833
1730.0000 -238.94982 -224.98990 13.95992 3.12831 -225.10272 1058.82670
1735.0000 -238.04470 -223.22738 14.81732 3.15739 -224.48036 1106.88415
1740.0000 -237.89241 -223.97511 13.91730 3.17614 -224.07916 1101.86773
1745.0000 -239.79672 -226.28390 13.51282 3.14527 -224.73965 1068.83174
1750.0000 -236.07362 -223.72255 12.35106 3.15859 -224.45458 1099.12833
FREEZING PROCESS: loop number 8 T-loop= 1053.0000000000000
main_MD> interactions number 8 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42326 0.54376 -0.62299
force_rgl> df(natom) -0.99875 -2.41652 -1.68093
1755.0000 -237.37195 -222.03014 15.34180 3.22373 -223.06058 1095.53002
1760.0000 -236.72371 -223.59237 13.13134 3.16954 -224.22027 1093.05364
1765.0000 -236.68525 -225.22973 11.45552 3.15310 -224.57207 1013.23864
1770.0000 -238.57697 -226.18036 12.39662 3.11545 -225.37789 1024.66566
1775.0000 -240.30884 -228.00821 12.30063 3.02023 -227.41571 997.12466
1780.0000 -239.82123 -225.66349 14.15773 3.07678 -226.20536 1038.76134
1785.0000 -239.71267 -226.93823 12.77443 3.09270 -225.86469 1036.84935
1790.0000 -241.33900 -227.94112 13.39788 3.05985 -226.56782 1024.60691
1795.0000 -238.58463 -226.25359 12.33104 3.07410 -226.26275 1043.80451
1800.0000 -237.10918 -224.23093 12.87825 3.10505 -225.60052 1064.29499
1805.0000 -238.04334 -223.49728 14.54607 3.16898 -224.23236 1098.26867
1810.0000 -240.91854 -227.89334 13.02519 3.08381 -226.05492 1045.71644
1815.0000 -240.70892 -228.23909 12.46983 3.01049 -227.62406 997.56798
1820.0000 -240.99938 -227.54070 13.45868 2.98483 -228.17323 963.46606
1825.0000 -237.58368 -225.52812 12.05555 3.04355 -226.91651 1008.81462
1830.0000 -237.32033 -223.16880 14.15153 3.15874 -224.45156 1076.79180
1835.0000 -235.69086 -221.80988 13.88097 3.25989 -222.28672 1145.77264
1840.0000 -237.90591 -224.30489 13.60102 3.24610 -222.58185 1136.51428
1845.0000 -239.07032 -224.41421 14.65611 3.13503 -224.95878 1056.66034
1850.0000 -237.43852 -224.32739 13.11113 3.13777 -224.90012 1079.99244
1855.0000 -237.97506 -223.43331 14.54174 3.13204 -225.02285 1095.79205
1860.0000 -238.49401 -223.70565 14.78836 3.18873 -223.80961 1125.98713
1865.0000 -238.43451 -226.37837 12.05614 3.14787 -224.68412 1101.24923
1870.0000 -237.53146 -225.53552 11.99594 3.10044 -225.69904 1024.55914
1875.0000 -239.35270 -225.01999 14.33271 3.13752 -224.90564 1074.75149
1880.0000 -240.23615 -226.13482 14.10133 3.12365 -225.20240 1087.05734
1885.0000 -237.65343 -224.75081 12.90262 3.14353 -224.77706 1043.58040
1890.0000 -236.77057 -224.19795 12.57261 3.17720 -224.05640 1088.05827
1895.0000 -239.00085 -226.22227 12.77858 3.13515 -224.95634 1066.65622
1900.0000 -238.59836 -225.16185 13.43651 3.08677 -225.99155 1013.54075
1905.0000 -236.97201 -223.15233 13.81968 3.11317 -225.42677 1031.84148
1910.0000 -236.74033 -223.24459 13.49574 3.18195 -223.95478 1087.94788
1915.0000 -238.98819 -224.02706 14.96114 3.22388 -223.05740 1109.37921
1920.0000 -238.41788 -226.46151 11.95637 3.12840 -225.10070 1077.22813
1925.0000 -238.65925 -223.84729 14.81196 3.13603 -224.93752 1082.26452
1930.0000 -238.34207 -223.94671 14.39536 3.18026 -223.99082 1105.29092
1935.0000 -239.64114 -225.68159 13.95955 3.19867 -223.59701 1104.91512
1940.0000 -237.48662 -224.54641 12.94021 3.16057 -224.41226 1066.17567
1945.0000 -240.48294 -228.28957 12.19337 3.05503 -226.67082 1008.40198
1950.0000 -239.96991 -226.37321 13.59670 2.93403 -229.26029 952.42275
1955.0000 -236.48680 -223.51753 12.96927 3.07320 -226.28201 1018.44250
1960.0000 -236.23098 -223.49241 12.73857 3.20838 -223.38916 1124.92556
1965.0000 -235.58638 -220.61962 14.96676 3.27356 -221.99423 1168.52092
1970.0000 -236.91148 -222.58276 14.32872 3.32816 -220.82576 1191.32682
1975.0000 -239.09640 -225.30917 13.78724 3.19725 -223.62733 1105.86908
1980.0000 -235.68926 -221.99523 13.69403 3.11389 -225.41134 1067.30684
1985.0000 -234.73341 -220.26250 14.47091 3.30926 -221.23022 1170.51466
1990.0000 -236.42940 -221.84370 14.58570 3.21933 -223.15485 1097.20420
1995.0000 -238.50745 -223.19548 15.31198 3.23074 -222.91068 1130.84223
2000.0000 -240.30575 -226.85214 13.45360 3.13321 -224.99791 1074.93828
FREEZING PROCESS: loop number 9 T-loop= 1028.0000000000000
main_MD> interactions number 9 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.80016 -1.44161 0.19372
force_rgl> df(natom) 0.10041 0.91307 0.53414
2005.0000 -238.05426 -224.42012 13.63414 3.05786 -226.61026 1027.30910
2010.0000 -239.52891 -225.97191 13.55699 3.16338 -224.35221 1100.25299
2015.0000 -240.65944 -227.57025 13.08918 3.09816 -225.74795 1052.88940
2020.0000 -240.60059 -228.04580 12.55479 3.02634 -227.28486 1010.53337
2025.0000 -241.37626 -227.75621 13.62005 2.97434 -228.39774 974.54480
2030.0000 -241.57772 -228.65101 12.92670 2.94684 -228.98627 959.38593
2035.0000 -240.40579 -228.64526 11.76053 3.00454 -227.75137 971.30162
2040.0000 -239.19669 -223.39631 15.80038 3.10187 -225.66845 1049.76093
2045.0000 -240.14896 -227.09343 13.05553 3.10619 -225.57603 1065.72891
2050.0000 -239.78340 -228.48961 11.29379 3.03273 -227.14823 1007.15719
2055.0000 -241.34570 -228.79886 12.54683 2.93014 -229.34370 964.25936
2060.0000 -238.23382 -226.70735 11.52647 3.01417 -227.54522 1014.91280
2065.0000 -240.92702 -227.44106 13.48596 3.03677 -227.06157 1021.29536
2070.0000 -240.94948 -228.99269 11.95679 2.99296 -227.99917 972.12575
2075.0000 -238.19897 -224.03237 14.16660 3.06878 -226.37655 1020.81628
2080.0000 -241.01361 -227.91681 13.09680 3.06953 -226.36058 1020.61045
2085.0000 -241.37219 -226.31722 15.05497 3.00647 -227.71015 975.98732
2090.0000 -239.16530 -225.34964 13.81566 3.10676 -225.56379 1031.33631
2095.0000 -239.07524 -225.30266 13.77258 3.11026 -225.48896 1048.69882
2100.0000 -240.57925 -227.04916 13.53009 3.14157 -224.81886 1070.21657
2105.0000 -238.65325 -226.88807 11.76518 3.06271 -226.50654 1007.57728
2110.0000 -237.43890 -225.65970 11.77921 3.07452 -226.25384 1016.44048
2115.0000 -240.18178 -225.69682 14.48496 3.14447 -224.75691 1070.25717
2120.0000 -238.89628 -225.73581 13.16048 3.11902 -225.30148 1053.94904
2125.0000 -240.38200 -226.43777 13.94423 3.08295 -226.07348 1018.85627
2130.0000 -240.65604 -227.48365 13.17239 3.03743 -227.04762 1001.47519
2135.0000 -241.96629 -226.83901 15.12728 3.05704 -226.62793 1020.82361
2140.0000 -239.99066 -227.52475 12.46591 3.00989 -227.63691 1000.71238
2145.0000 -239.85577 -227.39156 12.46421 3.01026 -227.62902 1012.95748
2150.0000 -238.52471 -226.49136 12.03335 3.07773 -226.18505 1029.30062
2155.0000 -241.28161 -230.13550 11.14612 3.00460 -227.75013 1016.39964
2160.0000 -241.24731 -226.19988 15.04743 2.97495 -228.38464 971.83294
2165.0000 -238.19729 -225.12729 13.07001 3.11073 -225.47879 1042.81072
2170.0000 -241.21700 -229.37906 11.83794 3.03587 -227.08094 989.19526
2175.0000 -241.56375 -229.10774 12.45601 2.88437 -230.32307 913.40526
2180.0000 -240.16973 -227.95388 12.21585 3.03959 -227.00127 1002.00803
2185.0000 -239.29819 -226.21577 13.08242 3.02262 -227.36458 997.57536
2190.0000 -239.77739 -224.71420 15.06319 3.07286 -226.28929 1033.21982
2195.0000 -239.25944 -226.77713 12.48231 3.13063 -225.05305 1051.30428
2200.0000 -240.29733 -226.18322 14.11411 3.04936 -226.79230 1020.64838
2205.0000 -238.50297 -223.59132 14.91165 3.13112 -225.04257 1066.18971
2210.0000 -238.99119 -223.80825 15.18294 3.17786 -224.04236 1099.29416
2215.0000 -239.24569 -226.49440 12.75128 3.13986 -224.85547 1088.45969
2220.0000 -237.03068 -225.87748 11.15319 3.09946 -225.72006 1050.15489
2225.0000 -239.71501 -226.05392 13.66109 3.08822 -225.96054 1029.69531
2230.0000 -238.54383 -226.03082 12.51301 3.10051 -225.69769 1042.35888
2235.0000 -240.89073 -229.02376 11.86697 3.03601 -227.07791 996.86772
2240.0000 -238.40620 -224.97107 13.43513 3.05537 -226.66352 1010.54847
2245.0000 -236.39223 -223.17897 13.21326 3.20620 -223.43588 1100.43825
2250.0000 -237.71113 -224.94718 12.76395 3.16711 -224.27226 1091.55138
FREEZING PROCESS: loop number 10 T-loop= 1003.0000000000000
main_MD> interactions number 10 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.88252 3.45124 0.20425
force_rgl> df(natom) -0.90210 0.61279 -3.07452
2255.0000 -239.02430 -225.46906 13.55524 3.10454 -225.61139 1054.52990
2260.0000 -241.35830 -226.64003 14.71827 3.02282 -227.36024 998.89156
2265.0000 -238.50082 -224.86338 13.63744 3.09895 -225.73095 1023.43300
2270.0000 -239.90358 -227.85290 12.05068 3.05734 -226.62139 1031.69870
2275.0000 -241.62845 -229.29227 12.33618 2.98711 -228.12451 970.21244
2280.0000 -238.72290 -227.17220 11.55070 2.99786 -227.89444 976.03208
2285.0000 -238.94510 -227.03815 11.90694 2.99786 -227.89434 947.12105
2290.0000 -242.24639 -230.15212 12.09427 2.97974 -228.28206 958.32059
2295.0000 -240.20086 -228.29021 11.91064 2.94532 -229.01874 961.14646
2300.0000 -241.30018 -228.14812 13.15206 3.03877 -227.01888 995.76614
2305.0000 -241.34046 -228.66682 12.67364 2.99287 -228.00105 975.70727
2310.0000 -239.66931 -227.25592 12.41339 3.00018 -227.84464 963.02615
2315.0000 -239.80628 -226.76882 13.03746 3.07497 -226.24412 1027.53878
2320.0000 -239.57466 -226.25819 13.31648 3.07698 -226.20106 1029.27586
2325.0000 -239.71853 -225.18533 14.53320 3.11696 -225.34561 1055.72588
2330.0000 -238.09406 -223.30130 14.79276 3.14964 -224.64623 1080.72843
2335.0000 -239.67349 -227.93680 11.73669 3.17598 -224.08253 1112.86084
2340.0000 -238.89855 -226.42270 12.47585 3.05014 -226.77562 1020.36353
2345.0000 -240.95099 -228.34181 12.60918 2.98782 -228.10917 973.73145
2350.0000 -238.62548 -225.82072 12.80476 3.00906 -227.65476 988.58481
2355.0000 -239.82095 -227.96688 11.85407 3.02285 -227.35947 1011.43430
2360.0000 -237.99588 -225.93371 12.06216 3.11629 -225.35985 1057.41092
2365.0000 -239.53089 -227.08870 12.44219 3.01437 -227.54101 970.87588
2370.0000 -237.18223 -225.86067 11.32155 3.06550 -226.44692 1014.95451
2375.0000 -239.18191 -227.90357 11.27834 3.05560 -226.65863 1011.87139
2380.0000 -239.78341 -227.22585 12.55756 3.03229 -227.15747 995.09767
2385.0000 -240.14947 -225.59647 14.55300 2.99769 -227.89792 988.93784
2390.0000 -239.77801 -227.73820 12.03982 3.05062 -226.76521 1020.16754
2395.0000 -241.38801 -231.21171 10.17630 2.91098 -229.75354 923.02104
2400.0000 -240.85218 -227.93216 12.92002 2.95042 -228.90951 977.52964
2405.0000 -240.36230 -227.68821 12.67409 3.03820 -227.03105 1014.54452
2410.0000 -239.75825 -226.58400 13.17425 3.01640 -227.49765 1002.93938
2415.0000 -240.65145 -227.22847 13.42298 3.01998 -227.42107 1013.67852
2420.0000 -240.66090 -226.35523 14.30567 3.09875 -225.73530 1060.26697
2425.0000 -240.66156 -229.46576 11.19580 2.92890 -229.37017 961.89334
2430.0000 -240.41931 -227.26165 13.15766 2.97089 -228.47157 978.15374
2435.0000 -241.20315 -227.72850 13.47465 3.05397 -226.69360 1027.00079
2440.0000 -240.76878 -227.91348 12.85530 2.98843 -228.09624 989.11708
2445.0000 -240.97634 -228.05598 12.92036 2.98173 -228.23950 982.67878
2450.0000 -238.55614 -226.45504 12.10110 3.01250 -227.58109 1019.21514
2455.0000 -240.97868 -227.72061 13.25807 2.97927 -228.29223 957.71346
2460.0000 -238.02662 -225.37225 12.65437 3.08667 -225.99373 1008.24951
2465.0000 -237.71786 -225.33034 12.38752 3.10206 -225.66441 1038.78846
2470.0000 -237.58331 -223.45818 14.12513 3.17938 -224.00980 1093.35946
2475.0000 -238.97263 -224.90602 14.06661 3.16091 -224.40507 1104.43217
2480.0000 -237.80724 -227.04249 10.76476 3.06112 -226.54050 1017.13205
2485.0000 -239.64128 -225.57821 14.06307 3.01381 -227.55303 1004.15420
2490.0000 -238.31452 -224.20948 14.10504 3.15111 -224.61484 1075.78570
2495.0000 -240.18872 -228.05981 12.12890 3.01735 -227.47730 968.86437
2500.0000 -241.24910 -230.10308 11.14601 2.91875 -229.58731 933.66487
FREEZING PROCESS: loop number 11 T-loop= 978.00000000000000
main_MD> interactions number 11 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35137 2.47733 0.46343
force_rgl> df(natom) 0.55317 1.18999 -0.66379
2505.0000 -241.68013 -230.18524 11.49489 2.90661 -229.84708 939.26702
2510.0000 -242.35975 -229.02534 13.33441 2.92726 -229.40521 939.10644
2515.0000 -237.35385 -224.35955 12.99431 3.11964 -225.28821 1034.04092
2520.0000 -240.35714 -226.84541 13.51173 3.07544 -226.23417 1046.86906
2525.0000 -239.85326 -226.45038 13.40288 3.05037 -226.77052 1019.68765
2530.0000 -237.54656 -225.04205 12.50450 3.08653 -225.99676 1017.37133
2535.0000 -238.77654 -226.03452 12.74202 3.11720 -225.34044 1060.32785
2540.0000 -239.16111 -225.89807 13.26305 3.07059 -226.33799 1015.27066
2545.0000 -241.32285 -228.07773 13.24512 3.03005 -227.20540 991.40069
2550.0000 -240.65533 -229.15036 11.50497 3.03160 -227.17221 1016.86077
2555.0000 -239.88852 -228.61398 11.27454 2.98199 -228.23395 984.85632
2560.0000 -243.31429 -230.75031 12.56398 2.93311 -229.27996 981.03315
2565.0000 -240.84472 -228.57908 12.26565 2.90041 -229.97977 935.41813
2570.0000 -239.95453 -228.18614 11.76840 2.96327 -228.63457 958.40508
2575.0000 -241.31711 -229.97690 11.34022 2.98402 -228.19064 966.95439
2580.0000 -241.67071 -228.29182 13.37889 2.96512 -228.59501 961.93075
2585.0000 -242.40363 -229.04652 13.35711 2.94353 -229.05710 955.16663
2590.0000 -241.00611 -230.30769 10.69842 2.92904 -229.36714 948.08420
2595.0000 -241.09344 -230.25874 10.83470 2.88861 -230.23245 934.15338
2600.0000 -240.42061 -228.68517 11.73544 2.91690 -229.62699 939.89093
2605.0000 -239.71780 -227.42411 12.29370 3.00463 -227.74949 980.69974
2610.0000 -239.48123 -225.79027 13.69096 3.06260 -226.50890 1013.69012
2615.0000 -241.26167 -228.99856 12.26311 3.03617 -227.07443 999.31587
2620.0000 -240.78425 -227.83070 12.95355 3.01821 -227.45876 991.97143
2625.0000 -241.21875 -230.78716 10.43159 2.98484 -228.17301 968.51475
2630.0000 -242.62921 -229.13913 13.49008 2.89675 -230.05812 955.68843
2635.0000 -241.49965 -230.05706 11.44260 2.92357 -229.48416 962.79279
2640.0000 -241.56052 -228.82633 12.73419 2.97857 -228.30713 958.27247
2645.0000 -242.39831 -228.88732 13.51099 2.94548 -229.01533 954.77079
2650.0000 -242.08806 -229.76252 12.32554 2.93721 -229.19224 971.45641
2655.0000 -239.85666 -227.38371 12.47295 2.97049 -228.48017 964.77140
2660.0000 -240.19348 -228.73132 11.46216 3.01695 -227.48585 1004.14283
2665.0000 -239.44849 -226.79129 12.65720 3.01231 -227.58506 985.85406
2670.0000 -241.37088 -228.32599 13.04489 3.01319 -227.56631 996.89770
2675.0000 -240.19628 -227.81177 12.38452 2.98328 -228.20631 968.64702
2680.0000 -242.02122 -229.21772 12.80350 2.95971 -228.71087 954.82356
