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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_78/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_78.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 = 78 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 78 7800
main_MD> Size of nv and nvoiz: 78 7800
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 = 78
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 1.2611867371902554E-002 5.8520657670032301E-003 6.6295796995908388E-002 initial drift of cluster / NP1 for coalescence
init> 0.27048220617017771 0.31653100451205829 0.31711752960217549 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7145797641292217E-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) 2.66613 1.46830 0.16210
force_rgl> df(natom) -0.64208 -0.88425 -1.97135
preparo> THERMALIZATION PROCESS AT 1193.5773199996734
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -171.58981014507177 13.311542836775324 -184.90135298184708 6.7789442815954781E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1172.0000000000000
main_MD> interactions number 1 at Temperature= 1172.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09824 1.25199 0.80780
force_rgl> df(natom) -2.24832 -0.88755 0.02147
5.0000 -185.46287 -173.31140 12.15148 3.14922 -172.60908 1159.26728
10.0000 -183.51542 -172.91044 10.60498 3.15758 -172.45651 1177.60255
15.0000 -183.17875 -169.81866 13.36009 3.19069 -171.85205 1201.48641
20.0000 -184.86747 -173.06118 11.80629 3.16698 -172.28479 1191.12748
25.0000 -184.03232 -171.48878 12.54353 3.13741 -172.82466 1165.88215
30.0000 -182.30343 -171.78374 10.51969 3.17112 -172.20928 1172.90840
35.0000 -184.20765 -173.31416 10.89349 3.13927 -172.79068 1162.04947
40.0000 -184.55565 -173.71825 10.83740 3.08269 -173.82357 1153.55261
45.0000 -184.20720 -173.93926 10.26794 3.03199 -174.74915 1074.58913
50.0000 -183.30600 -172.08751 11.21848 3.07387 -173.98459 1086.50431
55.0000 -181.54955 -168.69132 12.85824 3.24248 -170.90661 1240.34300
60.0000 -184.71446 -172.84419 11.87027 3.20781 -171.53944 1213.13134
65.0000 -185.18672 -172.38090 12.80582 3.17573 -172.12515 1205.52867
70.0000 -184.75043 -172.86832 11.88212 3.12052 -173.13304 1154.62640
75.0000 -184.40313 -172.46843 11.93470 3.17722 -172.09796 1168.95304
80.0000 -183.01429 -170.51985 12.49444 3.17169 -172.19894 1202.00423
85.0000 -185.08185 -169.84642 15.23543 3.26809 -170.43903 1265.77534
90.0000 -184.47289 -173.57806 10.89483 3.15201 -172.55812 1162.31219
95.0000 -183.26898 -171.61143 11.65755 3.14486 -172.68861 1162.90834
100.0000 -185.57329 -172.81435 12.75894 3.19841 -171.71112 1201.76825
105.0000 -182.87125 -169.98238 12.88887 3.19675 -171.74143 1184.96113
110.0000 -183.87954 -171.68076 12.19878 3.21569 -171.39568 1203.29373
115.0000 -186.97275 -172.72515 14.24760 3.19830 -171.71303 1224.24867
120.0000 -184.83634 -172.83523 12.00111 3.17588 -172.12239 1190.16414
125.0000 -183.29509 -171.40456 11.89053 3.14733 -172.64348 1173.55223
130.0000 -183.90115 -172.70605 11.19510 3.24916 -170.78465 1215.96033
135.0000 -182.74874 -172.19543 10.55331 3.15485 -172.50620 1176.33485
140.0000 -185.12444 -173.10665 12.01779 3.17213 -172.19090 1160.39800