2685.0000 -242.48773 -230.10570 12.38203 2.94447 -229.03698 948.71786
2690.0000 -239.97416 -228.88972 11.08444 2.95488 -228.81407 963.27294
2695.0000 -242.23899 -229.03663 13.20236 2.95003 -228.91786 955.50022
2700.0000 -240.31277 -227.95155 12.36122 2.93468 -229.24635 953.81845
2705.0000 -239.33543 -226.38397 12.95146 2.98399 -228.19127 984.58517
2710.0000 -241.54695 -229.05404 12.49292 3.01501 -227.52727 975.45683
2715.0000 -243.29962 -230.98391 12.31571 2.90869 -229.80261 915.65056
2720.0000 -242.65192 -229.71721 12.93471 2.94085 -229.11439 950.96371
2725.0000 -242.21524 -229.74240 12.47284 2.89585 -230.07745 923.98410
2730.0000 -239.23035 -228.09523 11.13511 2.96357 -228.62823 956.59312
2735.0000 -240.18072 -229.26045 10.92027 2.95276 -228.85959 926.98647
2740.0000 -242.79581 -229.26456 13.53125 2.98553 -228.15823 992.65187
2745.0000 -239.25814 -226.96856 12.28958 2.98045 -228.26700 989.30868
2750.0000 -239.27589 -225.54146 13.73443 3.05495 -226.67251 1028.52323
FREEZING PROCESS: loop number 12 T-loop= 953.00000000000000
main_MD> interactions number 12 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13062 -1.82719 -2.22829
force_rgl> df(natom) 2.99389 -5.79748 3.68415
2755.0000 -239.95341 -226.98010 12.97331 3.03892 -227.01567 1000.14757
2760.0000 -239.59961 -227.95822 11.64139 3.02738 -227.26260 984.29838
2765.0000 -242.07455 -231.02748 11.04707 2.93707 -229.19534 941.40162
2770.0000 -243.99899 -232.52758 11.47141 2.84014 -231.26957 900.63068
2775.0000 -242.38455 -231.67837 10.70618 2.80843 -231.94835 881.83013
2780.0000 -242.25554 -229.69781 12.55774 2.89719 -230.04882 919.57655
2785.0000 -241.25076 -228.37986 12.87090 2.89599 -230.07444 917.14309
2790.0000 -239.80418 -226.82040 12.98378 2.97891 -228.29986 967.00386
2795.0000 -242.10238 -229.45216 12.65023 2.97101 -228.46891 952.58919
2800.0000 -242.64831 -231.26546 11.38285 2.85012 -231.05613 882.67731
2805.0000 -243.64921 -230.58726 13.06195 2.84533 -231.15868 891.69853
2810.0000 -241.75670 -230.32053 11.43617 2.89661 -230.06115 911.85720
2815.0000 -241.78227 -228.49306 13.28922 2.92534 -229.44624 944.43768
2820.0000 -242.20386 -230.34895 11.85492 2.95447 -228.82286 954.13336
2825.0000 -243.53058 -232.18483 11.34574 2.81513 -231.80477 869.34509
2830.0000 -242.44565 -230.45836 11.98728 2.84234 -231.22263 907.95608
2835.0000 -240.84594 -229.25649 11.58945 2.92450 -229.46437 936.67757
2840.0000 -242.18191 -230.99601 11.18590 2.90364 -229.91079 934.00888
2845.0000 -241.04575 -229.12310 11.92265 2.88900 -230.22412 917.57770
2850.0000 -241.70063 -229.98773 11.71290 2.94171 -229.09590 952.78420
2855.0000 -242.04156 -229.64406 12.39750 2.89183 -230.16339 920.59259
2860.0000 -239.44591 -226.64990 12.79600 2.99140 -228.03260 970.25027
2865.0000 -239.59954 -225.12493 14.47461 3.13179 -225.02817 1038.35804
2870.0000 -238.55645 -227.14756 11.40889 3.08666 -225.99409 1031.97045
2875.0000 -241.69742 -227.57004 14.12738 3.03048 -227.19632 985.80593
2880.0000 -239.72570 -226.64907 13.07663 3.00888 -227.65849 987.84504
2885.0000 -236.88435 -225.11356 11.77079 3.06450 -226.46833 1021.89302
2890.0000 -239.73400 -227.04185 12.69215 3.07634 -226.21487 1013.29308
2895.0000 -241.00580 -228.24692 12.75888 2.98789 -228.10766 995.07676
2900.0000 -239.11111 -227.17659 11.93452 2.96609 -228.57425 970.99748
2905.0000 -241.76576 -228.63798 13.12778 2.94985 -228.92185 950.01524
2910.0000 -241.31243 -229.65988 11.65255 2.94062 -229.11927 927.85775
2915.0000 -241.62312 -230.57883 11.04429 2.89736 -230.04507 909.43303
2920.0000 -242.03337 -229.33342 12.69995 2.90171 -229.95207 908.31319
2925.0000 -238.89457 -226.50464 12.38993 2.92460 -229.46208 915.14405
2930.0000 -241.92342 -231.38540 10.53802 2.97820 -228.31506 976.10789
2935.0000 -241.91946 -230.11236 11.80711 2.87352 -230.55522 908.93682
2940.0000 -241.73702 -230.26926 11.46776 2.90776 -229.82258 913.76532
2945.0000 -239.45550 -227.10071 12.35479 2.91754 -229.61329 925.27622
2950.0000 -240.70135 -228.58227 12.11909 2.98712 -228.12417 996.80879
2955.0000 -239.90155 -227.30361 12.59794 2.94401 -229.04673 953.52433
2960.0000 -241.04796 -229.58006 11.46790 3.02977 -227.21148 1000.73688
2965.0000 -241.69849 -228.49050 13.20799 2.94909 -228.93816 969.43503
2970.0000 -243.27304 -231.52815 11.74489 2.87532 -230.51687 921.01812
2975.0000 -240.63159 -228.64471 11.98688 2.89248 -230.14946 939.45043
2980.0000 -240.09096 -227.75906 12.33190 2.93388 -229.26347 957.22650
2985.0000 -240.30824 -227.02271 13.28553 2.98091 -228.25703 962.81871
2990.0000 -239.76811 -227.16622 12.60188 3.05231 -226.72905 1016.58693
2995.0000 -239.21802 -225.60414 13.61388 3.07357 -226.27424 1010.56717
3000.0000 -239.20797 -224.77097 14.43700 3.09525 -225.81016 1058.45283
FREEZING PROCESS: loop number 13 T-loop= 928.00000000000000
main_MD> interactions number 13 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28441 3.20601 -0.24957
force_rgl> df(natom) -1.68899 -0.29527 4.29052
3005.0000 -237.07412 -224.49650 12.57762 3.14633 -224.71698 1041.43449
3010.0000 -238.21938 -224.03530 14.18408 3.18390 -223.91311 1056.12973
3015.0000 -238.74138 -224.96732 13.77405 3.17684 -224.06408 1087.40747
3020.0000 -238.82216 -225.08927 13.73289 3.16779 -224.25788 1091.73194
3025.0000 -239.51884 -227.30539 12.21345 3.05185 -226.73898 989.32007
3030.0000 -241.81574 -227.99622 13.81952 3.02709 -227.26884 1001.77082
3035.0000 -241.82232 -230.64271 11.17960 2.98229 -228.22768 958.78430
3040.0000 -240.61581 -229.43619 11.17962 2.94314 -229.06536 956.24016
3045.0000 -240.87551 -228.29757 12.57794 2.90199 -229.94604 917.15093
3050.0000 -241.51933 -229.40278 12.11655 2.92091 -229.54110 954.46254
3055.0000 -242.69904 -230.70679 11.99224 2.93172 -229.30975 946.98999
3060.0000 -239.05399 -225.99160 13.06239 2.93728 -229.19076 948.47657
3065.0000 -238.96296 -228.16381 10.79916 3.00334 -227.77706 981.19886
3070.0000 -242.05532 -229.35546 12.69986 2.89117 -230.17763 924.11241
3075.0000 -241.37895 -230.78331 10.59563 2.92441 -229.46630 912.23611
3080.0000 -242.11688 -231.70330 10.41358 2.87238 -230.57979 881.55919
3085.0000 -242.91070 -232.56897 10.34173 2.81720 -231.76057 874.01387
3090.0000 -242.87709 -231.42732 11.44977 2.78116 -232.53189 869.27774
3095.0000 -243.00003 -230.18456 12.81547 2.89064 -230.18903 915.70558
3100.0000 -241.97700 -230.13516 11.84184 2.88800 -230.24533 917.32002
3105.0000 -238.61676 -226.75571 11.86105 2.90629 -229.85401 919.21852
3110.0000 -240.02590 -229.22717 10.79873 2.95831 -228.74065 986.05991
3115.0000 -241.71642 -229.03714 12.67928 2.96137 -228.67536 986.22603
3120.0000 -244.64668 -232.74814 11.89854 2.87557 -230.51147 919.90934
3125.0000 -244.70022 -232.12503 12.57520 2.79772 -232.17737 856.15615
3130.0000 -242.10087 -230.14111 11.95976 2.86855 -230.66161 907.16437
3135.0000 -243.57589 -231.40468 12.17121 2.84935 -231.07246 872.72737
3140.0000 -242.42538 -230.73111 11.69428 2.85485 -230.95480 889.03058
3145.0000 -242.62535 -228.81719 13.80816 2.93142 -229.31612 925.53740
3150.0000 -241.39088 -231.71345 9.67743 2.91699 -229.62510 935.34792
3155.0000 -240.08008 -226.82458 13.25549 2.90073 -229.97306 931.83500
3160.0000 -240.69418 -229.33816 11.35601 3.02648 -227.28189 998.00943
3165.0000 -242.30110 -229.71502 12.58608 2.90023 -229.98375 920.30561
3170.0000 -242.45950 -231.20961 11.24990 2.88589 -230.29059 914.62657
3175.0000 -241.07030 -230.10731 10.96299 2.89384 -230.12054 926.86635
3180.0000 -240.91747 -228.58345 12.33402 2.92624 -229.42714 922.31893
3185.0000 -239.97225 -227.96384 12.00841 2.98808 -228.10376 956.23937
3190.0000 -239.21162 -227.95197 11.25965 3.00579 -227.72475 979.47685
3195.0000 -242.43259 -228.95873 13.47386 2.95487 -228.81437 959.54012
3200.0000 -238.92150 -226.99633 11.92517 2.98241 -228.22508 956.56298
3205.0000 -240.68631 -228.09460 12.59170 2.99998 -227.84899 957.49499
3210.0000 -239.99034 -228.02504 11.96530 2.98992 -228.06427 965.36206
3215.0000 -240.17982 -228.03607 12.14375 2.99300 -227.99834 981.30731
3220.0000 -239.55285 -227.85588 11.69697 2.99047 -228.05251 972.94780
3225.0000 -242.45196 -228.79953 13.65243 2.99158 -228.02878 982.55347
3230.0000 -242.87918 -229.61307 13.26611 2.88609 -230.28621 927.69087
3235.0000 -240.91407 -228.17188 12.74219 2.90515 -229.87837 943.09657
3240.0000 -240.63240 -228.71179 11.92061 2.97707 -228.33929 973.96443
3245.0000 -239.16428 -226.35495 12.80934 3.00379 -227.76754 967.31205
3250.0000 -238.98519 -226.24732 12.73787 3.11546 -225.37774 1065.52567
FREEZING PROCESS: loop number 14 T-loop= 903.00000000000000
main_MD> interactions number 14 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46531 -1.13240 -1.71162
force_rgl> df(natom) -1.20304 1.64075 -1.68898
3255.0000 -240.44140 -227.50861 12.93278 3.05100 -226.75713 1013.41490
3260.0000 -244.45657 -233.00212 11.45445 2.89986 -229.99152 921.75896
3265.0000 -241.96214 -230.97539 10.98675 2.80383 -232.04670 879.77281
3270.0000 -241.95116 -230.60332 11.34784 2.84955 -231.06819 900.65357
3275.0000 -243.23402 -231.99511 11.23892 2.84040 -231.26411 890.02296
3280.0000 -244.65500 -232.84870 11.80630 2.79330 -232.27209 859.77689
3285.0000 -242.67052 -231.65944 11.01107 2.78234 -232.50662 837.98623
3290.0000 -242.37520 -231.23718 11.13803 2.82110 -231.67713 886.75740
3295.0000 -244.57154 -232.83121 11.74033 2.80653 -231.98889 889.32832
3300.0000 -241.94082 -230.40715 11.53367 2.84354 -231.19687 874.47583
3305.0000 -242.40670 -229.62491 12.78180 2.88231 -230.36718 913.21129
3310.0000 -242.46133 -230.59367 11.86767 2.91749 -229.61438 923.20428
3315.0000 -243.81314 -231.36778 12.44535 2.83695 -231.33791 870.52974
3320.0000 -244.17290 -230.73457 13.43833 2.85757 -230.89654 910.01330
3325.0000 -242.33902 -230.98573 11.35330 2.85036 -231.05089 884.06738
3330.0000 -241.66763 -231.15664 10.51099 2.81073 -231.89912 854.35323
3335.0000 -242.23172 -230.78231 11.44941 2.85870 -230.87253 899.77736
3340.0000 -242.49095 -230.02185 12.46910 2.90404 -229.90208 925.18591
3345.0000 -242.34411 -231.77293 10.57118 2.83644 -231.34878 890.03826
3350.0000 -242.76981 -232.46221 10.30761 2.81773 -231.74923 878.14958
3355.0000 -242.91089 -232.42584 10.48505 2.78397 -232.47179 842.74158
3360.0000 -244.29368 -232.06323 12.23046 2.80933 -231.92907 873.71086
3365.0000 -243.62914 -231.40223 12.22690 2.78652 -232.41722 873.45484
3370.0000 -243.48353 -230.91145 12.57208 2.89531 -230.08889 942.94396
3375.0000 -241.27170 -229.63372 11.63798 2.88025 -230.41117 925.43860
3380.0000 -244.67390 -231.93554 12.73837 2.91378 -229.69372 920.90108
3385.0000 -242.18631 -229.73498 12.45133 2.84988 -231.06120 903.69471
3390.0000 -242.14459 -230.26050 11.88409 2.92039 -229.55222 952.98429
3395.0000 -243.41510 -232.41644 10.99866 2.84568 -231.15119 896.68920
3400.0000 -243.59053 -231.85497 11.73555 2.80252 -232.07479 884.86050
3405.0000 -243.43710 -231.76279 11.67431 2.80999 -231.91481 889.74916
3410.0000 -242.36921 -231.30050 11.06871 2.83083 -231.46882 883.69747
3415.0000 -242.38764 -231.30571 11.08193 2.85910 -230.86399 905.61113
3420.0000 -243.65040 -230.58993 13.06047 2.88573 -230.29398 921.20893
3425.0000 -242.08655 -230.86629 11.22026 2.87920 -230.43365 939.05283
3430.0000 -243.34331 -231.78583 11.55748 2.80451 -232.03206 877.87847
3435.0000 -242.43688 -229.56063 12.87626 2.84752 -231.11162 895.79262
3440.0000 -242.89874 -232.06150 10.83725 2.85708 -230.90720 907.03574
3445.0000 -240.80601 -229.61016 11.19586 2.89850 -230.02074 942.85583
3450.0000 -242.90273 -231.96447 10.93826 2.83394 -231.40237 900.43043
3455.0000 -242.20533 -229.64113 12.56420 2.85963 -230.85259 909.36451
3460.0000 -242.17467 -230.61871 11.55596 2.96093 -228.68466 966.13996
3465.0000 -240.90063 -227.75676 13.14387 2.92443 -229.46582 943.84837
3470.0000 -241.85392 -228.67540 13.17852 2.96909 -228.51006 986.62433
3475.0000 -242.01190 -230.30685 11.70505 2.93361 -229.26928 972.58988
3480.0000 -242.70855 -231.17358 11.53497 2.87222 -230.58305 903.87748
3485.0000 -244.05435 -232.62578 11.42856 2.83299 -231.42269 900.12760
3490.0000 -242.56047 -233.31820 9.24227 2.78108 -232.53364 848.22105
3495.0000 -244.21273 -232.82333 11.38940 2.73466 -233.52700 822.90811
3500.0000 -243.23695 -231.44971 11.78725 2.77373 -232.69076 845.02819
FREEZING PROCESS: loop number 15 T-loop= 878.00000000000000
main_MD> interactions number 15 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42062 0.70080 2.75693
force_rgl> df(natom) 1.96658 0.94966 -0.36981
3505.0000 -242.65993 -231.62031 11.03962 2.87895 -230.43910 923.42736
3510.0000 -243.60348 -231.18911 12.41437 2.81807 -231.74188 870.01327
3515.0000 -243.92529 -233.35066 10.57464 2.82327 -231.63065 900.66088
3520.0000 -242.68665 -233.03828 9.64837 2.76346 -232.91056 838.02637
3525.0000 -242.78351 -230.82299 11.96053 2.81206 -231.87058 889.01741
3530.0000 -242.09047 -230.38794 11.70253 2.82267 -231.64349 885.44353
3535.0000 -241.96788 -230.24845 11.71943 2.85837 -230.87949 901.66105
3540.0000 -245.71829 -232.52931 13.18899 2.82814 -231.52645 901.62404
3545.0000 -241.20337 -230.33067 10.87270 2.83607 -231.35679 897.84998
3550.0000 -241.67339 -230.27825 11.39514 2.87465 -230.53118 904.91953
3555.0000 -242.37303 -231.15333 11.21970 2.88241 -230.36497 900.36224
3560.0000 -243.81514 -233.85298 9.96216 2.78383 -232.47461 881.44868
3565.0000 -243.05446 -232.33478 10.71968 2.76030 -232.97818 841.12393
3570.0000 -243.44934 -231.48783 11.96152 2.77971 -232.56289 862.46076
3575.0000 -242.49801 -230.73227 11.76574 2.81115 -231.89015 858.31446
3580.0000 -242.72145 -232.29041 10.43104 2.85329 -230.98814 874.98050
3585.0000 -243.28389 -232.84092 10.44298 2.77053 -232.75936 863.62411
3590.0000 -241.44260 -230.12993 11.31267 2.78055 -232.54498 852.45559
3595.0000 -243.66293 -232.18933 11.47360 2.89493 -230.09719 918.81952
3600.0000 -240.89941 -229.99525 10.90416 2.82958 -231.49567 899.26990
3605.0000 -243.73063 -232.56223 11.16841 2.80472 -232.02769 886.59619
3610.0000 -244.36212 -234.00204 10.36008 2.71805 -233.88243 814.30087
3615.0000 -243.28304 -232.44362 10.83942 2.74680 -233.26707 851.21990
3620.0000 -243.53614 -231.18508 12.35106 2.80136 -232.09961 857.06713
3625.0000 -242.90398 -230.24869 12.65530 2.91667 -229.63191 938.67498
3630.0000 -244.44089 -232.78470 11.65619 2.77640 -232.63379 862.56076
3635.0000 -241.54380 -231.37158 10.17222 2.79051 -232.33168 866.91294
3640.0000 -243.08076 -232.97622 10.10454 2.76100 -232.96333 822.34409
3645.0000 -243.20071 -232.93719 10.26352 2.78121 -232.53086 840.54322
3650.0000 -243.82988 -233.55130 10.27858 2.73046 -233.61679 829.32712
3655.0000 -244.54199 -233.50064 11.04135 2.70153 -234.23591 817.99267
3660.0000 -243.04863 -229.75627 13.29236 2.86986 -230.63373 921.80637
3665.0000 -244.76449 -232.86058 11.90391 2.83274 -231.42801 890.56874
3670.0000 -245.32587 -233.83802 11.48785 2.73440 -233.53260 852.25704
3675.0000 -242.37099 -230.99276 11.37823 2.78457 -232.45890 864.99712
3680.0000 -242.73349 -230.89335 11.84013 2.88386 -230.33397 919.55088
3685.0000 -244.29249 -233.09003 11.20246 2.82689 -231.55313 889.04433
3690.0000 -241.53541 -230.46387 11.07154 2.80511 -232.01934 855.14070
3695.0000 -242.22237 -229.56734 12.65504 2.91517 -229.66395 938.06245
3700.0000 -245.39970 -233.08748 12.31222 2.83696 -231.33774 881.85370
3705.0000 -244.02546 -232.97617 11.04929 2.76142 -232.95424 847.14489
3710.0000 -243.55620 -232.49987 11.05632 2.80281 -232.06851 865.75382
3715.0000 -244.07131 -232.84122 11.23009 2.80376 -232.04830 898.16224
3720.0000 -242.01992 -229.38980 12.63012 2.86171 -230.80801 914.36179
3725.0000 -244.55428 -231.94338 12.61089 2.83702 -231.33632 890.44859
3730.0000 -240.30856 -228.27518 12.03339 2.91754 -229.61333 929.85519
3735.0000 -240.68272 -229.05579 11.62693 2.97155 -228.45741 962.80988
3740.0000 -241.45587 -228.90220 12.55367 2.97930 -228.29163 979.02870
3745.0000 -241.53350 -229.95767 11.57583 2.93650 -229.20753 956.91916
3750.0000 -239.69975 -227.58876 12.11099 2.96685 -228.55794 968.41345
FREEZING PROCESS: loop number 16 T-loop= 853.00000000000000
main_MD> interactions number 16 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.09703 -3.10385 2.96013
force_rgl> df(natom) -0.48710 2.54232 4.91846
3755.0000 -239.89215 -230.26331 9.62884 2.91230 -229.72535 904.92179
3760.0000 -241.82646 -231.31614 10.51032 2.87076 -230.61440 895.93379
3765.0000 -242.15848 -231.72033 10.43815 2.86436 -230.75142 896.04634
3770.0000 -242.81774 -231.73324 11.08450 2.83484 -231.38306 883.96609
3775.0000 -243.07284 -232.38480 10.68803 2.86927 -230.64633 915.47421
3780.0000 -242.56473 -230.99271 11.57202 2.81217 -231.86812 887.62221
3785.0000 -241.83952 -230.38159 11.45794 2.88336 -230.34471 912.48421
3790.0000 -241.44139 -230.35496 11.08643 2.87413 -230.54223 901.74303
3795.0000 -244.91966 -233.47875 11.44090 2.84111 -231.24891 877.50066
3800.0000 -244.51190 -232.48394 12.02795 2.78580 -232.43259 872.00376
3805.0000 -242.41928 -233.00768 9.41160 2.82649 -231.56173 892.19651
3810.0000 -242.92368 -232.38890 10.53477 2.78060 -232.54375 848.09199
3815.0000 -243.11701 -233.03151 10.08550 2.79202 -232.29945 858.93780
3820.0000 -244.72141 -233.74195 10.97947 2.74036 -233.40490 837.38469
3825.0000 -244.08133 -234.74343 9.33790 2.67857 -234.72733 771.83767
3830.0000 -243.34191 -233.21428 10.12763 2.67287 -234.84937 781.19614
3835.0000 -242.84079 -232.97988 9.86091 2.77123 -232.74436 831.84921
3840.0000 -241.53193 -230.63286 10.89907 2.80116 -232.10378 899.57504
3845.0000 -243.37015 -231.06849 12.30166 2.82317 -231.63283 889.83657
3850.0000 -242.56601 -232.70044 9.86558 2.82427 -231.60928 888.23943
3855.0000 -244.51974 -234.14422 10.37552 2.74557 -233.29341 827.40057
3860.0000 -243.54706 -233.01989 10.52716 2.71055 -234.04303 826.66117
3865.0000 -243.04119 -231.54462 11.49656 2.76656 -232.84435 847.76804
3870.0000 -242.18061 -229.65275 12.52786 2.86123 -230.81827 905.75170
3875.0000 -244.20499 -231.94465 12.26034 2.85221 -231.01136 889.31852
3880.0000 -244.12205 -233.44573 10.67633 2.80660 -231.98749 872.46090
3885.0000 -244.08526 -232.88756 11.19770 2.75155 -233.16555 852.37388
3890.0000 -244.87166 -234.44172 10.42994 2.74248 -233.35966 837.55806
3895.0000 -243.39357 -233.06636 10.32721 2.75044 -233.18933 846.14496
3900.0000 -243.40062 -233.04614 10.35448 2.72062 -233.82740 801.17811
3905.0000 -242.42367 -231.51655 10.90712 2.78562 -232.43642 864.17931
3910.0000 -243.23551 -231.63348 11.60202 2.83021 -231.48222 873.13127
3915.0000 -244.86465 -234.47245 10.39220 2.72152 -233.80824 828.22099
3920.0000 -242.83526 -232.80318 10.03208 2.72042 -233.83163 814.59633
3925.0000 -242.67871 -231.25454 11.42417 2.81069 -231.89982 875.20934
3930.0000 -241.38646 -230.73257 10.65388 2.88242 -230.36477 920.77574
3935.0000 -241.25817 -230.55016 10.70801 2.85697 -230.90946 894.73932
3940.0000 -241.99553 -230.27008 11.72545 2.91851 -229.59254 922.87018
3945.0000 -243.84143 -232.88962 10.95181 2.80853 -231.94606 840.13881
3950.0000 -243.97259 -232.86878 11.10381 2.78612 -232.42572 864.32084
3955.0000 -244.93184 -234.38659 10.54525 2.70663 -234.12689 830.47175
3960.0000 -243.77630 -233.79714 9.97916 2.71678 -233.90967 809.75893
3965.0000 -242.86685 -233.25218 9.61467 2.73096 -233.60609 811.31042
3970.0000 -243.00510 -232.96425 10.04085 2.75981 -232.98885 835.31075
3975.0000 -245.32406 -234.07836 11.24570 2.69735 -234.32534 797.77839
3980.0000 -243.40011 -232.23852 11.16159 2.73430 -233.53473 850.69473
3985.0000 -244.34629 -234.62157 9.72472 2.75434 -233.10571 822.55178
3990.0000 -242.79985 -231.73255 11.06729 2.78222 -232.50918 838.00687
3995.0000 -244.02447 -233.30392 10.72055 2.79220 -232.29553 866.10043
4000.0000 -244.23639 -234.49793 9.73846 2.71632 -233.91945 816.68283
FREEZING PROCESS: loop number 17 T-loop= 828.00000000000000
main_MD> interactions number 17 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08051 -2.86782 0.00127
force_rgl> df(natom) -2.49719 -7.37774 -0.12541
4005.0000 -245.66472 -235.28167 10.38305 2.68107 -234.67385 804.46132
4010.0000 -244.51843 -234.45330 10.06513 2.68439 -234.60270 787.79081
4015.0000 -243.51511 -232.75001 10.76510 2.72676 -233.69613 819.68852
4020.0000 -243.65504 -231.87402 11.78101 2.79790 -232.17355 848.82695
4025.0000 -244.67566 -234.95360 9.72207 2.76692 -232.83655 839.59864
4030.0000 -244.02553 -233.94383 10.08170 2.73057 -233.61449 825.64072
4035.0000 -244.64639 -235.59930 9.04709 2.68400 -234.61114 799.05266
4040.0000 -243.18968 -231.97672 11.21297 2.71271 -233.99664 810.37648
4045.0000 -243.68394 -231.86881 11.81514 2.80933 -231.92900 853.85018
4050.0000 -242.33204 -231.09122 11.24082 2.81952 -231.71084 876.02955
4055.0000 -244.81749 -236.39715 8.42034 2.72393 -233.75652 812.56504
4060.0000 -245.20110 -235.35598 9.84512 2.64262 -235.49671 757.51683
4065.0000 -244.05314 -235.78294 8.27020 2.65305 -235.27337 757.00580
4070.0000 -243.88017 -235.21297 8.66720 2.63269 -235.70910 772.28739
4075.0000 -243.42412 -233.21120 10.21292 2.69775 -234.31694 806.71713
4080.0000 -243.90917 -234.00473 9.90443 2.69343 -234.40940 812.95430
4085.0000 -242.59714 -231.35742 11.23972 2.75161 -233.16419 851.40601
4090.0000 -243.35744 -232.23095 11.12649 2.80168 -232.09273 872.75721
4095.0000 -245.04035 -233.14388 11.89647 2.77847 -232.58948 835.83248
4100.0000 -243.99241 -233.52803 10.46437 2.75714 -233.04581 855.27384
4105.0000 -245.25138 -234.71380 10.53758 2.74819 -233.23749 839.22622
4110.0000 -244.15396 -234.38858 9.76538 2.68520 -234.58534 792.91910
4115.0000 -244.19148 -233.48911 10.70238 2.74707 -233.26137 829.66478
4120.0000 -242.90265 -231.09104 11.81161 2.82236 -231.65019 877.03641
4125.0000 -244.47648 -234.78478 9.69170 2.77162 -232.73610 838.54511
4130.0000 -245.38636 -233.83024 11.55611 2.69160 -234.44851 804.14567
4135.0000 -244.52767 -233.69355 10.83412 2.73664 -233.48461 815.60926
4140.0000 -243.00248 -232.02215 10.98033 2.78815 -232.38223 856.64138
4145.0000 -244.16418 -233.55217 10.61200 2.77482 -232.66758 852.72885
4150.0000 -243.04703 -233.41803 9.62900 2.75172 -233.16181 845.35513
4155.0000 -243.84616 -233.02552 10.82064 2.74887 -233.22290 832.97062
4160.0000 -244.25520 -232.69851 11.55669 2.76195 -232.94298 856.16291
4165.0000 -244.07662 -235.59308 8.48354 2.70776 -234.10270 799.35420
4170.0000 -245.64742 -236.01003 9.63739 2.64806 -235.38019 785.70066
4175.0000 -244.14147 -233.77722 10.36425 2.69609 -234.35235 834.32897
4180.0000 -244.64903 -232.94360 11.70543 2.74076 -233.39649 855.45048
4185.0000 -244.04348 -235.01550 9.02798 2.74876 -233.22515 846.31897
4190.0000 -244.57240 -233.00739 11.56501 2.72131 -233.81260 824.32672
4195.0000 -244.13848 -234.17582 9.96266 2.71778 -233.88811 797.40578
4200.0000 -244.75274 -233.61897 11.13377 2.77113 -232.74657 872.61621
4205.0000 -243.65647 -233.98636 9.67011 2.73347 -233.55236 814.57999
4210.0000 -244.78048 -234.20228 10.57820 2.69057 -234.47058 780.78380
4215.0000 -245.26987 -234.55353 10.71634 2.69392 -234.39883 798.53474
4220.0000 -244.22718 -234.69366 9.53352 2.66906 -234.93084 784.23386
4225.0000 -245.82350 -235.22602 10.59748 2.68266 -234.63970 792.27013
4230.0000 -246.21844 -236.53348 9.68496 2.60273 -236.35037 765.65299
4235.0000 -245.06861 -235.39480 9.67381 2.58079 -236.81994 725.56474
4240.0000 -245.82248 -236.07943 9.74305 2.64396 -235.46791 778.97597
4245.0000 -245.37294 -235.17878 10.19416 2.68063 -234.68317 788.33542
4250.0000 -244.06334 -234.32239 9.74094 2.69066 -234.46862 791.10726
FREEZING PROCESS: loop number 18 T-loop= 803.00000000000000
main_MD> interactions number 18 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30855 0.99618 -0.36116
force_rgl> df(natom) -0.70910 -0.28744 3.47797
4255.0000 -245.66863 -235.23510 10.43353 2.68042 -234.68770 803.21908
4260.0000 -245.48167 -235.54084 9.94083 2.64829 -235.37537 783.54307
4265.0000 -244.59259 -235.32476 9.26783 2.65651 -235.19946 797.56733
4270.0000 -245.29312 -235.11328 10.17984 2.63319 -235.69837 753.26157
4275.0000 -244.18848 -235.93338 8.25510 2.66579 -235.00087 768.85888
4280.0000 -243.81031 -233.68724 10.12307 2.67547 -234.79368 788.01945
4285.0000 -242.22817 -232.34033 9.88784 2.80610 -231.99807 847.94616
4290.0000 -244.25713 -233.23836 11.01877 2.73399 -233.54129 817.63238
4295.0000 -241.64123 -231.62713 10.01410 2.76087 -232.96598 839.17846
4300.0000 -242.81367 -233.35412 9.45956 2.75498 -233.09215 835.64482
4305.0000 -242.26633 -232.76695 9.49937 2.76784 -232.81690 817.68655
4310.0000 -244.30726 -234.53910 9.76815 2.72009 -233.83879 813.23719
4315.0000 -245.45619 -234.12295 11.33324 2.72301 -233.77620 817.50428
4320.0000 -244.53069 -234.81267 9.71802 2.68436 -234.60348 800.58063
4325.0000 -244.05282 -235.14912 8.90370 2.67514 -234.80082 816.45154
4330.0000 -245.40907 -235.54654 9.86253 2.63929 -235.56794 763.51939
4335.0000 -244.43221 -234.29418 10.13802 2.69793 -234.31296 813.48215
4340.0000 -246.10706 -237.15093 8.95613 2.64239 -235.50166 763.19979
4345.0000 -246.04564 -235.46967 10.57597 2.59551 -236.50492 754.68689
4350.0000 -244.54842 -234.81355 9.73487 2.65955 -235.13430 801.49665
4355.0000 -244.65058 -232.55423 12.09635 2.72198 -233.79835 825.71661
4360.0000 -246.53905 -235.29178 11.24727 2.72363 -233.76296 822.94960
4365.0000 -247.13373 -236.59717 10.53657 2.63349 -235.69212 770.06357
4370.0000 -243.66559 -235.37708 8.28852 2.62589 -235.85480 768.43688
4375.0000 -244.82457 -234.27040 10.55417 2.62461 -235.88214 745.32491
4380.0000 -245.54184 -235.58165 9.96019 2.68860 -234.51258 791.99865
4385.0000 -245.24599 -235.90850 9.33750 2.66185 -235.08518 786.74278
4390.0000 -245.52859 -234.97029 10.55830 2.67122 -234.88466 815.23497
4395.0000 -246.50897 -236.77192 9.73705 2.59940 -236.42166 768.63780
4400.0000 -245.05810 -234.70825 10.34984 2.62944 -235.77873 777.55416
4405.0000 -243.92244 -233.77456 10.14788 2.70805 -234.09641 822.34230
4410.0000 -245.45689 -235.56966 9.88723 2.67347 -234.83656 827.66865
4415.0000 -244.07136 -233.44306 10.62830 2.66216 -235.07854 795.38970
4420.0000 -243.44769 -233.13819 10.30950 2.76030 -232.97824 836.70386
4425.0000 -241.93637 -230.76903 11.16734 2.77003 -232.76998 856.98538
4430.0000 -244.48696 -231.95238 12.53458 2.87777 -230.46439 893.82435
4435.0000 -245.84713 -234.90544 10.94170 2.75115 -233.17408 844.44511
4440.0000 -245.02167 -235.48700 9.53467 2.62573 -235.85808 760.25723
4445.0000 -245.28806 -236.25921 9.02886 2.62146 -235.94953 755.10087
4450.0000 -244.56614 -235.19384 9.37230 2.62650 -235.84159 749.10601
4455.0000 -245.87382 -236.89918 8.97464 2.63119 -235.74120 765.29901
4460.0000 -247.09107 -236.53122 10.55985 2.58865 -236.65164 748.61877
4465.0000 -244.33289 -235.07088 9.26201 2.59585 -236.49761 759.95877
4470.0000 -243.99100 -234.11372 9.87728 2.71212 -234.00931 826.06215
4475.0000 -244.76947 -234.32398 10.44550 2.71001 -234.05440 796.09308
4480.0000 -244.88028 -233.42659 11.45369 2.73695 -233.47805 832.57412
4485.0000 -245.98205 -234.90901 11.07304 2.66722 -234.97023 795.90010
4490.0000 -245.50637 -233.71025 11.79612 2.65689 -235.19136 791.46070
4495.0000 -244.72250 -235.91255 8.80996 2.67837 -234.73155 790.24737
4500.0000 -244.91451 -235.42169 9.49283 2.64198 -235.51033 754.07723
FREEZING PROCESS: loop number 19 T-loop= 778.00000000000000
main_MD> interactions number 19 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16030 -0.05043 -4.95913
force_rgl> df(natom) 0.01216 3.63918 1.58754
4505.0000 -246.15813 -235.89789 10.26024 2.63728 -235.61102 768.14630
4510.0000 -247.10382 -237.94986 9.15396 2.57135 -237.02189 732.42642
4515.0000 -246.87050 -237.25786 9.61264 2.56153 -237.23204 740.44152
4520.0000 -246.67728 -236.62798 10.04930 2.55950 -237.27551 747.42006
4525.0000 -245.76588 -236.13566 9.63022 2.60484 -236.30526 769.52962
4530.0000 -244.62842 -235.19922 9.42920 2.65639 -235.20198 800.27913
4535.0000 -243.58530 -233.86403 9.72126 2.70190 -234.22809 819.76527
4540.0000 -245.82717 -234.90472 10.92245 2.71022 -234.04994 815.09880
4545.0000 -245.28802 -236.53135 8.75667 2.65231 -235.28924 761.03017
4550.0000 -246.23185 -236.16601 10.06584 2.59851 -236.44069 744.51197
4555.0000 -246.24526 -236.48766 9.75760 2.60289 -236.34692 741.16715
4560.0000 -246.76671 -237.64596 9.12075 2.56206 -237.22075 735.72199
4565.0000 -246.27043 -237.09798 9.17245 2.60892 -236.21782 764.47368
4570.0000 -247.35551 -238.62245 8.73306 2.55604 -237.34957 751.28212
4575.0000 -247.19173 -238.80544 8.38628 2.54456 -237.59518 722.78592
4580.0000 -246.60527 -237.42436 9.18091 2.48343 -238.90347 669.79754
4585.0000 -246.85164 -237.04494 9.80670 2.57929 -236.85192 764.48745
4590.0000 -246.44432 -236.45487 9.98945 2.59850 -236.44096 757.51604
4595.0000 -246.88658 -236.00423 10.88235 2.59161 -236.58836 757.28633
4600.0000 -245.09743 -234.73524 10.36219 2.62681 -235.83511 770.02521
4605.0000 -243.17780 -233.10653 10.07127 2.69605 -234.35326 822.59082
4610.0000 -244.36607 -234.04686 10.31921 2.71566 -233.93356 813.22030