145.0000 -183.90982 -171.80023 12.10959 3.15732 -172.46128 1161.37753
150.0000 -183.33331 -170.58925 12.74406 3.24395 -170.87975 1263.94205
155.0000 -185.26298 -172.30439 12.95858 3.24454 -170.86889 1251.80063
160.0000 -184.76416 -172.77029 11.99387 3.14313 -172.72031 1161.07692
165.0000 -184.97825 -174.48728 10.49097 3.12690 -173.01657 1149.11382
170.0000 -184.97926 -174.24898 10.73028 3.00824 -175.18269 1062.88769
175.0000 -184.35004 -171.97556 12.37448 3.15065 -172.58300 1156.15903
180.0000 -185.77522 -174.49961 11.27561 3.07093 -174.03837 1129.79867
185.0000 -185.66115 -173.04590 12.61525 3.09105 -173.67095 1152.88752
190.0000 -186.56117 -174.61190 11.94927 3.07122 -174.03302 1122.02548
195.0000 -185.68301 -173.13592 12.54709 3.05410 -174.34553 1084.75848
200.0000 -184.73669 -173.23503 11.50166 3.13655 -172.84040 1179.69672
205.0000 -185.47574 -172.74934 12.72640 3.19559 -171.76260 1220.27360
210.0000 -183.18128 -170.70747 12.47382 3.21696 -171.37243 1202.24058
215.0000 -183.66773 -170.70811 12.95962 3.23222 -171.09384 1219.51669
220.0000 -187.12473 -175.86184 11.26289 3.09069 -173.67748 1151.78098
225.0000 -185.22457 -173.21995 12.00462 3.06421 -174.16102 1109.99106
230.0000 -183.86489 -171.49696 12.36793 3.10084 -173.49225 1125.84934
235.0000 -181.82175 -170.45263 11.36912 3.21120 -171.47763 1201.44934
240.0000 -185.60864 -173.93336 11.67528 3.13804 -172.81322 1203.51218
245.0000 -183.65287 -171.22001 12.43285 3.12308 -173.08621 1167.65466
250.0000 -186.35019 -174.41570 11.93449 3.07573 -173.95071 1121.23862
FREEZING PROCESS: loop number 2 T-loop= 1147.0000000000000
main_MD> interactions number 2 at Temperature= 1147.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.20828 -0.15562 1.67950
force_rgl> df(natom) 0.54663 -1.36554 2.32515
255.0000 -187.01510 -177.41874 9.59636 2.98940 -175.52674 1053.21408
260.0000 -186.93567 -175.81222 11.12345 2.98559 -175.59620 1050.10409
265.0000 -186.92691 -176.50155 10.42536 2.99894 -175.35243 1069.74741
270.0000 -187.50622 -178.42856 9.07766 2.91845 -176.82183 1040.16332
275.0000 -187.33253 -178.80131 8.53122 2.85442 -177.99087 980.05078
280.0000 -187.58107 -177.52730 10.05377 2.81263 -178.75367 978.57552
285.0000 -186.78162 -176.04758 10.73405 2.92074 -176.78009 1053.57213
290.0000 -183.06332 -173.07106 9.99226 3.07077 -174.04120 1105.46989
295.0000 -184.60206 -173.36723 11.23483 3.12424 -173.06502 1150.78552
300.0000 -185.18017 -173.34682 11.83335 3.07147 -174.02844 1109.61569
305.0000 -183.74638 -173.58566 10.16072 3.06666 -174.11624 1087.11908
310.0000 -184.07589 -173.65788 10.41801 3.07655 -173.93569 1076.25835
315.0000 -184.00752 -173.99339 10.01413 3.04864 -174.44520 1101.49897
320.0000 -186.95667 -175.65588 11.30079 3.05196 -174.38460 1099.17971
325.0000 -184.92009 -172.32774 12.59235 3.10765 -173.36791 1135.08601
330.0000 -185.27522 -172.08350 13.19173 3.13185 -172.92622 1140.71767
335.0000 -184.79427 -174.88824 9.90603 3.06633 -174.12222 1113.67241
340.0000 -185.51709 -173.30732 12.20977 3.10075 -173.49385 1137.81194
345.0000 -185.61019 -174.91525 10.69494 3.07716 -173.92464 1124.98935
350.0000 -187.14791 -177.12105 10.02685 3.00902 -175.16858 1106.76619