4615.0000 -243.39396 -233.48361 9.91036 2.73851 -233.44458 836.43045
4620.0000 -242.96138 -232.19947 10.76191 2.77797 -232.60003 842.96740
4625.0000 -242.73682 -231.95879 10.77803 2.84474 -231.17118 897.36769
4630.0000 -243.40373 -233.70068 9.70305 2.78026 -232.55114 853.30983
4635.0000 -245.69007 -236.44288 9.24719 2.66755 -234.96317 774.14870
4640.0000 -245.96390 -235.56946 10.39444 2.61760 -236.03219 765.07122
4645.0000 -244.54908 -235.53347 9.01561 2.66368 -235.04597 792.86601
4650.0000 -244.98605 -235.58669 9.39936 2.63702 -235.61653 772.39789
4655.0000 -244.84201 -235.12481 9.71720 2.62310 -235.91444 757.35276
4660.0000 -244.43009 -234.85971 9.57038 2.66753 -234.96353 788.12391
4665.0000 -245.58458 -235.76775 9.81683 2.64858 -235.36904 761.69583
4670.0000 -245.61152 -234.61416 10.99735 2.62796 -235.81050 792.64157
4675.0000 -246.39579 -235.77693 10.61885 2.67537 -234.79575 828.63497
4680.0000 -244.32454 -234.28948 10.03506 2.69843 -234.30221 808.64771
4685.0000 -245.28028 -235.41303 9.86724 2.68157 -234.66317 801.15830
4690.0000 -244.90184 -232.75367 12.14817 2.70436 -234.17531 824.05780
4695.0000 -244.76535 -234.77500 9.99035 2.68227 -234.64814 796.35504
4700.0000 -243.69519 -234.40121 9.29398 2.69660 -234.34137 819.10036
4705.0000 -245.22458 -235.28252 9.94206 2.66732 -234.96798 773.15608
4710.0000 -242.88969 -232.96190 9.92780 2.76616 -232.85277 836.57478
4715.0000 -245.09393 -234.39392 10.70001 2.72448 -233.74474 848.51647
4720.0000 -245.68799 -236.85569 8.83230 2.63870 -235.58055 798.82981
4725.0000 -245.20275 -235.05732 10.14543 2.64942 -235.35104 774.43826
4730.0000 -245.95593 -235.01074 10.94518 2.63948 -235.56385 769.16395
4735.0000 -244.72650 -233.92125 10.80525 2.70857 -234.08540 825.97501
4740.0000 -245.92600 -234.06839 11.85761 2.68032 -234.68979 786.77565
4745.0000 -244.39603 -235.14688 9.24915 2.65598 -235.21079 794.69747
4750.0000 -245.90488 -235.71384 10.19104 2.64700 -235.40294 782.77747
FREEZING PROCESS: loop number 20 T-loop= 753.00000000000000
main_MD> interactions number 20 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49527 -0.15787 -1.55837
force_rgl> df(natom) -0.20279 -2.59891 -0.97360
4755.0000 -244.22490 -235.45083 8.77407 2.64697 -235.40350 771.84730
4760.0000 -244.33977 -235.79788 8.54189 2.66906 -234.93075 773.36048
4765.0000 -245.05907 -236.38678 8.67229 2.66666 -234.98212 785.28886
4770.0000 -245.78987 -237.22981 8.56006 2.57439 -236.95691 724.28412
4775.0000 -246.25504 -236.47035 9.78469 2.58192 -236.79572 731.81093
4780.0000 -246.16439 -236.33060 9.83379 2.57483 -236.94747 745.06223
4785.0000 -246.13403 -235.99821 10.13582 2.59456 -236.52528 745.92762
4790.0000 -245.28016 -236.85545 8.42470 2.57580 -236.92659 731.34015
4795.0000 -245.20508 -235.95616 9.24891 2.57778 -236.88435 726.61820
4800.0000 -243.88349 -235.31110 8.57239 2.64984 -235.34221 776.69351
4805.0000 -242.31265 -232.80443 9.50823 2.72955 -233.63641 793.86708
4810.0000 -244.33466 -233.20747 11.12718 2.75017 -233.19499 822.03240
4815.0000 -244.92602 -235.04182 9.88420 2.71780 -233.88786 811.51119
4820.0000 -246.16207 -236.56015 9.60192 2.63289 -235.70491 760.89814
4825.0000 -245.66208 -236.13711 9.52498 2.62796 -235.81038 745.39576
4830.0000 -245.15687 -234.94018 10.21669 2.64227 -235.50419 784.98381
4835.0000 -246.90904 -237.27861 9.63043 2.61013 -236.19201 776.19403
4840.0000 -245.77136 -236.64763 9.12373 2.56462 -237.16592 735.49702
4845.0000 -243.73025 -233.33065 10.39960 2.65996 -235.12563 779.74464
4850.0000 -245.92114 -234.69050 11.23063 2.70726 -234.11343 818.66794
4855.0000 -244.48121 -234.09645 10.38476 2.66502 -235.01728 789.68316
4860.0000 -244.98432 -233.98120 11.00312 2.70681 -234.12290 825.71695
4865.0000 -245.42543 -235.07977 10.34566 2.71415 -233.96590 816.54019
4870.0000 -247.58455 -237.66633 9.91822 2.62572 -235.85835 757.12648
4875.0000 -246.75132 -238.45865 8.29267 2.53363 -237.82906 729.65689
4880.0000 -248.85790 -238.09144 10.76646 2.49528 -238.64978 702.56776
4885.0000 -248.07490 -237.84524 10.22966 2.51832 -238.15672 721.74379
4890.0000 -244.43144 -234.85411 9.57734 2.54688 -237.54562 710.84475
4895.0000 -243.30006 -234.20245 9.09761 2.65597 -235.21107 768.67565
4900.0000 -243.53849 -232.71208 10.82641 2.73726 -233.47123 815.83869
4905.0000 -243.09817 -233.21210 9.88607 2.77357 -232.69424 860.64746
4910.0000 -244.21109 -233.89405 10.31704 2.75029 -233.19240 836.87167
4915.0000 -244.95906 -233.36412 11.59494 2.69292 -234.42026 800.02368
4920.0000 -245.60718 -234.98502 10.62217 2.69303 -234.41797 803.89798
4925.0000 -246.06756 -235.81187 10.25569 2.73287 -233.56522 829.59107
4930.0000 -245.30452 -237.09554 8.20898 2.55991 -237.26675 717.23461
4935.0000 -247.10075 -238.35468 8.74607 2.55028 -237.47271 699.74938
4940.0000 -247.60262 -237.83286 9.76976 2.53783 -237.73913 704.55899
4945.0000 -248.30743 -239.24472 9.06271 2.51532 -238.22096 701.42599
4950.0000 -247.06688 -238.95765 8.10922 2.48826 -238.80013 690.42486
4955.0000 -246.48322 -237.29140 9.19181 2.53401 -237.82090 711.13065
4960.0000 -246.94483 -237.83201 9.11282 2.59217 -236.57627 743.58601
4965.0000 -246.28988 -237.34062 8.94926 2.53525 -237.79437 707.62624
4970.0000 -247.27921 -237.98213 9.29707 2.55717 -237.32536 728.19712
4975.0000 -247.84343 -238.37420 9.46923 2.53306 -237.84125 708.17321
4980.0000 -247.25180 -238.61737 8.63443 2.52924 -237.92303 708.41620
4985.0000 -245.58000 -236.79020 8.78980 2.51035 -238.32730 713.45669
4990.0000 -245.73817 -238.15423 7.58395 2.57237 -237.00008 727.01577
4995.0000 -247.21223 -237.86632 9.34591 2.53277 -237.84746 720.96208
5000.0000 -246.38648 -236.65086 9.73562 2.57291 -236.98844 730.55338
FREEZING PROCESS: loop number 21 T-loop= 728.00000000000000
main_MD> interactions number 21 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64070 -3.02757 -1.86282
force_rgl> df(natom) -2.02286 2.87202 5.72207
5005.0000 -246.34122 -236.36849 9.97273 2.57261 -236.99498 740.81892
5010.0000 -247.48082 -237.62162 9.85920 2.57893 -236.85970 756.62323
5015.0000 -246.42554 -236.86730 9.55824 2.57594 -236.92369 736.70505
5020.0000 -246.14764 -236.48827 9.65937 2.60554 -236.29017 753.94624
5025.0000 -246.63509 -236.95558 9.67951 2.56081 -237.24747 722.56450
5030.0000 -249.14963 -238.89307 10.25656 2.48220 -238.92972 695.25628
5035.0000 -246.39726 -237.11984 9.27743 2.51153 -238.30215 700.24200
5040.0000 -247.36059 -238.55042 8.81018 2.54934 -237.49300 716.09351
5045.0000 -247.84584 -238.80539 9.04045 2.48178 -238.93879 677.63164
5050.0000 -248.01975 -238.04562 9.97414 2.46644 -239.26701 670.08521
5055.0000 -247.23759 -237.10652 10.13107 2.55873 -237.29194 744.41822
5060.0000 -245.77579 -235.93272 9.84307 2.61628 -236.06046 766.85657
5065.0000 -246.30113 -235.82762 10.47351 2.65372 -235.25907 775.34515
5070.0000 -244.09273 -233.87939 10.21334 2.65602 -235.20987 779.50274
5075.0000 -244.36518 -234.05637 10.30881 2.73418 -233.53720 800.36874
5080.0000 -245.38693 -234.83403 10.55291 2.71779 -233.88803 803.68607
5085.0000 -244.96121 -235.91437 9.04683 2.67775 -234.74480 769.83645
5090.0000 -247.12625 -238.48080 8.64545 2.57495 -236.94477 730.03456
5095.0000 -248.66918 -239.80458 8.86460 2.48321 -238.90816 687.68660
5100.0000 -248.09257 -239.52813 8.56444 2.46616 -239.27292 675.36655
5105.0000 -248.56352 -238.87358 9.68994 2.43938 -239.84614 666.22933
5110.0000 -246.79589 -237.55592 9.23997 2.54224 -237.64475 719.94419
5115.0000 -245.75767 -235.16693 10.59073 2.62991 -235.76869 775.65526
5120.0000 -245.55712 -235.89186 9.66526 2.65006 -235.33753 780.21259
5125.0000 -245.20974 -236.27415 8.93559 2.61110 -236.17126 753.88738
5130.0000 -245.55648 -235.51066 10.04582 2.61143 -236.16415 751.08943
5135.0000 -247.04605 -237.23256 9.81348 2.59509 -236.51378 736.80990
5140.0000 -244.39738 -235.43537 8.96201 2.60226 -236.36046 760.29635
5145.0000 -247.64699 -238.10894 9.53805 2.60489 -236.30418 758.19442
5150.0000 -248.35035 -237.90165 10.44870 2.53550 -237.78909 731.47005
5155.0000 -247.03559 -238.25861 8.77698 2.50001 -238.54862 699.55214
5160.0000 -246.95683 -237.53997 9.41686 2.53937 -237.70623 706.56707
5165.0000 -245.51255 -237.84319 7.66936 2.57351 -236.97576 731.78675
5170.0000 -245.33549 -236.31333 9.02215 2.57666 -236.90818 739.78673
5175.0000 -246.94901 -237.19858 9.75043 2.62316 -235.91314 757.82562
5180.0000 -245.97374 -235.58792 10.38583 2.61811 -236.02115 760.93543
5185.0000 -246.08297 -235.34230 10.74067 2.62513 -235.87096 771.22990
5190.0000 -246.36335 -237.53594 8.82741 2.58442 -236.74226 721.40121
5195.0000 -246.52964 -237.57359 8.95605 2.57339 -236.97816 732.44455
5200.0000 -248.37533 -238.73287 9.64247 2.55973 -237.27053 726.75659
5205.0000 -247.88192 -237.32771 10.55422 2.49837 -238.58371 691.27037
5210.0000 -246.54375 -237.08285 9.46090 2.57822 -236.87493 757.99489
5215.0000 -247.28418 -237.92584 9.35834 2.58155 -236.80362 749.60948
5220.0000 -248.29576 -238.75933 9.53643 2.51439 -238.24081 710.11664
5225.0000 -246.64022 -236.70368 9.93654 2.48394 -238.89255 698.23715
5230.0000 -246.58485 -237.28321 9.30164 2.54892 -237.50182 742.41851
5235.0000 -248.94230 -239.72649 9.21580 2.51283 -238.27422 702.76283
5240.0000 -247.13773 -237.79463 9.34309 2.49012 -238.76016 679.79261
5245.0000 -246.28362 -238.19743 8.08619 2.53879 -237.71860 737.26735
5250.0000 -245.60607 -237.43622 8.16985 2.52080 -238.10358 686.97142
FREEZING PROCESS: loop number 22 T-loop= 703.00000000000000
main_MD> interactions number 22 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.68595 -9.73247 2.74370
force_rgl> df(natom) -0.56475 1.65165 -0.31378
5255.0000 -245.68702 -236.68450 9.00252 2.56048 -237.25452 713.11723
5260.0000 -246.72780 -238.13080 8.59700 2.54138 -237.66334 720.22802
5265.0000 -247.63281 -237.31276 10.32005 2.53527 -237.79398 708.24573
5270.0000 -247.14739 -238.36654 8.78084 2.54082 -237.67526 723.66363
5275.0000 -245.27159 -236.44574 8.82585 2.53321 -237.83808 725.95982
5280.0000 -246.65503 -236.25923 10.39579 2.59430 -236.53066 739.23741
5285.0000 -247.39517 -238.72201 8.67316 2.57631 -236.91571 740.25794
5290.0000 -247.19755 -238.39596 8.80159 2.47911 -238.99584 683.79989
5295.0000 -247.81368 -236.77950 11.03418 2.57782 -236.88337 769.27202
5300.0000 -247.61027 -238.95959 8.65068 2.54578 -237.56920 718.69880
5305.0000 -246.72495 -237.17104 9.55391 2.48894 -238.78558 681.17018
5310.0000 -246.10804 -236.85169 9.25635 2.55947 -237.27620 728.52651
5315.0000 -246.69239 -237.08998 9.60240 2.55743 -237.31986 730.42940
5320.0000 -247.22817 -238.50212 8.72605 2.54042 -237.68374 717.76932
5325.0000 -247.82350 -239.99404 7.82945 2.45908 -239.42453 681.59665
5330.0000 -246.44446 -237.45799 8.98647 2.49603 -238.63375 716.58237
5335.0000 -246.92346 -238.44214 8.48132 2.51129 -238.30727 722.22332
5340.0000 -248.45288 -239.71093 8.74195 2.46001 -239.40457 678.88048
5345.0000 -248.99466 -239.60337 9.39128 2.46244 -239.35262 667.50918
5350.0000 -248.11745 -240.18588 7.93157 2.46520 -239.29348 684.59191
5355.0000 -248.21206 -239.20676 9.00530 2.47736 -239.03324 679.44528
5360.0000 -246.62966 -237.85091 8.77875 2.49696 -238.61392 703.85321
5365.0000 -247.16202 -237.58788 9.57414 2.50691 -238.40087 707.36903
5370.0000 -248.12429 -238.09356 10.03073 2.52486 -238.01685 708.74278
5375.0000 -247.12437 -237.39583 9.72854 2.56345 -237.19091 746.06162
5380.0000 -248.58821 -237.30522 11.28298 2.56945 -237.06255 745.86662
5385.0000 -246.39517 -236.06659 10.32857 2.58683 -236.69059 745.88780
5390.0000 -247.40978 -237.56553 9.84425 2.52051 -238.10992 691.66882
5395.0000 -246.35483 -237.32469 9.03013 2.56663 -237.12287 740.34808
5400.0000 -246.74682 -236.76395 9.98287 2.55303 -237.41401 726.83550
5405.0000 -248.78287 -241.31019 7.47267 2.50554 -238.43027 695.55786
5410.0000 -248.35916 -240.24703 8.11213 2.39820 -240.72742 631.34843
5415.0000 -246.52350 -238.12642 8.39708 2.45069 -239.60406 653.40136
5420.0000 -247.78587 -239.13248 8.65339 2.51271 -238.27686 677.25307
5425.0000 -246.50421 -238.76034 7.74387 2.48248 -238.92378 663.70186
5430.0000 -247.56628 -238.29232 9.27396 2.45832 -239.44082 662.75795
5435.0000 -245.93962 -237.76771 8.17192 2.53069 -237.89203 714.74277
5440.0000 -247.48223 -239.30804 8.17419 2.50041 -238.53994 696.59458
5445.0000 -248.09279 -238.50406 9.58873 2.49919 -238.56620 722.42490
5450.0000 -247.55295 -236.71992 10.83303 2.50693 -238.40053 711.54657
5455.0000 -245.99620 -235.70340 10.29279 2.56364 -237.18682 747.53437
5460.0000 -246.36453 -236.76208 9.60245 2.58910 -236.64196 747.90832
5465.0000 -246.54105 -237.15930 9.38175 2.57118 -237.02550 723.26718
5470.0000 -246.91119 -238.26147 8.64972 2.52864 -237.93587 703.19882
5475.0000 -248.22177 -239.36162 8.86015 2.50355 -238.47288 690.14708
5480.0000 -247.69187 -239.00323 8.68864 2.48274 -238.91817 673.10693
5485.0000 -248.57927 -239.17529 9.40398 2.47651 -239.05145 677.96802
5490.0000 -247.17022 -238.67705 8.49317 2.50382 -238.46705 686.86682
5495.0000 -246.98759 -237.42124 9.56635 2.55040 -237.47024 723.59701
5500.0000 -247.28393 -238.78923 8.49470 2.50212 -238.50343 707.69289
FREEZING PROCESS: loop number 23 T-loop= 678.00000000000000
main_MD> interactions number 23 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90758 -0.06179 0.10508
force_rgl> df(natom) 0.96177 -0.55873 6.39799
5505.0000 -247.84711 -239.81410 8.03301 2.45033 -239.61187 668.67286
5510.0000 -247.63615 -238.72139 8.91476 2.47979 -238.98139 688.15511
5515.0000 -247.15618 -238.68923 8.46696 2.51521 -238.22336 716.13989
5520.0000 -249.12153 -240.75474 8.36679 2.42106 -240.23818 643.07828
5525.0000 -247.09329 -239.46698 7.62631 2.41047 -240.46468 646.02490
5530.0000 -248.83475 -240.06785 8.76690 2.45650 -239.47980 673.09556
5535.0000 -246.83144 -238.14243 8.68901 2.47594 -239.06372 684.94780
5540.0000 -247.42547 -238.72207 8.70340 2.49585 -238.63757 686.48555
5545.0000 -246.14917 -238.77585 7.37332 2.51466 -238.23515 695.45422
5550.0000 -248.43616 -240.38170 8.05446 2.45380 -239.53755 664.64001
5555.0000 -249.46512 -240.83829 8.62683 2.37670 -241.18751 614.88288
5560.0000 -249.30882 -239.63405 9.67477 2.47238 -239.13980 678.52417
5565.0000 -249.08980 -240.97897 8.11082 2.42802 -240.08925 655.98279
5570.0000 -246.21533 -239.71525 6.50008 2.43507 -239.93836 648.73300
5575.0000 -247.30771 -238.71121 8.59650 2.45852 -239.43646 658.60278
5580.0000 -248.21270 -240.46103 7.75167 2.44599 -239.70459 656.56144
5585.0000 -248.99481 -240.96517 8.02964 2.44529 -239.71960 655.97997