355.0000 -184.93373 -172.08295 12.85078 3.03620 -174.67229 1120.34551
360.0000 -184.71347 -174.48943 10.22403 3.09405 -173.61631 1128.82147
365.0000 -182.90772 -172.38675 10.52097 3.09444 -173.60912 1113.44108
370.0000 -183.05236 -169.27123 13.78112 3.20972 -171.50457 1169.62899
375.0000 -182.65829 -171.70451 10.95378 3.29753 -169.90154 1287.29543
380.0000 -185.12995 -173.96978 11.16016 3.17588 -172.12235 1155.15663
385.0000 -186.08266 -175.79828 10.28439 3.05568 -174.31666 1122.00818
390.0000 -185.16723 -174.30158 10.86565 3.01506 -175.05829 1065.18705
395.0000 -185.77232 -174.16655 11.60577 3.00051 -175.32379 1069.52051
400.0000 -184.48019 -173.06230 11.41790 3.12759 -173.00399 1148.19716
405.0000 -186.19450 -173.30012 12.89438 3.07982 -173.87605 1089.66294
410.0000 -181.65757 -170.79144 10.86613 3.21692 -171.37311 1218.61399
415.0000 -182.48152 -169.57396 12.90756 3.27571 -170.29998 1238.44974
420.0000 -185.30964 -172.58025 12.72939 3.22867 -171.15870 1218.21095
425.0000 -184.77755 -172.82833 11.94923 3.03509 -174.69250 1075.05301
430.0000 -182.18915 -172.81773 9.37141 3.14085 -172.76190 1166.36482
435.0000 -183.04881 -171.78771 11.26110 3.20880 -171.52139 1224.32056
440.0000 -186.78242 -176.46685 10.31557 3.02559 -174.86605 1103.24867
445.0000 -185.32356 -174.10722 11.21634 3.03708 -174.65626 1114.85839
450.0000 -184.99162 -175.09512 9.89650 3.03401 -174.71234 1087.11469
455.0000 -187.56609 -176.09734 11.46874 3.00648 -175.21491 1079.86476
460.0000 -187.79360 -177.04450 10.74910 2.94737 -176.29393 1033.57785
465.0000 -186.14816 -176.12104 10.02712 2.96116 -176.04216 1087.68424
470.0000 -184.29661 -173.58429 10.71233 3.04742 -174.46743 1115.77429
475.0000 -186.80934 -175.49912 11.31022 3.02074 -174.95456 1130.56498
480.0000 -187.13067 -177.20368 9.92699 2.95284 -176.19414 1037.15574
485.0000 -184.75885 -172.69704 12.06180 3.00153 -175.30523 1094.28400
490.0000 -182.14634 -172.69558 9.45077 3.14165 -172.74729 1174.05673
495.0000 -183.68001 -173.70502 9.97499 3.09175 -173.65819 1134.65067
500.0000 -187.14262 -174.00103 13.14160 3.08217 -173.83315 1124.10881
FREEZING PROCESS: loop number 3 T-loop= 1122.0000000000000
main_MD> interactions number 3 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32721 -1.01432 2.12161
force_rgl> df(natom) 1.06473 0.69503 -0.19078
505.0000 -184.92525 -174.47750 10.44776 2.99595 -175.40703 1095.16176
510.0000 -185.60980 -176.37534 9.23446 3.06491 -174.14818 1113.72662
515.0000 -187.07719 -175.02602 12.05116 3.01536 -175.05278 1087.62882
520.0000 -184.49277 -173.58464 10.90813 3.09201 -173.65346 1145.86962
525.0000 -184.86793 -173.44614 11.42179 3.07853 -173.89947 1118.78274
530.0000 -183.81561 -172.16339 11.65222 3.08694 -173.74606 1149.79290
535.0000 -184.05063 -173.14144 10.90918 3.13377 -172.89117 1162.01568
540.0000 -186.70784 -173.22008 13.48777 3.13135 -172.93522 1133.07199
545.0000 -185.47878 -174.18398 11.29480 3.08038 -173.86569 1122.81231
550.0000 -186.54961 -176.20292 10.34669 3.00689 -175.20733 1077.20333
555.0000 -183.29714 -171.48838 11.80876 3.04057 -174.59261 1098.68152
560.0000 -183.17675 -170.80646 12.37029 3.17317 -172.17179 1160.97401
565.0000 -185.88802 -174.24850 11.63951 3.15052 -172.58531 1156.83727
570.0000 -184.64205 -173.50316 11.13889 3.08492 -173.78288 1120.13164
575.0000 -185.26651 -175.41531 9.85120 3.10696 -173.38046 1115.31524
580.0000 -187.32740 -176.14410 11.18330 2.99481 -175.42784 1056.91084
585.0000 -186.39346 -174.61521 11.77825 2.99305 -175.46002 1076.45731
590.0000 -184.45079 -175.19898 9.25181 3.00928 -175.16376 1089.94106
595.0000 -186.32323 -175.09621 11.22702 3.06294 -174.18419 1149.16394
600.0000 -185.34495 -174.47795 10.86699 3.05242 -174.37614 1126.75725
605.0000 -186.17332 -173.82172 12.35159 3.07060 -174.04429 1136.71419
610.0000 -183.81034 -172.58866 11.22168 3.10246 -173.46274 1151.30486
615.0000 -186.85741 -176.39303 10.46437 3.06415 -174.16213 1121.26621
620.0000 -183.59609 -171.18407 12.41202 3.02355 -174.90332 1102.50538
625.0000 -185.38864 -172.81731 12.57134 3.17774 -172.08834 1212.26769
630.0000 -182.15217 -171.47810 10.67407 3.12482 -173.05458 1191.36368
635.0000 -186.09924 -175.61215 10.48709 3.08947 -173.69985 1153.54597
640.0000 -185.33203 -173.78813 11.54391 3.06208 -174.19978 1126.84017
645.0000 -186.47087 -175.93437 10.53650 3.02025 -174.96357 1079.42645
650.0000 -185.21877 -175.39018 9.82859 3.02740 -174.83305 1052.09724
655.0000 -184.78947 -173.97874 10.81073 3.00497 -175.24250 1052.39661
660.0000 -185.99913 -173.64929 12.34984 3.03880 -174.62487 1110.67338
665.0000 -187.29883 -175.94222 11.35660 3.05767 -174.28037 1133.63329
670.0000 -185.69356 -175.17442 10.51914 2.98647 -175.58021 1044.60150
675.0000 -182.31417 -171.09491 11.21926 3.14684 -172.65259 1152.38550
680.0000 -184.85881 -171.08184 13.77697 3.25786 -170.62571 1233.67209
685.0000 -186.74301 -175.41228 11.33073 3.12018 -173.13922 1136.22159
690.0000 -184.74222 -172.62597 12.11625 3.07732 -173.92170 1139.49358
695.0000 -185.10902 -173.60473 11.50429 3.10653 -173.38835 1139.58409
700.0000 -185.98080 -174.00463 11.97617 3.09891 -173.52753 1128.64691
705.0000 -185.86000 -174.78884 11.07116 2.99392 -175.44413 1080.94288
710.0000 -183.82643 -171.89459 11.93183 3.06734 -174.10392 1130.23589
715.0000 -186.27189 -174.84003 11.43186 3.13267 -172.91115 1160.42387
720.0000 -186.03602 -176.11831 9.91771 2.98852 -175.54273 1081.86565
725.0000 -185.84008 -174.46947 11.37061 2.96909 -175.89741 1060.29768
730.0000 -187.94419 -177.61050 10.33369 2.93389 -176.53999 1049.74798
735.0000 -186.70320 -174.39146 12.31175 3.05584 -174.31378 1109.29668
740.0000 -187.14693 -176.41077 10.73615 2.98730 -175.56508 1096.10743
745.0000 -185.98016 -174.40305 11.57711 3.05887 -174.25838 1142.37661
750.0000 -184.96531 -171.51325 13.45206 3.09717 -173.55931 1174.22978
FREEZING PROCESS: loop number 4 T-loop= 1097.0000000000000
main_MD> interactions number 4 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.86340 0.74557 -3.68544
force_rgl> df(natom) 2.35610 -2.41579 -1.61322
755.0000 -184.40168 -172.10345 12.29823 3.14533 -172.68008 1186.61854
760.0000 -185.22857 -175.55091 9.67765 3.09108 -173.67038 1137.68207
765.0000 -184.60430 -172.24779 12.35651 3.06072 -174.22469 1099.17233
770.0000 -186.92910 -176.09110 10.83800 3.07288 -174.00275 1102.39676
775.0000 -184.15291 -172.56683 11.58608 3.09285 -173.63807 1148.03001