5590.0000 -247.42725 -238.73766 8.68959 2.47660 -239.04968 682.81476
5595.0000 -249.39107 -240.44975 8.94132 2.50951 -238.34537 702.56197
5600.0000 -248.93692 -238.89266 10.04426 2.48896 -238.78497 686.41789
5605.0000 -246.81227 -237.96792 8.84434 2.48518 -238.86605 679.43519
5610.0000 -247.07552 -238.28726 8.78826 2.52467 -238.02088 681.49020
5615.0000 -245.89888 -237.27759 8.62129 2.50742 -238.39008 696.80467
5620.0000 -250.01050 -240.87898 9.13152 2.47702 -239.04049 678.93415
5625.0000 -249.20510 -239.73488 9.47021 2.40093 -240.66886 631.90293
5630.0000 -248.88899 -239.51234 9.37664 2.45979 -239.40925 669.57091
5635.0000 -246.90788 -237.90737 9.00052 2.53204 -237.86309 717.34368
5640.0000 -248.79198 -239.75086 9.04112 2.49593 -238.63589 691.67639
5645.0000 -247.19438 -238.25463 8.93976 2.46170 -239.36835 648.89825
5650.0000 -248.18460 -239.03172 9.15289 2.50967 -238.34189 697.85673
5655.0000 -246.30523 -235.99725 10.30798 2.52766 -237.95681 711.68213
5660.0000 -246.85974 -238.77178 8.08796 2.56782 -237.09739 726.08939
5665.0000 -247.05610 -238.06497 8.99113 2.49037 -238.75483 674.33264
5670.0000 -246.68709 -237.11336 9.57373 2.53905 -237.71304 702.54571
5675.0000 -246.52752 -237.66800 8.85952 2.54984 -237.48231 718.73133
5680.0000 -248.37596 -239.78710 8.58886 2.49401 -238.67709 692.52462
5685.0000 -247.90799 -239.17358 8.73442 2.46907 -239.21082 701.07209
5690.0000 -247.88763 -238.72760 9.16003 2.46622 -239.27175 702.75440
5695.0000 -246.89240 -238.84602 8.04638 2.46823 -239.22870 679.15968
5700.0000 -248.10305 -238.95267 9.15037 2.50309 -238.48268 714.93155
5705.0000 -248.24474 -240.33192 7.91283 2.43906 -239.85287 665.63850
5710.0000 -248.44016 -240.68159 7.75858 2.42140 -240.23088 649.73384
5715.0000 -248.23832 -239.77100 8.46732 2.46742 -239.24611 697.01737
5720.0000 -248.33401 -239.43357 8.90044 2.45232 -239.56924 690.66161
5725.0000 -247.75605 -238.75381 9.00225 2.49310 -238.69640 676.48964
5730.0000 -248.52301 -237.41288 11.11013 2.53573 -237.78424 705.50972
5735.0000 -246.54494 -238.58349 7.96145 2.53084 -237.88884 729.23773
5740.0000 -248.12077 -240.73083 7.38994 2.44223 -239.78504 664.57469
5745.0000 -250.00692 -242.03600 7.97092 2.37529 -241.21769 614.91571
5750.0000 -248.70024 -240.83148 7.86876 2.35513 -241.64913 603.76961
FREEZING PROCESS: loop number 24 T-loop= 653.00000000000000
main_MD> interactions number 24 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51722 -1.43682 -4.62595
force_rgl> df(natom) -0.80793 -2.93130 0.90694
5755.0000 -249.32344 -240.91966 8.40378 2.38675 -240.97240 628.86481
5760.0000 -248.60731 -241.03462 7.57269 2.39115 -240.87816 629.66306
5765.0000 -248.29338 -240.73296 7.56042 2.37784 -241.16300 638.75423
5770.0000 -249.73681 -241.35475 8.38206 2.39105 -240.88040 623.67346
5775.0000 -248.14573 -240.27413 7.87160 2.37487 -241.22670 635.01058
5780.0000 -249.67783 -241.29854 8.37929 2.39033 -240.89582 632.64045
5785.0000 -248.10221 -238.71730 9.38491 2.43271 -239.98875 647.00575
5790.0000 -248.13988 -240.96797 7.17191 2.44573 -239.71016 656.78458
5795.0000 -248.42389 -238.58430 9.83959 2.42248 -240.20779 656.56703
5800.0000 -247.93277 -240.25792 7.67485 2.46206 -239.36074 673.59171
5805.0000 -248.56581 -239.68027 8.88554 2.40401 -240.60306 646.22464
5810.0000 -249.83212 -240.59467 9.23745 2.40188 -240.64866 653.10706
5815.0000 -248.85728 -239.75348 9.10380 2.42014 -240.25784 671.22744
5820.0000 -246.56221 -238.66828 7.89394 2.44975 -239.62409 642.09356
5825.0000 -247.37858 -238.53074 8.84783 2.51826 -238.15794 698.68713
5830.0000 -248.01605 -239.53251 8.48354 2.47661 -239.04939 659.56538
5835.0000 -248.56792 -240.08500 8.48292 2.43401 -239.96101 633.52261
5840.0000 -248.50025 -240.37162 8.12863 2.42259 -240.20544 636.30128
5845.0000 -247.35963 -238.48038 8.87925 2.45347 -239.54464 633.58947
5850.0000 -248.70914 -239.73991 8.96923 2.44797 -239.66225 667.69380
5855.0000 -247.95084 -239.73641 8.21443 2.44283 -239.77230 658.69048
5860.0000 -247.39566 -239.01177 8.38389 2.45364 -239.54091 656.54223
5865.0000 -248.50578 -240.90763 7.59816 2.47082 -239.17317 666.45810
5870.0000 -248.98642 -241.12714 7.85928 2.37100 -241.30948 608.84054
5875.0000 -248.77747 -241.27336 7.50411 2.38777 -240.95051 617.36482
5880.0000 -249.59695 -241.56972 8.02723 2.38215 -241.07082 613.30602
5885.0000 -249.08258 -241.01390 8.06868 2.37529 -241.21761 632.07608
5890.0000 -249.72269 -241.57118 8.15152 2.39198 -240.86042 619.99591
5895.0000 -247.57143 -239.37537 8.19606 2.38676 -240.97228 614.84137
5900.0000 -248.60353 -239.42058 9.18295 2.46480 -239.30207 646.96024
5905.0000 -248.04853 -239.96232 8.08621 2.42676 -240.11613 674.40625
5910.0000 -249.51561 -241.40369 8.11192 2.40445 -240.59369 650.40513
5915.0000 -249.58370 -240.95361 8.63009 2.37498 -241.22435 652.08388
5920.0000 -249.47126 -240.91745 8.55381 2.38985 -240.90609 658.61507
5925.0000 -249.60339 -240.82429 8.77911 2.37670 -241.18755 665.06290
5930.0000 -247.65501 -239.03778 8.61723 2.47584 -239.06587 686.97186
5935.0000 -248.15829 -239.44407 8.71422 2.47130 -239.16307 685.43069
5940.0000 -249.17811 -240.02892 9.14919 2.43483 -239.94342 648.58367
5945.0000 -247.08332 -238.30256 8.78076 2.44521 -239.72140 644.03592
5950.0000 -247.10828 -239.70551 7.40277 2.47303 -239.12594 677.69671
5955.0000 -248.22077 -240.38636 7.83441 2.42232 -240.21118 638.72827
5960.0000 -247.16489 -238.79676 8.36813 2.38902 -240.92375 624.39765
5965.0000 -247.53942 -238.75281 8.78661 2.48768 -238.81239 684.50876
5970.0000 -246.85063 -238.34306 8.50757 2.50207 -238.50459 681.98834
5975.0000 -246.18739 -238.54804 7.63935 2.51162 -238.30012 677.93468
5980.0000 -247.04235 -238.10387 8.93849 2.51152 -238.30219 680.94756
5985.0000 -247.55523 -238.84871 8.70652 2.53693 -237.75851 694.21628
5990.0000 -247.70647 -239.66049 8.04598 2.48144 -238.94594 672.80636
5995.0000 -248.31962 -239.23360 9.08602 2.45926 -239.42065 651.27894
6000.0000 -249.17656 -239.96002 9.21654 2.44945 -239.63052 700.84787
FREEZING PROCESS: loop number 25 T-loop= 628.00000000000000
main_MD> interactions number 25 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02912 -0.77547 -0.54266
force_rgl> df(natom) -0.33554 -1.02001 0.69160
6005.0000 -249.19449 -241.97056 7.22394 2.42608 -240.13075 661.36779
6010.0000 -249.12187 -241.65122 7.47065 2.28418 -243.16745 564.83921
6015.0000 -249.90025 -241.65443 8.24582 2.34896 -241.78123 601.72066
6020.0000 -248.10131 -241.41066 6.69065 2.35903 -241.56564 600.38279
6025.0000 -249.55282 -240.87552 8.67730 2.36447 -241.44919 609.18194
6030.0000 -249.35424 -240.82538 8.52886 2.37840 -241.15120 625.72806
6035.0000 -247.98212 -239.69138 8.29074 2.40427 -240.59747 646.53183
6040.0000 -247.90406 -240.36020 7.54386 2.44406 -239.74593 652.18891
6045.0000 -248.68588 -241.95732 6.72856 2.39966 -240.69604 628.94053
6050.0000 -248.20272 -241.15037 7.05235 2.38727 -240.96122 637.41560
6055.0000 -248.38150 -241.47202 6.90948 2.40745 -240.52940 654.81345
6060.0000 -249.79148 -242.31425 7.47723 2.32421 -242.31082 598.05313
6065.0000 -249.07767 -240.97005 8.10762 2.36504 -241.43698 618.28891
6070.0000 -250.10233 -243.18400 6.91833 2.31251 -242.56121 586.97897
6075.0000 -250.17009 -242.88870 7.28139 2.29002 -243.04245 573.99372
6080.0000 -249.86264 -242.96663 6.89601 2.29518 -242.93199 567.66750
6085.0000 -249.75305 -242.50969 7.24336 2.32254 -242.34653 578.47474
6090.0000 -249.23514 -241.38712 7.84803 2.34918 -241.77647 618.35292
6095.0000 -247.87404 -240.33062 7.54343 2.36051 -241.53390 623.40471
6100.0000 -247.93220 -240.49094 7.44125 2.43110 -240.02340 647.52331
6105.0000 -248.47868 -239.38677 9.09191 2.44772 -239.66763 653.31670
6110.0000 -247.83505 -238.63990 9.19515 2.48018 -238.97293 686.49452
6115.0000 -246.88089 -238.69543 8.18546 2.51086 -238.31646 702.17049
6120.0000 -247.76823 -240.64266 7.12557 2.45794 -239.44900 648.20769
6125.0000 -249.54427 -241.92113 7.62314 2.36913 -241.34946 608.80626
6130.0000 -248.66249 -240.83107 7.83142 2.37160 -241.29662 631.27299
6135.0000 -249.16883 -241.35032 7.81851 2.37656 -241.19055 613.27206
6140.0000 -249.95688 -241.26644 8.69044 2.39906 -240.70902 611.52198
6145.0000 -248.69575 -240.53716 8.15859 2.38772 -240.95159 632.34263
6150.0000 -247.71191 -239.17013 8.54178 2.43276 -239.98775 652.06495
6155.0000 -248.33699 -240.61841 7.71857 2.41203 -240.43144 622.57811
6160.0000 -247.24575 -238.96347 8.28228 2.45932 -239.41930 669.31832
6165.0000 -249.23860 -240.45470 8.78391 2.43313 -239.97994 666.24637
6170.0000 -248.17983 -240.10036 8.07946 2.43590 -239.92061 647.04366
6175.0000 -246.68196 -238.18049 8.50147 2.44543 -239.71665 649.56189
6180.0000 -247.76061 -238.45564 9.30497 2.50046 -238.53898 702.97694
6185.0000 -248.80060 -240.85400 7.94660 2.44212 -239.78740 655.23144
6190.0000 -250.81558 -243.32993 7.48564 2.31795 -242.44476 598.71198
6195.0000 -250.27383 -243.36080 6.91303 2.30467 -242.72902 577.43297
6200.0000 -249.13936 -240.88536 8.25399 2.32969 -242.19345 604.85872
6205.0000 -248.82485 -241.04902 7.77583 2.39869 -240.71686 636.00003
6210.0000 -248.58339 -240.31805 8.26534 2.39729 -240.74686 628.20568
6215.0000 -248.28285 -239.24242 9.04043 2.45748 -239.45879 675.75768
6220.0000 -247.94777 -238.85022 9.09755 2.45191 -239.57795 666.44863
6225.0000 -249.97199 -241.11164 8.86035 2.44190 -239.79210 661.56937
6230.0000 -250.09886 -241.34703 8.75183 2.35921 -241.56179 613.84072
6235.0000 -248.49108 -240.45164 8.03943 2.38629 -240.98219 631.00111
6240.0000 -248.20446 -239.85930 8.34516 2.41550 -240.35723 631.48646
6245.0000 -248.69734 -241.95299 6.74435 2.40257 -240.63391 610.07575
6250.0000 -249.46564 -241.09612 8.36952 2.34328 -241.90278 575.14255
FREEZING PROCESS: loop number 26 T-loop= 603.00000000000000
main_MD> interactions number 26 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02104 2.95872 -3.68211
force_rgl> df(natom) -0.61146 1.77934 2.30504
6255.0000 -250.09516 -242.60664 7.48853 2.34207 -241.92866 582.69484
6260.0000 -250.22685 -243.19781 7.02904 2.29891 -242.85232 556.52128
6265.0000 -249.48953 -242.78352 6.70601 2.29695 -242.89425 579.93990
6270.0000 -249.38904 -242.57459 6.81445 2.30523 -242.71692 572.05402
6275.0000 -249.86311 -242.29172 7.57140 2.33970 -241.97928 579.57097
6280.0000 -249.70526 -241.21145 8.49380 2.38472 -241.01596 624.77980
6285.0000 -251.11842 -243.13951 7.97891 2.34541 -241.85700 614.71178
6290.0000 -251.76778 -243.64779 8.11999 2.25722 -243.74437 566.64262
6295.0000 -249.06719 -242.14816 6.91903 2.31360 -242.53783 576.03257
6300.0000 -250.48780 -242.47795 8.00985 2.29297 -242.97935 584.63390
6305.0000 -249.98690 -242.40556 7.58133 2.30872 -242.64238 595.43626
6310.0000 -250.04802 -242.68847 7.35955 2.29655 -242.90271 580.61899
6315.0000 -247.81019 -240.56347 7.24671 2.35785 -241.59083 601.36418
6320.0000 -249.92186 -240.75038 9.17148 2.38003 -241.11621 620.35338
6325.0000 -250.30367 -242.67548 7.62819 2.36401 -241.45907 627.14167
6330.0000 -250.04246 -242.98036 7.06210 2.32385 -242.31851 613.02555
6335.0000 -252.38830 -243.63393 8.75437 2.26274 -243.62619 602.40750
6340.0000 -252.40748 -243.77297 8.63451 2.22437 -244.44749 586.38623
6345.0000 -252.96313 -244.13116 8.83197 2.20803 -244.79719 589.39978
6350.0000 -253.24917 -244.99422 8.25495 2.22611 -244.41022 597.81853
6355.0000 -252.10152 -243.71439 8.38713 2.25270 -243.84122 582.29606
6360.0000 -250.05371 -242.47494 7.57877 2.28109 -243.23361 601.34233
6365.0000 -249.23428 -242.51409 6.72019 2.31281 -242.55471 596.59401
6370.0000 -250.21525 -241.62631 8.58894 2.33095 -242.16658 594.47622
6375.0000 -250.30823 -242.11990 8.18833 2.35305 -241.69367 623.30894
6380.0000 -250.06721 -243.13979 6.92742 2.31692 -242.46688 585.75984
6385.0000 -248.83957 -241.54094 7.29863 2.32641 -242.26373 585.51851
6390.0000 -249.13221 -241.56134 7.57088 2.38850 -240.93500 632.78176
6395.0000 -249.00800 -241.09073 7.91727 2.36002 -241.54453 601.95690
6400.0000 -249.70339 -242.51312 7.19027 2.34621 -241.84005 595.80629
6405.0000 -250.11493 -242.74345 7.37148 2.33326 -242.11703 603.53639
6410.0000 -251.66110 -244.12467 7.53643 2.25090 -243.87975 567.89658
6415.0000 -251.42552 -243.63551 7.79001 2.25103 -243.87682 577.62390
6420.0000 -249.15524 -242.87825 6.27699 2.27959 -243.26572 593.50221
6425.0000 -250.94969 -243.92074 7.02895 2.31341 -242.54192 604.43256
6430.0000 -250.55957 -243.26636 7.29321 2.25984 -243.68830 567.43755
6435.0000 -250.80171 -242.89757 7.90414 2.31676 -242.47017 592.31900
6440.0000 -249.05850 -240.88613 8.17237 2.35518 -241.64812 600.52798
6445.0000 -249.12913 -240.90570 8.22343 2.38406 -241.03005 614.42704
6450.0000 -248.55472 -240.80151 7.75322 2.38630 -240.98204 618.01799
6455.0000 -249.16186 -241.54654 7.61532 2.35424 -241.66817 609.72791
6460.0000 -249.84801 -243.00430 6.84371 2.32759 -242.23837 566.04071
6465.0000 -251.06419 -243.52492 7.53927 2.30526 -242.71624 593.07913
6470.0000 -251.56990 -244.29923 7.27067 2.26312 -243.61817 572.18734
6475.0000 -249.62258 -241.84221 7.78037 2.28763 -243.09360 570.83722
6480.0000 -249.15930 -241.90231 7.25698 2.33263 -242.13070 593.96956
6485.0000 -250.28989 -243.43684 6.85304 2.30497 -242.72254 586.67325
6490.0000 -250.02951 -242.85936 7.17015 2.30275 -242.77013 587.37449
6495.0000 -249.96537 -242.55508 7.41029 2.31807 -242.44216 586.12469
6500.0000 -248.74577 -241.02832 7.71746 2.34578 -241.84912 593.66166
FREEZING PROCESS: loop number 27 T-loop= 578.00000000000000
main_MD> interactions number 27 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.61933 -1.67594 -0.14636
force_rgl> df(natom) -1.76144 -0.61325 2.48444
6505.0000 -249.46007 -242.29280 7.16727 2.31506 -242.50652 585.32686
6510.0000 -249.27304 -241.33856 7.93447 2.36285 -241.48381 599.52891
6515.0000 -249.97635 -242.04019 7.93616 2.32270 -242.34301 590.06698
6520.0000 -249.97370 -243.33924 6.63445 2.31460 -242.51644 569.46415
6525.0000 -249.83665 -241.33971 8.49693 2.32472 -242.29984 585.06953
6530.0000 -249.01391 -241.11733 7.89659 2.36545 -241.42818 608.08641
6535.0000 -251.03584 -241.98055 9.05529 2.36150 -241.51272 597.73276
6540.0000 -248.40741 -239.58801 8.81940 2.38997 -240.90340 630.10474
6545.0000 -249.06973 -242.05668 7.01305 2.40856 -240.50563 628.82647
6550.0000 -250.17435 -243.28109 6.89326 2.33332 -242.11578 584.20380
6555.0000 -250.17424 -242.42577 7.74847 2.32119 -242.37547 580.06562
6560.0000 -249.95491 -242.75972 7.19519 2.32072 -242.38540 595.06944
6565.0000 -249.36987 -241.52887 7.84100 2.37233 -241.28095 604.31629
6570.0000 -248.68101 -240.57795 8.10306 2.38473 -241.01564 597.20894
6575.0000 -249.49664 -242.45919 7.03745 2.35167 -241.72310 613.60717
6580.0000 -250.29263 -243.77933 6.51331 2.26096 -243.66431 547.57912
6585.0000 -249.46759 -242.85420 6.61338 2.27773 -243.30558 559.44379
6590.0000 -250.23798 -243.11241 7.12557 2.28668 -243.11402 561.97348
6595.0000 -250.09505 -241.94422 8.15083 2.28495 -243.15097 586.40277
6600.0000 -249.00104 -241.54467 7.45636 2.37972 -241.12281 631.58964
6605.0000 -251.37756 -243.95737 7.42019 2.29348 -242.96843 564.49831
6610.0000 -250.28742 -243.33676 6.95066 2.31005 -242.61386 582.88970
6615.0000 -251.00166 -242.90015 8.10151 2.28750 -243.09637 559.72593
6620.0000 -250.17883 -242.19554 7.98328 2.30382 -242.74724 586.26480
6625.0000 -250.83379 -242.31585 8.51794 2.30998 -242.61536 587.71453
6630.0000 -250.82871 -242.20571 8.62300 2.32870 -242.21461 588.68844
6635.0000 -249.52837 -243.36542 6.16296 2.30389 -242.74574 590.36112
6640.0000 -249.26200 -242.57929 6.68271 2.29519 -242.93183 584.11661
6645.0000 -250.09769 -241.72571 8.37198 2.31045 -242.60516 584.31450
6650.0000 -249.16967 -241.75610 7.41357 2.34822 -241.79687 598.93747
6655.0000 -250.55596 -241.98038 8.57559 2.32754 -242.23963 605.66001
6660.0000 -250.17882 -242.32855 7.85027 2.30684 -242.68243 588.67914
6665.0000 -252.50243 -243.26125 9.24118 2.28874 -243.06985 599.11894
6670.0000 -251.70626 -244.21053 7.49573 2.26685 -243.53829 597.17480
6675.0000 -251.58832 -244.00889 7.57943 2.27225 -243.42281 603.36005
6680.0000 -251.31886 -244.22288 7.09598 2.26273 -243.62644 581.21174
6685.0000 -251.02453 -243.23427 7.79025 2.26041 -243.67620 560.56551
6690.0000 -250.75775 -242.99439 7.76336 2.30095 -242.80852 614.99420
6695.0000 -251.08302 -244.50879 6.57423 2.23829 -244.14960 555.10202
6700.0000 -251.43445 -244.51430 6.92015 2.24907 -243.91878 572.62761
6705.0000 -250.72099 -243.44699 7.27400 2.24699 -243.96326 580.24174
6710.0000 -250.76112 -244.38919 6.37193 2.21803 -244.58308 523.29019
6715.0000 -250.31526 -242.67326 7.64201 2.25766 -243.73506 541.32545
6720.0000 -247.79402 -240.65481 7.13922 2.34973 -241.76461 620.62663
6725.0000 -249.83213 -242.32141 7.51072 2.36319 -241.47658 605.47507
6730.0000 -249.24969 -242.10672 7.14298 2.34089 -241.95391 586.87240
6735.0000 -249.39077 -241.07956 8.31120 2.34665 -241.83063 582.66632
6740.0000 -249.81465 -242.04393 7.77071 2.35568 -241.63735 589.27653
6745.0000 -250.25804 -244.07086 6.18719 2.29688 -242.89574 548.88911
6750.0000 -250.07118 -244.74369 5.32749 2.21330 -244.68434 504.27224
FREEZING PROCESS: loop number 28 T-loop= 553.00000000000000
main_MD> interactions number 28 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61862 -0.35841 -0.90003
force_rgl> df(natom) -2.17607 1.24696 0.23097
6755.0000 -251.34865 -244.33737 7.01128 2.22540 -244.42530 518.60676
6760.0000 -251.47873 -245.22913 6.24960 2.23219 -244.28011 527.76739
6765.0000 -251.99500 -244.83742 7.15759 2.20701 -244.81902 529.37024
6770.0000 -252.32799 -245.17601 7.15198 2.18573 -245.27427 546.42459
6775.0000 -252.71375 -245.41377 7.29998 2.17050 -245.60021 529.51963
6780.0000 -252.58833 -246.27574 6.31259 2.16009 -245.82304 528.97371
6785.0000 -252.43622 -245.52083 6.91539 2.16285 -245.76390 540.01360
6790.0000 -252.94578 -245.87439 7.07139 2.18442 -245.30238 562.39027
6795.0000 -252.92534 -245.28261 7.64273 2.18255 -245.34243 552.61850
6800.0000 -253.28410 -246.77226 6.51184 2.20274 -244.91021 581.65920
6805.0000 -253.12818 -246.06922 7.05896 2.12130 -246.65308 529.12396
6810.0000 -253.07537 -245.30235 7.77302 2.19071 -245.16776 586.31447
6815.0000 -253.35917 -246.01006 7.34912 2.14994 -246.04019 544.34521
6820.0000 -251.39483 -244.34617 7.04866 2.19327 -245.11289 559.81821
6825.0000 -253.22376 -245.81155 7.41221 2.16113 -245.80075 534.47185
6830.0000 -252.55591 -245.49732 7.05859 2.15038 -246.03094 521.56023
6835.0000 -252.04590 -245.11656 6.92934 2.21063 -244.74150 575.65844
6840.0000 -252.42140 -245.14102 7.28039 2.18971 -245.18926 545.94547
6845.0000 -253.31796 -246.77760 6.54036 2.16802 -245.65323 543.38122
6850.0000 -252.39590 -245.83762 6.55828 2.13758 -246.30474 536.88478
6855.0000 -252.76318 -246.05209 6.71109 2.17503 -245.50328 543.84673
6860.0000 -252.63206 -245.63662 6.99545 2.14148 -246.22124 513.68776
6865.0000 -251.91578 -245.12781 6.78796 2.15899 -245.84654 523.67368
6870.0000 -253.40033 -246.21789 7.18244 2.19836 -245.00407 561.33247
6875.0000 -253.18413 -246.20289 6.98124 2.15231 -245.98962 533.53031
6880.0000 -253.88653 -247.01451 6.87202 2.14394 -246.16866 543.52184
6885.0000 -252.49814 -246.21049 6.28766 2.10997 -246.89563 509.32002
6890.0000 -253.76479 -246.19885 7.56595 2.15219 -245.99210 551.62285
6895.0000 -252.10925 -245.47802 6.63123 2.15679 -245.89362 531.41797
6900.0000 -252.08761 -244.93718 7.15043 2.17121 -245.58516 563.06126
6905.0000 -253.54178 -246.73698 6.80481 2.15576 -245.91561 546.17944
6910.0000 -253.12492 -246.09859 7.02632 2.14070 -246.23804 536.59364
6915.0000 -252.77770 -245.95432 6.82338 2.19081 -245.16569 570.91663
6920.0000 -252.28045 -245.69336 6.58709 2.18404 -245.31060 555.41760
6925.0000 -252.43691 -245.38710 7.04981 2.18334 -245.32553 560.28197
6930.0000 -252.02880 -246.67516 5.35365 2.13177 -246.42909 506.43126
6935.0000 -251.92399 -245.73116 6.19282 2.14935 -246.05296 504.30792
6940.0000 -250.59535 -243.97319 6.62216 2.24287 -244.05150 577.58474
6945.0000 -251.05299 -243.76737 7.28563 2.24716 -243.95977 564.07881
6950.0000 -251.90477 -244.61733 7.28744 2.21790 -244.58585 548.45644
6955.0000 -250.70197 -244.54195 6.16002 2.21955 -244.55066 544.83432
6960.0000 -251.48657 -244.66550 6.82108 2.23892 -244.13594 554.29883
6965.0000 -252.29520 -245.60452 6.69068 2.19939 -244.98205 540.78519
6970.0000 -252.81326 -245.32004 7.49322 2.17652 -245.47148 530.19486
6975.0000 -251.14961 -244.01255 7.13706 2.23932 -244.12746 574.06580
6980.0000 -252.06108 -244.74282 7.31825 2.22078 -244.52424 564.70075
6985.0000 -252.78002 -246.55161 6.22840 2.18377 -245.31633 544.50912
6990.0000 -252.07183 -245.33091 6.74092 2.13995 -246.25397 508.22981
6995.0000 -252.07819 -245.24593 6.83226 2.15143 -246.00841 512.87277
7000.0000 -251.93636 -245.98779 5.94856 2.21669 -244.61186 549.81710
FREEZING PROCESS: loop number 29 T-loop= 528.00000000000000
main_MD> interactions number 29 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02195 0.79422 -0.70505
force_rgl> df(natom) 0.24907 5.58103 5.77468
7005.0000 -251.94452 -245.12267 6.82186 2.18910 -245.20229 539.34050
7010.0000 -251.94639 -245.63108 6.31530 2.17898 -245.41878 519.95050
7015.0000 -252.44793 -245.82129 6.62664 2.15680 -245.89338 504.68516
7020.0000 -252.60368 -245.91758 6.68609 2.17047 -245.60083 514.20763
7025.0000 -251.88191 -245.67290 6.20902 2.17630 -245.47604 512.88997
7030.0000 -252.42997 -246.36154 6.06843 2.16218 -245.77822 491.41860
7035.0000 -251.81914 -246.13528 5.68385 2.14003 -246.25226 472.11741
7040.0000 -251.48999 -245.04945 6.44054 2.15189 -245.99853 488.68734
7045.0000 -252.56738 -246.34377 6.22361 2.18143 -245.36637 509.39387
7050.0000 -250.96345 -244.44813 6.51532 2.20470 -244.86828 544.96697
7055.0000 -252.91730 -246.20692 6.71038 2.18171 -245.36035 544.90112
7060.0000 -250.96029 -244.33327 6.62702 2.16858 -245.64140 525.72638
7065.0000 -251.21419 -244.44449 6.76969 2.22581 -244.41665 569.33159
7070.0000 -252.51549 -245.79476 6.72073 2.21856 -244.57177 545.77323
7075.0000 -252.36338 -245.85323 6.51015 2.15924 -245.84124 505.81063
7080.0000 -252.36512 -245.60514 6.75998 2.18436 -245.30362 549.44506
7085.0000 -252.38652 -245.62908 6.75744 2.13426 -246.37573 508.48685
7090.0000 -251.14513 -244.15636 6.98877 2.20441 -244.87450 547.51750
7095.0000 -251.38413 -244.47440 6.90973 2.20593 -244.84194 555.90378
7100.0000 -252.49915 -244.68313 7.81602 2.22214 -244.49509 577.16154
7105.0000 -253.11096 -245.83448 7.27648 2.15939 -245.83793 536.61092
7110.0000 -252.47032 -246.14551 6.32481 2.14621 -246.12002 525.47467
7115.0000 -252.55024 -245.45214 7.09810 2.20337 -244.89677 568.49566
7120.0000 -252.90337 -245.88396 7.01942 2.15115 -246.01437 530.61514
7125.0000 -251.66096 -244.24370 7.41727 2.18548 -245.27964 547.93207
7130.0000 -253.30185 -245.92294 7.37891 2.19173 -245.14596 564.17050
7135.0000 -253.26028 -246.44060 6.81968 2.15614 -245.90753 547.80496
7140.0000 -252.98260 -247.19983 5.78276 2.14773 -246.08755 529.27199
7145.0000 -253.57228 -245.99120 7.58108 2.12584 -246.55609 508.87899
7150.0000 -251.91164 -245.08003 6.83161 2.16942 -245.62343 535.65026
7155.0000 -252.54633 -245.11222 7.43410 2.20220 -244.92193 555.36345
7160.0000 -251.95693 -246.25939 5.69754 2.17599 -245.48284 530.00816
7165.0000 -250.92912 -244.30286 6.62626 2.21287 -244.69348 555.54636
7170.0000 -252.42615 -246.19155 6.23460 2.19391 -245.09924 554.03326
7175.0000 -251.78148 -245.47643 6.30505 2.14016 -246.24947 512.51545
7180.0000 -251.75310 -245.19275 6.56035 2.16577 -245.70159 542.09897
7185.0000 -251.75496 -244.72993 7.02503 2.18205 -245.35315 530.62615
7190.0000 -253.15815 -245.92337 7.23478 2.18003 -245.39625 544.61631
7195.0000 -252.59510 -246.67526 5.91984 2.13983 -246.25663 516.61737
7200.0000 -252.19998 -245.71575 6.48423 2.14271 -246.19506 515.46628
7205.0000 -253.07971 -246.74869 6.33102 2.11498 -246.78848 490.11841
7210.0000 -252.62750 -245.77002 6.85748 2.14788 -246.08437 506.94512
7215.0000 -252.43210 -244.89230 7.53980 2.18330 -245.32628 537.23893
7220.0000 -252.65491 -245.51850 7.13641 2.17044 -245.60164 531.59475
7225.0000 -252.75259 -246.00779 6.74480 2.14389 -246.16984 499.08861
7230.0000 -251.98214 -244.59325 7.38889 2.18463 -245.29798 531.85807
7235.0000 -252.66800 -245.29287 7.37513 2.18968 -245.18976 545.68096
7240.0000 -251.81162 -244.94452 6.86710 2.21027 -244.74910 554.10256
7245.0000 -251.42275 -245.09713 6.32563 2.17392 -245.52707 512.89508
7250.0000 -250.45168 -243.74868 6.70299 2.22628 -244.40651 534.32797
FREEZING PROCESS: loop number 30 T-loop= 503.00000000000000
main_MD> interactions number 30 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36316 1.37361 1.83267
force_rgl> df(natom) 1.60127 -3.12824 -0.43086
7255.0000 -251.12274 -244.35312 6.76963 2.23131 -244.29890 528.71521
7260.0000 -252.31678 -245.97450 6.34228 2.22428 -244.44939 517.31133
7265.0000 -251.27971 -244.65539 6.62432 2.21028 -244.74901 523.55309
7270.0000 -250.98426 -244.21066 6.77360 2.22093 -244.52102 527.13852
7275.0000 -251.17198 -245.03492 6.13705 2.21270 -244.69714 536.82740
7280.0000 -251.60894 -245.34603 6.26290 2.21336 -244.68298 501.27445
7285.0000 -252.04715 -246.34651 5.70064 2.16743 -245.66590 467.05344
7290.0000 -251.56614 -245.61551 5.95063 2.18931 -245.19775 491.76564
7295.0000 -251.96988 -245.75301 6.21687 2.14940 -246.05183 478.40607
7300.0000 -250.45567 -244.20492 6.25074 2.17888 -245.42084 493.96022
7305.0000 -252.09270 -245.92377 6.16892 2.20407 -244.88187 508.56327
7310.0000 -252.43370 -246.07204 6.36166 2.16848 -245.64347 496.37045
7315.0000 -252.25424 -245.56784 6.68640 2.15252 -245.98504 488.19300
7320.0000 -251.71081 -245.35444 6.35637 2.17141 -245.58086 497.47551
7325.0000 -251.57179 -245.49611 6.07567 2.17110 -245.58748 500.07921
7330.0000 -252.07551 -245.10505 6.97046 2.20779 -244.80223 534.10492
7335.0000 -252.47433 -245.79453 6.67981 2.19594 -245.05575 537.97946
7340.0000 -252.22277 -245.53264 6.69013 2.18827 -245.21995 530.09992
7345.0000 -253.18972 -246.69724 6.49248 2.13019 -246.46290 504.75368
7350.0000 -253.05433 -246.90714 6.14719 2.11097 -246.87430 490.92450
7355.0000 -253.27321 -247.12956 6.14365 2.11691 -246.74721 493.25426
7360.0000 -254.13186 -247.43966 6.69220 2.09944 -247.12089 473.17578
7365.0000 -253.33965 -246.70205 6.63760 2.08228 -247.48827 460.63300
7370.0000 -253.41644 -247.22363 6.19281 2.12407 -246.59390 504.81456
7375.0000 -252.99736 -247.89388 5.10348 2.08559 -247.41730 467.01987
7380.0000 -253.70086 -247.55879 6.14207 2.08270 -247.47928 465.99794
7385.0000 -253.48241 -247.33247 6.14994 2.06388 -247.88208 467.03747
7390.0000 -253.83124 -248.20926 5.62198 2.08196 -247.49512 485.90923
7395.0000 -253.78082 -246.80322 6.97760 2.12597 -246.55326 508.55824
7400.0000 -255.09856 -248.79984 6.29873 2.06963 -247.75889 480.12459
7405.0000 -253.59966 -247.40365 6.19600 2.04065 -248.37915 459.99926
7410.0000 -254.90588 -249.19942 5.70645 2.05512 -248.06953 464.63955
7415.0000 -253.18469 -247.10522 6.07947 2.06008 -247.96325 465.33845
7420.0000 -253.64780 -246.43136 7.21645 2.14883 -246.06394 526.80297
7425.0000 -253.21114 -246.80160 6.40953 2.10138 -247.07952 506.01142
7430.0000 -252.14551 -245.23264 6.91287 2.13954 -246.26272 523.55817
7435.0000 -253.90159 -246.75532 7.14627 2.13667 -246.32427 525.08253
7440.0000 -253.69244 -247.15231 6.54012 2.12917 -246.48475 507.58000
7445.0000 -253.76218 -247.62883 6.13334 2.09573 -247.20035 495.58334
7450.0000 -254.14304 -248.01454 6.12849 2.04084 -248.37506 458.93457
7455.0000 -254.40685 -248.71199 5.69486 2.04681 -248.24736 463.93199
7460.0000 -253.58539 -247.81459 5.77079 2.04594 -248.26598 454.81859
7465.0000 -254.84486 -248.80724 6.03762 2.05358 -248.10238 464.31460
7470.0000 -253.45707 -248.44671 5.01035 2.02808 -248.64812 443.54565
7475.0000 -253.84964 -247.77384 6.07580 2.07625 -247.61731 474.96100
7480.0000 -252.92732 -247.29341 5.63391 2.06675 -247.82049 466.29157
7485.0000 -252.16134 -245.34872 6.81262 2.10789 -246.94008 474.43283
7490.0000 -252.81252 -245.45853 7.35399 2.16189 -245.78451 483.57217
7495.0000 -251.69357 -245.34474 6.34884 2.17984 -245.40034 506.90809
7500.0000 -252.21622 -246.30849 5.90772 2.16780 -245.65802 487.94545
FREEZING PROCESS: loop number 31 T-loop= 478.00000000000000
main_MD> interactions number 31 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.06415 0.93610 -2.02981
force_rgl> df(natom) 0.82161 0.40002 0.79075
7505.0000 -253.43914 -246.45699 6.98214 2.15380 -245.95769 514.07951
7510.0000 -254.41711 -247.59255 6.82456 2.07451 -247.65439 478.36701
7515.0000 -254.62725 -248.78799 5.83926 2.06864 -247.78009 476.78186
7520.0000 -254.83391 -248.97730 5.85661 2.04394 -248.30877 476.56951
7525.0000 -254.40933 -247.73132 6.67801 2.05439 -248.08514 487.06237
7530.0000 -253.88169 -247.41733 6.46435 2.08121 -247.51116 503.28337
7535.0000 -252.74380 -247.02636 5.71744 2.09756 -247.16131 499.12727
7540.0000 -254.31714 -248.02912 6.28802 2.12221 -246.63367 513.20762