780.0000 -183.27758 -172.04583 11.23175 3.15954 -172.42057 1151.03230
785.0000 -183.11385 -173.18724 9.92661 3.23571 -171.03021 1219.05596
790.0000 -184.78992 -171.03589 13.75403 3.12261 -173.09481 1148.65472
795.0000 -185.45023 -173.24940 12.20083 3.16693 -172.28584 1197.94980
800.0000 -184.10901 -171.55691 12.55210 3.14149 -172.75021 1173.06111
805.0000 -185.24583 -175.41790 9.82793 3.07204 -174.01805 1086.60435
810.0000 -184.75386 -173.18229 11.57157 3.00787 -175.18952 1072.49674
815.0000 -184.23416 -170.77900 13.45516 3.14681 -172.65300 1166.69137
820.0000 -183.98187 -171.11843 12.86344 3.25418 -170.69292 1227.74490
825.0000 -183.47590 -173.00517 10.47073 3.17156 -172.20132 1169.43694
830.0000 -184.42395 -173.06742 11.35653 3.12083 -173.12730 1176.84894
835.0000 -181.21942 -172.05236 9.16705 3.08166 -173.84235 1117.03420
840.0000 -184.83279 -174.27557 10.55722 3.09922 -173.52190 1164.34342
845.0000 -186.13230 -176.49836 9.63393 3.06714 -174.10755 1145.62651
850.0000 -186.03887 -175.22237 10.81649 2.94546 -176.32880 1025.33364
855.0000 -185.57673 -174.78664 10.79009 3.00853 -175.17749 1091.45098
860.0000 -187.16280 -176.90782 10.25497 2.95214 -176.20684 1051.62858
865.0000 -186.91021 -175.12953 11.78069 3.01729 -175.01747 1114.38078
870.0000 -185.70262 -174.06204 11.64058 3.02168 -174.93735 1116.98209
875.0000 -187.32549 -175.62129 11.70420 3.04870 -174.44407 1104.15900
880.0000 -185.86106 -173.71376 12.14730 3.03255 -174.73897 1079.01847
885.0000 -184.34045 -172.43923 11.90122 3.10468 -173.42214 1153.48834
890.0000 -186.26165 -174.46916 11.79250 3.12282 -173.09109 1152.63509
895.0000 -186.67138 -174.59847 12.07292 3.08179 -173.83998 1140.82961
900.0000 -186.44911 -176.43768 10.01142 2.98559 -175.59621 1056.34646
905.0000 -189.04152 -178.91527 10.12625 2.81679 -178.67777 953.07375
910.0000 -187.48926 -177.30095 10.18830 2.88300 -177.46907 1000.92256
915.0000 -185.49964 -174.67350 10.82614 2.99449 -175.43367 1066.90754
920.0000 -186.46810 -174.30551 12.16259 3.07720 -173.92377 1154.76039
925.0000 -186.70390 -175.31684 11.38705 3.07873 -173.89581 1113.06964
930.0000 -185.20172 -173.91706 11.28466 3.05523 -174.32492 1083.24057
935.0000 -185.75161 -172.32173 13.42988 3.12624 -173.02863 1148.65883
940.0000 -184.00122 -172.38506 11.61616 3.20137 -171.65710 1198.10396
945.0000 -186.10449 -174.84320 11.26129 3.09432 -173.61125 1103.67061
950.0000 -187.79072 -177.24376 10.54696 2.95167 -176.21543 1038.49456
955.0000 -186.40763 -176.44159 9.96604 2.92468 -176.70822 1014.87388
960.0000 -187.86372 -176.02107 11.84265 2.98852 -175.54282 1083.39058
965.0000 -186.97783 -177.36913 9.60870 2.97935 -175.71019 1065.50048
970.0000 -187.94299 -178.00761 9.93537 2.86518 -177.79441 986.68470
975.0000 -187.06245 -177.39229 9.67016 2.87123 -177.68395 982.51610
980.0000 -187.15176 -176.19365 10.95811 2.91105 -176.95706 1027.89829
985.0000 -185.62734 -175.38460 10.24273 2.99685 -175.39072 1061.45445
990.0000 -184.06822 -173.93666 10.13157 3.00569 -175.22931 1084.92868
995.0000 -184.50423 -173.46725 11.03699 3.09870 -173.53129 1152.94599
1000.0000 -186.43060 -176.34628 10.08432 3.00186 -175.29917 1071.95671
FREEZING PROCESS: loop number 5 T-loop= 1072.0000000000000