7545.0000 -253.22306 -246.45354 6.76952 2.10963 -246.90301 515.60833
7550.0000 -253.11484 -246.64994 6.46491 2.12777 -246.51466 518.63796
7555.0000 -253.06295 -246.51597 6.54697 2.13583 -246.34223 527.97714
7560.0000 -254.45128 -248.15397 6.29731 2.08881 -247.34855 479.08468
7565.0000 -253.98728 -248.25746 5.72982 2.04706 -248.24187 454.50214
7570.0000 -253.32449 -247.52978 5.79470 2.05334 -248.10751 453.41461
7575.0000 -253.16164 -247.70527 5.45637 2.07678 -247.60593 466.31668
7580.0000 -253.19693 -246.45016 6.74677 2.09983 -247.11265 487.69333
7585.0000 -253.66908 -246.86952 6.79956 2.08485 -247.43324 498.17420
7590.0000 -254.23606 -249.05430 5.18176 2.04673 -248.24902 464.61689
7595.0000 -254.33412 -248.43630 5.89783 2.01472 -248.93412 427.83955
7600.0000 -254.14562 -247.55911 6.58651 2.04674 -248.24873 464.20458
7605.0000 -254.34621 -248.11510 6.23110 2.06425 -247.87412 480.94345
7610.0000 -253.37669 -246.43250 6.94419 2.07157 -247.71738 501.53566
7615.0000 -254.25614 -248.59073 5.66541 2.08635 -247.40118 515.02636
7620.0000 -254.56075 -249.06764 5.49311 2.00460 -249.15055 461.52511
7625.0000 -254.05671 -248.44926 5.60746 2.03623 -248.47363 481.85984
7630.0000 -254.20635 -247.99440 6.21195 2.01731 -248.87856 461.03932
7635.0000 -255.13007 -248.35807 6.77200 2.04638 -248.25657 496.86632
7640.0000 -255.36483 -250.31154 5.05330 2.00114 -249.22457 455.51717
7645.0000 -254.64562 -248.88204 5.76358 2.02448 -248.72525 463.31502
7650.0000 -255.26876 -249.16111 6.10765 1.99956 -249.25837 454.26995
7655.0000 -254.19840 -248.38644 5.81195 2.01617 -248.90307 476.98059
7660.0000 -254.66965 -248.28116 6.38849 2.03606 -248.47724 474.79731
7665.0000 -254.13066 -247.88851 6.24214 2.05902 -247.98592 495.54691
7670.0000 -254.40816 -248.36239 6.04578 2.05385 -248.09667 485.58808
7675.0000 -254.54174 -248.49240 6.04934 2.01551 -248.91709 462.27742
7680.0000 -254.68432 -248.64957 6.03475 2.02117 -248.79602 472.67462
7685.0000 -255.06602 -248.61415 6.45188 2.02405 -248.73444 474.25297
7690.0000 -254.25264 -247.89108 6.36156 2.03988 -248.39553 468.27917
7695.0000 -254.27008 -248.81506 5.45502 2.01764 -248.87147 458.97177
7700.0000 -255.51105 -248.83531 6.67574 2.04192 -248.35189 481.28739
7705.0000 -253.31539 -246.48876 6.82663 2.07349 -247.67630 496.54956
7710.0000 -253.68871 -247.46611 6.22260 2.11404 -246.80843 525.67132
7715.0000 -254.48343 -248.57679 5.90664 2.05420 -248.08911 482.85028
7720.0000 -253.81473 -247.30163 6.51310 2.06903 -247.77170 497.90064
7725.0000 -253.82932 -247.85839 5.97093 2.10096 -247.08852 508.39587
7730.0000 -254.58964 -247.97669 6.61294 2.07657 -247.61036 488.28566
7735.0000 -253.74710 -248.09541 5.65169 2.05482 -248.07583 482.28658
7740.0000 -254.02425 -246.73041 7.29384 2.08810 -247.36366 499.94223
7745.0000 -254.39991 -247.49886 6.90105 2.09349 -247.24841 497.78906
7750.0000 -255.07045 -248.39548 6.67497 2.06083 -247.94716 492.60368
FREEZING PROCESS: loop number 32 T-loop= 453.00000000000000
main_MD> interactions number 32 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.69342 0.63613 -0.22600
force_rgl> df(natom) 4.17777 0.67919 -1.08068
7755.0000 -254.20720 -248.72034 5.48686 2.03633 -248.47161 489.14593
7760.0000 -255.28862 -248.64088 6.64774 2.02051 -248.81002 473.93715
7765.0000 -254.92602 -249.15655 5.76947 2.00491 -249.14387 459.40966
7770.0000 -255.71361 -249.31583 6.39778 2.02026 -248.81550 474.14810
7775.0000 -255.81037 -250.36945 5.44092 1.97218 -249.84433 441.24266
7780.0000 -254.78899 -249.96870 4.82029 1.94056 -250.52116 409.40348
7785.0000 -255.21518 -249.70791 5.50727 1.98581 -249.55267 439.69055
7790.0000 -254.89227 -249.30564 5.58663 1.99937 -249.26256 454.17467
7795.0000 -255.29629 -250.28716 5.00913 1.98365 -249.59902 443.86381
7800.0000 -254.66502 -248.70014 5.96488 2.01845 -248.85420 467.68625
7805.0000 -254.96713 -248.84903 6.11810 2.02263 -248.76485 466.89236
7810.0000 -254.33940 -249.10767 5.23173 2.01461 -248.93648 455.41777
7815.0000 -255.09017 -249.78601 5.30416 1.98519 -249.56609 440.06666
7820.0000 -255.08510 -249.68731 5.39779 1.98936 -249.47684 451.33100
7825.0000 -255.55235 -249.61774 5.93462 1.97625 -249.75736 440.35872
7830.0000 -254.67691 -249.16410 5.51281 2.00785 -249.08099 455.48013
7835.0000 -254.59678 -248.38007 6.21671 1.98971 -249.46921 442.02040
7840.0000 -255.60415 -249.75519 5.84896 2.01557 -248.91578 470.69509
7845.0000 -255.59896 -249.50344 6.09552 1.98841 -249.49704 451.67400
7850.0000 -255.56228 -249.79575 5.76653 1.99015 -249.45989 457.86756
7855.0000 -255.18212 -249.88953 5.29259 1.95738 -250.16117 425.34666
7860.0000 -255.40328 -250.05040 5.35287 1.95857 -250.13574 426.09895
7865.0000 -254.45476 -248.57390 5.88086 2.01517 -248.92441 468.40189
7870.0000 -255.30323 -248.72920 6.57403 2.02019 -248.81699 472.74956
7875.0000 -256.02674 -249.77108 6.25567 1.99527 -249.35027 455.75796
7880.0000 -255.79345 -250.24465 5.54880 1.96827 -249.92798 434.77217
7885.0000 -255.72083 -249.86938 5.85145 1.95585 -250.19387 421.43977
7890.0000 -255.85786 -251.09475 4.76311 1.94994 -250.32038 421.26872
7895.0000 -255.88229 -250.77090 5.11139 1.93309 -250.68085 405.02219
7900.0000 -254.84344 -249.17909 5.66435 1.96648 -249.96636 433.98503
7905.0000 -255.42312 -249.38052 6.04261 2.01259 -248.97965 464.96637
7910.0000 -255.91480 -250.33555 5.57925 1.96862 -249.92054 438.75100
7915.0000 -255.00528 -248.11921 6.88607 2.00614 -249.11754 466.62135
7920.0000 -254.91882 -248.79738 6.12144 2.02745 -248.66153 480.70967
7925.0000 -254.78344 -248.55409 6.22935 2.02814 -248.64686 475.54530
7930.0000 -255.17817 -248.82008 6.35809 2.03901 -248.41421 482.98259
7935.0000 -255.57542 -249.62997 5.94545 2.01857 -248.85158 470.22432
7940.0000 -254.38906 -248.36459 6.02447 2.00346 -249.17508 457.78551
7945.0000 -254.82821 -249.19523 5.63298 2.02603 -248.69209 476.63540
7950.0000 -255.16947 -247.61729 7.55218 2.05841 -247.99895 499.38612
7955.0000 -255.73938 -249.10500 6.63438 2.04598 -248.26503 493.95807
7960.0000 -254.90069 -249.73434 5.16636 1.99552 -249.34487 452.09299
7965.0000 -255.69313 -249.87812 5.81501 1.95892 -250.12820 426.14698
7970.0000 -255.64968 -249.27580 6.37387 1.99397 -249.37806 449.12433
7975.0000 -255.06169 -249.02144 6.04025 2.03471 -248.50622 483.16380
7980.0000 -255.88818 -250.03209 5.85610 1.97847 -249.70983 439.62011
7985.0000 -255.84537 -249.89324 5.95214 1.95687 -250.17206 424.35111
7990.0000 -255.93710 -249.64832 6.28878 1.95404 -250.23261 423.54801
7995.0000 -254.78668 -248.98270 5.80397 1.99157 -249.42952 456.30901
8000.0000 -255.26650 -249.73859 5.52791 2.00975 -249.04040 468.25220
FREEZING PROCESS: loop number 33 T-loop= 428.00000000000000
main_MD> interactions number 33 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.56576 -0.02554 0.45253
force_rgl> df(natom) 1.19070 -0.42375 2.19186
8005.0000 -255.86344 -249.28497 6.57846 1.97297 -249.82743 442.85598
8010.0000 -255.46328 -249.86704 5.59624 1.95686 -250.17231 425.58052
8015.0000 -255.73467 -250.65233 5.08234 1.94731 -250.37667 417.57062
8020.0000 -255.01625 -249.18704 5.82921 1.94236 -250.48266 415.62959
8025.0000 -254.57397 -248.50199 6.07198 2.02806 -248.64857 482.17525
8030.0000 -255.14868 -249.44056 5.70812 2.01075 -249.01895 464.27854
8035.0000 -255.78122 -250.52063 5.26059 1.97219 -249.84412 438.32668
8040.0000 -255.59187 -250.48300 5.10886 1.93871 -250.56074 411.52680
8045.0000 -255.15312 -249.99302 5.16010 1.96351 -250.03001 425.14216
8050.0000 -255.35485 -249.96485 5.39000 1.97670 -249.74776 441.92737
8055.0000 -255.34856 -250.34818 5.00038 1.98110 -249.65362 443.42477
8060.0000 -255.56479 -249.69882 5.86598 1.94102 -250.51134 408.11197
8065.0000 -256.64613 -250.54916 6.09698 1.95675 -250.17458 428.07745
8070.0000 -256.10224 -250.30116 5.80108 1.95258 -250.26377 426.51690
8075.0000 -256.68999 -251.21121 5.47878 1.92161 -250.92659 401.57660
8080.0000 -256.04296 -251.86246 4.18050 1.90744 -251.22996 389.10917
8085.0000 -255.75997 -250.44517 5.31480 1.91028 -251.16916 385.81112
8090.0000 -255.56360 -250.26249 5.30111 1.95677 -250.17410 426.41720
8095.0000 -254.87818 -249.52730 5.35089 1.96449 -250.00889 429.12990
8100.0000 -255.93825 -250.25459 5.68366 1.94734 -250.37604 418.57764
8105.0000 -254.39606 -249.81069 4.58537 1.97240 -249.83969 438.07897
8110.0000 -256.27885 -251.46305 4.81580 1.93654 -250.60708 408.32087
8115.0000 -256.67220 -250.98832 5.68388 1.93661 -250.60565 408.17312
8120.0000 -255.67791 -250.78217 4.89575 1.92010 -250.95904 400.29920
8125.0000 -255.74283 -250.93619 4.80663 1.92862 -250.77656 406.29053
8130.0000 -256.40235 -251.42175 4.98061 1.90587 -251.26343 387.98222
8135.0000 -256.20006 -251.15180 5.04826 1.90934 -251.18926 390.69324
8140.0000 -255.56068 -250.91555 4.64513 1.92915 -250.76535 401.92869
8145.0000 -255.72660 -250.37901 5.34759 1.93907 -250.55308 414.35862
8150.0000 -255.56834 -249.82437 5.74397 1.96471 -250.00430 429.40396
8155.0000 -255.33391 -249.93712 5.39680 1.96388 -250.02207 431.66106
8160.0000 -255.34431 -249.88733 5.45697 1.95163 -250.28414 428.01667
8165.0000 -255.27854 -249.95736 5.32119 1.96741 -249.94644 436.53032
8170.0000 -254.71300 -248.33810 6.37490 1.98977 -249.46801 451.14096
8175.0000 -254.38174 -249.66095 4.72080 2.00384 -249.16686 460.27816
8180.0000 -256.14134 -250.98915 5.15219 1.96267 -250.04787 433.50507
8185.0000 -255.55080 -249.97654 5.57426 1.94811 -250.35956 418.54647
8190.0000 -256.28475 -250.62438 5.66037 1.95017 -250.31539 423.94649
8195.0000 -255.82402 -250.77611 5.04791 1.95815 -250.14457 428.16039
8200.0000 -255.72312 -250.47935 5.24377 1.94061 -250.52010 407.82678
8205.0000 -255.74723 -250.67507 5.07216 1.92566 -250.83996 394.25597
8210.0000 -255.39760 -249.67272 5.72489 1.94317 -250.46516 414.90794
8215.0000 -255.95403 -249.83338 6.12065 1.95180 -250.28048 426.92445
8220.0000 -254.91530 -249.76542 5.14988 1.98028 -249.67115 442.22300
8225.0000 -256.25976 -250.66005 5.59971 1.94891 -250.34238 427.08063
8230.0000 -256.24206 -250.34895 5.89311 1.93247 -250.69419 407.88717
8235.0000 -255.75531 -250.29774 5.45757 1.93112 -250.72301 410.51507
8240.0000 -255.37368 -249.74030 5.63338 1.97460 -249.79267 439.99915
8245.0000 -255.41616 -250.44197 4.97419 1.95975 -250.11040 430.48871
8250.0000 -255.63704 -250.18214 5.45490 1.94912 -250.33786 422.79067
FREEZING PROCESS: loop number 34 T-loop= 403.00000000000000
main_MD> interactions number 34 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10269 -0.29862 0.23042
force_rgl> df(natom) 0.97136 -2.50871 -0.31008
8255.0000 -256.23570 -250.19451 6.04119 1.95970 -250.11140 427.15185
8260.0000 -256.09181 -251.21390 4.87791 1.93571 -250.62481 409.31172
8265.0000 -256.80692 -251.65622 5.15070 1.89521 -251.49162 379.25146
8270.0000 -256.66155 -251.37980 5.28174 1.88637 -251.68079 373.91725
8275.0000 -256.42159 -252.06414 4.35745 1.89838 -251.42375 381.13275
8280.0000 -256.11632 -251.40973 4.70659 1.87176 -251.99342 365.60502
8285.0000 -256.19096 -251.25603 4.93493 1.90448 -251.29320 387.64188
8290.0000 -256.43688 -250.58448 5.85240 1.91886 -250.98540 402.03693
8295.0000 -255.80634 -250.32785 5.47849 1.94595 -250.40564 419.62360
8300.0000 -256.53444 -251.77341 4.76103 1.91403 -251.08893 391.34780
8305.0000 -256.81114 -251.93079 4.88034 1.88059 -251.80449 367.21432
8310.0000 -255.65886 -250.99558 4.66327 1.91107 -251.15224 383.79833
8315.0000 -255.49839 -250.48297 5.01542 1.93379 -250.66594 407.85747
8320.0000 -256.47803 -250.73569 5.74234 1.93171 -250.71050 407.71614
8325.0000 -256.21722 -250.92408 5.29314 1.92161 -250.92658 398.82554
8330.0000 -256.10525 -250.91374 5.19151 1.90696 -251.24006 387.15796
8335.0000 -256.39495 -250.13440 6.26055 1.92722 -250.80657 404.14034
8340.0000 -255.63966 -250.56034 5.07932 1.94608 -250.40292 422.43961
8345.0000 -256.19785 -251.11214 5.08572 1.92771 -250.79606 408.70119
8350.0000 -256.09918 -251.12678 4.97239 1.91230 -251.12588 396.66254
8355.0000 -256.40592 -252.09839 4.30753 1.89911 -251.40805 384.08767
8360.0000 -256.96519 -251.81121 5.15398 1.89585 -251.47799 382.66153
8365.0000 -256.52021 -251.58598 4.93423 1.88817 -251.64219 373.55987
8370.0000 -255.92395 -251.37188 4.55207 1.90059 -251.37651 383.52036
8375.0000 -256.47887 -251.44418 5.03470 1.89296 -251.53969 379.33959
8380.0000 -255.81698 -250.20610 5.61087 1.91994 -250.96226 404.40629
8385.0000 -255.26799 -249.03074 6.23725 1.99358 -249.38633 454.73748
8390.0000 -255.43962 -249.63947 5.80015 1.98863 -249.49246 451.59747
8395.0000 -254.78846 -249.08706 5.70140 1.99778 -249.29658 454.39889
8400.0000 -254.96126 -249.09613 5.86513 1.98522 -249.56540 438.93609
8405.0000 -254.22777 -249.02043 5.20735 2.01018 -249.03117 433.19513
8410.0000 -254.97770 -248.87782 6.09988 2.03108 -248.58401 449.27992
8415.0000 -254.96021 -249.14637 5.81384 2.01671 -248.89142 459.65076
8420.0000 -256.61828 -251.07441 5.54387 1.97409 -249.80361 441.09161
8425.0000 -256.37728 -251.25445 5.12283 1.93383 -250.66510 411.87890
8430.0000 -256.36188 -251.16704 5.19484 1.90777 -251.22288 391.25838
8435.0000 -256.06446 -250.38164 5.68282 1.92583 -250.83628 408.29737
8440.0000 -256.36895 -251.99229 4.37666 1.90086 -251.37068 384.32199
8445.0000 -255.90228 -250.80033 5.10195 1.88694 -251.66848 375.09619
8450.0000 -255.89459 -251.02605 4.86854 1.91030 -251.16858 390.19703
8455.0000 -256.36142 -251.25798 5.10345 1.88902 -251.62411 369.15298
8460.0000 -256.38061 -251.42730 4.95331 1.90561 -251.26895 381.67486
8465.0000 -256.13438 -251.32658 4.80781 1.90466 -251.28927 385.84734
8470.0000 -256.43447 -251.95861 4.47586 1.88536 -251.70248 372.86946
8475.0000 -255.86150 -250.88107 4.98043 1.90932 -251.18972 391.75251
8480.0000 -256.15976 -250.43550 5.72426 1.93765 -250.58329 405.91300
8485.0000 -256.57554 -251.55285 5.02269 1.92934 -250.76111 403.47051
8490.0000 -256.77427 -251.57242 5.20185 1.90247 -251.33630 385.56391
8495.0000 -256.61015 -252.21215 4.39800 1.88177 -251.77914 370.70538
8500.0000 -256.30479 -251.60200 4.70278 1.87661 -251.88969 366.47066
FREEZING PROCESS: loop number 35 T-loop= 378.00000000000000
main_MD> interactions number 35 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99760 5.90667 -4.51742
force_rgl> df(natom) -1.81452 2.25836 0.20642
8505.0000 -257.01459 -251.91848 5.09611 1.87767 -251.86688 368.26789
8510.0000 -256.39369 -251.31022 5.08348 1.89095 -251.58276 374.58438
8515.0000 -255.69441 -250.36408 5.33033 1.93284 -250.68640 402.93792
8520.0000 -255.56913 -250.60828 4.96085 1.95765 -250.15533 423.37524