main_MD> interactions number 5 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52861 0.70578 -2.05413
force_rgl> df(natom) 2.77603 2.71689 3.21671
1005.0000 -187.20730 -177.65459 9.55271 2.91310 -176.91950 1055.02516
1010.0000 -188.26738 -177.30846 10.95891 2.86077 -177.87484 965.58956
1015.0000 -185.68977 -176.14738 9.54239 2.95566 -176.14255 999.55450
1020.0000 -187.49294 -176.21499 11.27795 2.98301 -175.64341 1048.47122
1025.0000 -187.45134 -176.87295 10.57840 2.91831 -176.82448 1036.62378
1030.0000 -186.75407 -176.03600 10.71807 2.97564 -175.77779 1070.50448
1035.0000 -184.77578 -174.87423 9.90155 2.96908 -175.89754 1057.56501
1040.0000 -184.92685 -173.00454 11.92231 3.07543 -173.95620 1143.34881
1045.0000 -187.20981 -177.46980 9.74001 2.95545 -176.14639 1008.41823
1050.0000 -187.88857 -176.89825 10.99033 2.86447 -177.80728 957.41376
1055.0000 -188.07329 -176.79267 11.28063 2.94586 -176.32159 1033.23952
1060.0000 -185.53734 -172.58495 12.95239 3.01251 -175.10475 1100.23423
1065.0000 -187.06952 -175.42543 11.64409 3.05136 -174.39562 1115.80607
1070.0000 -182.89924 -173.84261 9.05663 3.07164 -174.02533 1153.33425
1075.0000 -184.62980 -172.19307 12.43673 3.11020 -173.32131 1192.76924
1080.0000 -184.79027 -175.12479 9.66548 3.06538 -174.13970 1107.59600
1085.0000 -186.25852 -176.13418 10.12434 3.02380 -174.89874 1095.11706
1090.0000 -184.94355 -172.48517 12.45838 3.01711 -175.02073 1066.58222
1095.0000 -185.01952 -174.07723 10.94229 3.11717 -173.19421 1163.18013
1100.0000 -185.98541 -176.70943 9.27598 2.93446 -176.52959 1042.54577
1105.0000 -186.10892 -175.31801 10.79091 2.97650 -175.76222 1040.33946
1110.0000 -184.66587 -174.62895 10.03692 2.97024 -175.87641 1073.21469
1115.0000 -185.28663 -174.31887 10.96775 3.01415 -175.07481 1047.48650
1120.0000 -187.73271 -178.87629 8.85642 2.96047 -176.05478 1031.86748
1125.0000 -187.32942 -176.51871 10.81071 2.87208 -177.66846 990.76400
1130.0000 -185.08270 -173.79879 11.28391 3.02145 -174.94165 1096.67330
1135.0000 -186.63264 -175.63455 10.99809 3.04949 -174.42975 1110.25630
1140.0000 -188.71933 -177.83358 10.88575 2.91145 -176.94971 1021.21613
1145.0000 -187.91508 -177.06996 10.84512 2.83724 -178.30447 978.99364
1150.0000 -186.33571 -175.07117 11.26454 2.93407 -176.53671 1058.30513
1155.0000 -186.49653 -176.30638 10.19015 2.99760 -175.37698 1066.70249
1160.0000 -186.17391 -175.90285 10.27107 2.84721 -178.12243 1002.09840
1165.0000 -186.30634 -175.73385 10.57248 2.95558 -176.14415 1045.42116
1170.0000 -186.74448 -176.05061 10.69387 2.96807 -175.91607 1056.89830
1175.0000 -185.84311 -175.08108 10.76203 2.98717 -175.56730 1026.42445
1180.0000 -185.60207 -173.10078 12.50129 3.08337 -173.81111 1140.28780
1185.0000 -186.07883 -177.48213 8.59670 2.98921 -175.53016 1087.68639
1190.0000 -187.82545 -177.41409 10.41136 2.84724 -178.12185 969.83218
1195.0000 -189.68078 -179.84270 9.83808 2.79872 -179.00767 954.44531
1200.0000 -186.28790 -176.43781 9.85009 2.86900 -177.72464 952.44322
1205.0000 -186.47213 -177.02565 9.44648 2.94520 -176.33352 1016.40865
1210.0000 -188.19004 -178.76151 9.42853 2.86312 -177.83206 1007.73767
1215.0000 -189.27956 -177.50921 11.77035 2.86202 -177.85207 998.48544