8525.0000 -256.32438 -251.43854 4.88584 1.90694 -251.24067 390.80862
8530.0000 -256.39884 -251.28902 5.10982 1.90041 -251.38037 388.23219
8535.0000 -256.44987 -252.04450 4.40537 1.86773 -252.07967 358.17612
8540.0000 -256.34294 -251.76124 4.58170 1.88882 -251.62832 375.93283
8545.0000 -256.92061 -252.75526 4.16535 1.86623 -252.11176 360.42139
8550.0000 -257.07833 -252.91229 4.16604 1.84812 -252.49943 342.45429
8555.0000 -257.27368 -252.49091 4.78277 1.84292 -252.61060 339.36076
8560.0000 -256.60363 -252.07619 4.52743 1.84937 -252.47255 346.76594
8565.0000 -256.62456 -251.68203 4.94253 1.88040 -251.80862 369.77120
8570.0000 -256.07131 -252.20868 3.86263 1.88773 -251.65159 371.41574
8575.0000 -256.82826 -251.80416 5.02410 1.87692 -251.88311 364.66487
8580.0000 -257.02555 -251.85998 5.16557 1.89466 -251.50346 379.29719
8585.0000 -257.03442 -251.73682 5.29760 1.87662 -251.88953 368.64327
8590.0000 -257.02550 -251.52375 5.50176 1.88267 -251.75997 372.10514
8595.0000 -256.64082 -251.50093 5.13989 1.89646 -251.46481 381.57278
8600.0000 -256.50904 -251.41436 5.09468 1.89444 -251.50816 384.00507
8605.0000 -256.02262 -251.17137 4.85125 1.90487 -251.28482 392.90080
8610.0000 -256.45519 -250.97941 5.47578 1.90212 -251.34377 384.76120
8615.0000 -256.76810 -251.50880 5.25930 1.88465 -251.71754 370.41892
8620.0000 -256.41115 -250.50006 5.91109 1.90971 -251.18124 395.60018
8625.0000 -256.48214 -251.56274 4.91940 1.92572 -250.83857 402.99829
8630.0000 -256.56943 -251.69064 4.87879 1.88942 -251.61557 375.18225
8635.0000 -256.95566 -252.33442 4.62124 1.86363 -252.16739 357.83370
8640.0000 -257.16735 -252.27142 4.89593 1.86154 -252.21222 355.90553
8645.0000 -256.78819 -252.18963 4.59856 1.88233 -251.76720 372.07977
8650.0000 -256.45825 -251.75285 4.70539 1.87892 -251.84020 369.72029
8655.0000 -256.43227 -251.75068 4.68160 1.88140 -251.78705 372.26265
8660.0000 -256.19095 -251.23311 4.95784 1.89223 -251.55540 380.00140
8665.0000 -256.51631 -251.71570 4.80061 1.87803 -251.85921 368.28809
8670.0000 -256.59679 -251.86136 4.73543 1.88207 -251.77280 370.85788
8675.0000 -256.19449 -251.27430 4.92019 1.88161 -251.78262 370.26178
8680.0000 -256.28712 -251.47081 4.81630 1.89197 -251.56097 376.94699
8685.0000 -256.59347 -251.92961 4.66386 1.88489 -251.71245 373.10056
8690.0000 -255.72907 -250.89796 4.83111 1.88598 -251.68910 375.72731
8695.0000 -256.09501 -251.07887 5.01614 1.92095 -250.94074 399.66002
8700.0000 -256.46075 -251.63769 4.82305 1.91135 -251.14630 395.39747
8705.0000 -256.70237 -251.86704 4.83533 1.88682 -251.67125 376.54168
8710.0000 -255.85036 -251.61945 4.23091 1.88907 -251.62306 376.36052
8715.0000 -256.34100 -251.68897 4.65203 1.91529 -251.06185 396.06997
8720.0000 -257.23468 -252.54954 4.68514 1.87100 -252.00974 363.22512
8725.0000 -257.03887 -252.44504 4.59383 1.84516 -252.56264 344.27750
8730.0000 -256.59528 -251.38883 5.20646 1.87324 -251.96174 363.61916
8735.0000 -256.62484 -252.58944 4.03539 1.86305 -252.17990 348.77009
8740.0000 -257.19574 -252.52831 4.66743 1.85965 -252.25268 349.02555
8745.0000 -256.72143 -252.42571 4.29572 1.87311 -251.96465 360.43350
8750.0000 -255.87853 -251.06571 4.81282 1.85706 -252.30809 346.85052
FREEZING PROCESS: loop number 36 T-loop= 353.00000000000000
main_MD> interactions number 36 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36585 2.60288 -1.07887
force_rgl> df(natom) -0.07564 1.39992 -4.12450
8755.0000 -256.88277 -251.89563 4.98713 1.89634 -251.46751 380.74974
8760.0000 -256.63808 -251.70625 4.93184 1.89030 -251.59661 376.89496
8765.0000 -256.88135 -251.72880 5.15254 1.87193 -251.98970 361.14159
8770.0000 -256.50485 -252.31008 4.19477 1.86731 -252.08866 360.15243
8775.0000 -256.61526 -251.88549 4.72977 1.87046 -252.02116 363.08786
8780.0000 -257.28851 -252.77905 4.50946 1.85281 -252.39904 348.43437
8785.0000 -257.10966 -252.86647 4.24319 1.83775 -252.72129 337.37772
8790.0000 -256.70466 -251.85917 4.84549 1.85904 -252.26563 351.58604
8795.0000 -257.51490 -252.69384 4.82107 1.84476 -252.57119 343.42677
8800.0000 -257.04811 -252.63402 4.41409 1.84220 -252.62613 343.09867
8805.0000 -257.53240 -252.95153 4.58086 1.83873 -252.70033 339.15533
8810.0000 -257.04327 -252.39946 4.64381 1.85781 -252.29199 352.58970
8815.0000 -257.08237 -252.03503 5.04734 1.85619 -252.32673 350.25696
8820.0000 -257.08817 -252.37951 4.70866 1.86047 -252.23501 351.95044
8825.0000 -256.44837 -252.09945 4.34892 1.85857 -252.27577 352.55580
8830.0000 -256.86947 -251.74872 5.12075 1.86575 -252.12215 359.53372
8835.0000 -256.23094 -251.62867 4.60227 1.89554 -251.48444 382.46190
8840.0000 -256.28127 -252.11553 4.16575 1.86992 -252.03287 364.50424
8845.0000 -256.84816 -251.78219 5.06597 1.87767 -251.86698 368.77909
8850.0000 -256.64330 -252.45525 4.18806 1.87542 -251.91513 366.31579
8855.0000 -256.90218 -252.54237 4.35980 1.82563 -252.98070 326.34033
8860.0000 -257.22486 -252.70227 4.52258 1.84136 -252.64399 336.83859
8865.0000 -257.06994 -252.46261 4.60732 1.85956 -252.25442 352.73283
8870.0000 -257.61156 -253.24621 4.36536 1.83555 -252.76841 335.55467
8875.0000 -256.98963 -252.66829 4.32134 1.83007 -252.88572 331.32809
8880.0000 -256.61338 -251.49887 5.11452 1.86417 -252.15592 358.01838
8885.0000 -256.54129 -251.96027 4.58102 1.87814 -251.85699 366.01255
8890.0000 -257.03931 -251.68540 5.35391 1.87501 -251.92398 365.82167
8895.0000 -256.48010 -251.85584 4.62426 1.86039 -252.23671 353.42557
8900.0000 -256.68515 -251.80440 4.88075 1.86163 -252.21025 355.33555
8905.0000 -256.83783 -251.96817 4.86965 1.88529 -251.70398 369.25050
8910.0000 -255.82492 -250.67834 5.14658 1.89999 -251.38939 381.83214
8915.0000 -256.59248 -251.53240 5.06008 1.90794 -251.21926 388.44556
8920.0000 -256.10379 -251.74476 4.35904 1.89547 -251.48614 386.21204
8925.0000 -256.30821 -252.26976 4.03845 1.87062 -252.01778 361.19084
8930.0000 -257.32187 -253.03843 4.28344 1.83774 -252.72142 338.37279
8935.0000 -257.27695 -252.51613 4.76083 1.83005 -252.88597 332.29064
8940.0000 -256.84970 -252.97569 3.87401 1.83859 -252.70331 338.25192
8945.0000 -256.25490 -252.11059 4.14430 1.83397 -252.80226 336.08756
8950.0000 -256.96409 -252.14502 4.81908 1.85326 -252.38925 345.46974
8955.0000 -257.07930 -252.62487 4.45442 1.87558 -251.91159 364.80322
8960.0000 -257.12164 -253.36747 3.75417 1.82640 -252.96410 327.12837
8965.0000 -257.00940 -252.88090 4.12850 1.81869 -253.12926 319.11166
8970.0000 -256.23231 -251.98506 4.24725 1.84556 -252.55420 339.99104
8975.0000 -256.99383 -252.45903 4.53479 1.85696 -252.31016 347.61222
8980.0000 -256.46089 -251.89407 4.56682 1.86040 -252.23651 351.30995
8985.0000 -256.38502 -251.66715 4.71787 1.89272 -251.54481 379.06294
8990.0000 -256.98846 -252.55436 4.43410 1.86811 -252.07161 360.58561
8995.0000 -256.65697 -252.06379 4.59318 1.83825 -252.71062 336.43678
9000.0000 -257.30555 -252.75149 4.55406 1.87309 -251.96497 364.38136
FREEZING PROCESS: loop number 37 T-loop= 328.00000000000000
main_MD> interactions number 37 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13987 -1.02014 -0.99754
force_rgl> df(natom) 3.23110 1.25396 -1.75113
9005.0000 -257.21496 -252.64247 4.57249 1.84119 -252.64763 340.46140
9010.0000 -257.29511 -252.58760 4.70750 1.85263 -252.40283 347.15352
9015.0000 -257.43858 -253.70196 3.73662 1.81778 -253.14856 319.15743
9020.0000 -257.28564 -252.94712 4.33852 1.80130 -253.50137 306.47295
9025.0000 -257.17815 -253.52623 3.65191 1.82103 -253.07914 324.49965
9030.0000 -257.60988 -253.31273 4.29715 1.81208 -253.27055 316.24531
9035.0000 -256.94664 -253.21777 3.72887 1.80519 -253.41801 309.50956
9040.0000 -257.07683 -252.73032 4.34651 1.81766 -253.15120 322.78575
9045.0000 -256.94410 -252.64030 4.30380 1.81958 -253.11009 324.01389
9050.0000 -256.57364 -252.79575 3.77790 1.82973 -252.89284 330.38900
9055.0000 -256.62782 -252.04515 4.58267 1.84157 -252.63960 340.68397
9060.0000 -256.98684 -252.41577 4.57107 1.84973 -252.46489 343.80223
9065.0000 -257.29372 -252.99145 4.30227 1.83221 -252.83975 331.15147
9070.0000 -257.64690 -253.48540 4.16150 1.82036 -253.09340 319.90106
9075.0000 -257.16946 -253.32239 3.84707 1.81430 -253.22307 320.33716
9080.0000 -258.03429 -254.12565 3.90865 1.77469 -254.07085 287.03865
9085.0000 -257.32697 -253.06760 4.25938 1.80178 -253.49096 308.95579
9090.0000 -258.09178 -254.16115 3.93063 1.78177 -253.91918 294.11726
9095.0000 -256.86675 -252.98073 3.88602 1.78487 -253.85283 297.57959
9100.0000 -257.25055 -253.30776 3.94279 1.83569 -252.76542 336.72555
9105.0000 -257.32283 -253.02454 4.29828 1.81674 -253.17097 320.30309
9110.0000 -257.29667 -252.84017 4.45649 1.84248 -252.62014 340.17523
9115.0000 -256.83489 -253.08114 3.75375 1.82488 -252.99660 327.89500
9120.0000 -256.50716 -253.17726 3.32991 1.82103 -253.07916 325.72325
9125.0000 -257.15240 -252.86385 4.28855 1.81607 -253.18530 321.37852
9130.0000 -257.27046 -253.08736 4.18310 1.83759 -252.72479 340.05636
9135.0000 -257.36867 -253.04624 4.32243 1.81090 -253.29584 318.28788
9140.0000 -256.92231 -252.29699 4.62533 1.84401 -252.58726 343.79116
9145.0000 -257.15433 -252.06323 5.09110 1.85409 -252.37152 351.83978
9150.0000 -256.69937 -252.00300 4.69637 1.85953 -252.25524 354.94044
9155.0000 -256.54675 -252.44327 4.10348 1.84891 -252.48255 346.73264
9160.0000 -256.52303 -251.96657 4.55646 1.85395 -252.37465 349.33353
9165.0000 -256.82098 -252.41951 4.40148 1.86798 -252.07428 361.64761
9170.0000 -256.29744 -252.19568 4.10176 1.84314 -252.60594 340.73429
9175.0000 -257.74361 -253.75843 3.98518 1.82104 -253.07890 322.86107
9180.0000 -256.66779 -252.27175 4.39604 1.83077 -252.87067 331.76661
9185.0000 -257.21194 -253.49837 3.71358 1.82828 -252.92401 328.19580
9190.0000 -257.74072 -253.26243 4.47828 1.81007 -253.31369 312.90511
9195.0000 -257.77648 -253.46167 4.31481 1.79551 -253.62518 303.53675
9200.0000 -257.29294 -253.17574 4.11719 1.81515 -253.20503 317.44700
9205.0000 -256.63278 -252.92104 3.71174 1.82563 -252.98073 326.51346
9210.0000 -257.38305 -253.53120 3.85184 1.81851 -253.13297 324.73745
9215.0000 -256.72104 -252.92080 3.80024 1.82085 -253.08301 326.69191
9220.0000 -257.62701 -253.22098 4.40604 1.82447 -253.00557 329.01358
9225.0000 -257.29505 -252.75733 4.53771 1.83837 -252.70802 338.25041
9230.0000 -256.75440 -252.80130 3.95309 1.84204 -252.62946 343.09171
9235.0000 -257.24529 -252.63227 4.61302 1.85332 -252.38808 348.57600
9240.0000 -257.13399 -252.51909 4.61489 1.84772 -252.50783 343.40617
9245.0000 -257.43970 -253.06402 4.37568 1.84135 -252.64424 341.97196
9250.0000 -257.88282 -253.65573 4.22709 1.81120 -253.28943 315.84401
FREEZING PROCESS: loop number 38 T-loop= 303.00000000000000
main_MD> interactions number 38 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18835 1.02578 1.61405
force_rgl> df(natom) 0.28277 3.07482 0.66926
9255.0000 -257.33095 -253.20951 4.12144 1.79437 -253.64957 302.09121
9260.0000 -256.63787 -253.02804 3.60983 1.81625 -253.18137 322.31210
9265.0000 -257.43297 -253.75522 3.67775 1.79419 -253.65357 302.87545
9270.0000 -257.55448 -253.50337 4.05111 1.78898 -253.76492 298.78338
9275.0000 -257.66361 -253.86633 3.79728 1.78005 -253.95611 291.51787
9280.0000 -257.73632 -253.55796 4.17836 1.78778 -253.79067 295.97188
9285.0000 -257.09923 -252.46682 4.63241 1.81388 -253.23200 317.97277
9290.0000 -256.64126 -252.61403 4.02723 1.84618 -252.54078 341.53440
9295.0000 -257.35653 -252.96840 4.38813 1.82328 -253.03100 324.74436
9300.0000 -257.28106 -253.41992 3.86114 1.80479 -253.42672 313.51316
9305.0000 -257.81611 -253.86220 3.95391 1.81066 -253.30092 317.87831
9310.0000 -257.89519 -254.05500 3.84019 1.77167 -254.13535 286.24052
9315.0000 -257.33644 -254.05077 3.28567 1.77091 -254.15178 285.52312
9320.0000 -257.46740 -253.75713 3.71027 1.76834 -254.20678 282.69782
9325.0000 -257.45518 -253.30249 4.15269 1.80516 -253.41870 313.45109
9330.0000 -257.68367 -254.18094 3.50273 1.80014 -253.52611 308.72137
9335.0000 -257.75214 -254.58223 3.16991 1.76354 -254.30930 278.89378
9340.0000 -257.69293 -253.49392 4.19901 1.76531 -254.27154 280.42067
9345.0000 -257.22029 -253.45652 3.76378 1.80840 -253.34928 311.22939
9350.0000 -257.59490 -253.48273 4.11217 1.79661 -253.60171 304.22994
9355.0000 -257.05917 -253.52902 3.53015 1.80449 -253.43297 306.00151
9360.0000 -257.47874 -253.80657 3.67218 1.80981 -253.31927 315.08603
9365.0000 -257.13378 -253.15990 3.97387 1.81057 -253.30294 318.49101
9370.0000 -257.01058 -252.97175 4.03883 1.80803 -253.35729 314.13734
9375.0000 -258.02136 -254.44147 3.57989 1.78820 -253.78158 296.27454
9380.0000 -257.20686 -253.30066 3.90620 1.77579 -254.04723 288.26943
9385.0000 -257.62615 -253.87247 3.75368 1.77904 -253.97768 290.79581
9390.0000 -257.49110 -253.34868 4.14242 1.79225 -253.69500 302.28452
9395.0000 -257.34039 -252.78944 4.55095 1.82295 -253.03806 326.61873
9400.0000 -257.57178 -253.36557 4.20621 1.82418 -253.01164 328.99701
9405.0000 -257.10790 -253.82357 3.28433 1.80860 -253.34514 316.55391
9410.0000 -257.60738 -253.72469 3.88269 1.78359 -253.88031 295.95445
9415.0000 -257.75168 -253.71895 4.03274 1.79568 -253.62150 304.48478
9420.0000 -257.49945 -253.79440 3.70506 1.79479 -253.64058 303.75916
9425.0000 -257.63518 -253.48539 4.14979 1.78709 -253.80539 298.84057
9430.0000 -258.14677 -254.33339 3.81338 1.77937 -253.97069 292.32824
9435.0000 -257.49952 -253.95442 3.54510 1.77446 -254.07573 288.64157
9440.0000 -257.76864 -253.91156 3.85708 1.78484 -253.85348 296.71233
9445.0000 -257.90766 -254.17334 3.73433 1.76382 -254.30352 278.60864
9450.0000 -257.14272 -252.79137 4.35135 1.79309 -253.67706 302.27379
9455.0000 -257.51685 -253.02031 4.49655 1.81396 -253.23048 319.21151
9460.0000 -257.13468 -253.23782 3.89686 1.82367 -253.02251 327.56582
9465.0000 -257.92568 -253.97096 3.95472 1.78733 -253.80023 298.41887
9470.0000 -257.92717 -254.07214 3.85503 1.77996 -253.95805 292.13505
9475.0000 -257.81392 -253.77587 4.03805 1.78866 -253.77173 298.09461
9480.0000 -258.05814 -254.51753 3.54061 1.76541 -254.26948 281.65207
9485.0000 -257.70927 -253.94588 3.76339 1.76894 -254.19393 283.61241
9490.0000 -257.73060 -253.33780 4.39281 1.79933 -253.54354 308.00613
9495.0000 -257.68470 -253.69994 3.98476 1.80382 -253.44736 316.20947
9500.0000 -257.91772 -254.36468 3.55304 1.78871 -253.77070 303.65012
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 18 [min], 10.3882775 [s].
main_MD> Deallocating global variables
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