1220.0000 -187.89775 -178.77817 9.11959 2.93336 -176.54978 1025.85984
1225.0000 -186.84838 -175.59726 11.25112 2.83992 -178.25550 956.69838
1230.0000 -185.87815 -175.06450 10.81366 3.01832 -174.99866 1082.98454
1235.0000 -184.81777 -175.65490 9.16287 3.02763 -174.82878 1085.80829
1240.0000 -185.98105 -175.19311 10.78794 2.97801 -175.73468 1052.62551
1245.0000 -185.72587 -175.09065 10.63521 2.92330 -176.73331 1017.23308
1250.0000 -186.11399 -174.68724 11.42675 3.05725 -174.28803 1099.03128
FREEZING PROCESS: loop number 6 T-loop= 1047.0000000000000
main_MD> interactions number 6 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34714 0.36459 -4.40957
force_rgl> df(natom) 3.44121 5.05273 2.04950
1255.0000 -187.11791 -176.58553 10.53239 3.03480 -174.69778 1102.33192
1260.0000 -185.82592 -175.94341 9.88251 2.93071 -176.59817 1032.52225
1265.0000 -185.93559 -174.26038 11.67522 3.02141 -174.94224 1092.85477
1270.0000 -186.11986 -176.91585 9.20401 3.04158 -174.57405 1078.69125
1275.0000 -186.29256 -175.38394 10.90862 2.98945 -175.52576 1062.83033
1280.0000 -187.43775 -177.19958 10.23817 2.95942 -176.07389 1050.89209
1285.0000 -188.00835 -177.91967 10.08868 2.91844 -176.82211 1023.81773
1290.0000 -188.80941 -178.15838 10.65103 2.86586 -177.78202 971.97283
1295.0000 -187.63772 -178.96918 8.66854 2.86327 -177.82927 980.65001
1300.0000 -189.53946 -180.41419 9.12527 2.73352 -180.19797 881.84941
1305.0000 -186.64874 -176.97365 9.67509 2.80236 -178.94124 971.57984
1310.0000 -187.28103 -176.82322 10.45781 2.93186 -176.57718 999.20866
1315.0000 -185.63777 -175.76249 9.87529 2.95280 -176.19489 1018.82630
1320.0000 -186.67803 -174.80541 11.87262 2.96239 -176.01968 1053.25879
1325.0000 -187.38403 -176.79211 10.59191 2.96820 -175.91368 1068.34796
1330.0000 -187.38563 -177.24208 10.14355 2.83194 -178.40112 979.88463
1335.0000 -186.61531 -176.40354 10.21178 2.86243 -177.84466 958.50564
1340.0000 -187.77043 -177.12609 10.64434 2.91073 -176.96286 1017.11905
1345.0000 -189.01789 -178.66215 10.35575 2.82474 -178.53271 967.45222
1350.0000 -186.21830 -176.32908 9.88922 2.89319 -177.28313 1022.13689
1355.0000 -187.35459 -177.89629 9.45830 2.85327 -178.01173 990.86600
1360.0000 -188.86194 -178.64375 10.21819 2.81764 -178.66221 954.83716
1365.0000 -184.78907 -174.78709 10.00198 2.89608 -177.23022 1025.90439
1370.0000 -185.40556 -175.90449 9.50107 3.01303 -175.09526 1086.27105
1375.0000 -189.14225 -177.91959 11.22266 2.86478 -177.80161 969.32000
1380.0000 -186.47127 -176.93496 9.53630 2.90991 -176.97779 999.72783
1385.0000 -187.91979 -178.15603 9.76376 2.90053 -177.14912 1013.48424
1390.0000 -186.41099 -176.43124 9.97975 2.83970 -178.25959 996.78659
1395.0000 -187.78015 -177.60402 10.17613 2.91972 -176.79870 1012.88908
1400.0000 -187.62317 -175.90396 11.71921 2.88967 -177.34727 1005.99378
1405.0000 -187.53155 -175.82309 11.70845 2.98441 -175.61769 1067.58732
1410.0000 -186.50687 -173.31227 13.19460 2.99971 -175.33844 1079.47522
1415.0000 -185.35494 -173.78522 11.56972 3.07887 -173.89337 1122.31675
1420.0000 -185.07165 -174.69126 10.38038 3.06395 -174.16576 1111.40108
1425.0000 -186.09792 -174.91129 11.18664 3.04023 -174.59875 1075.73230
1430.0000 -187.25054 -174.27674 12.97380 3.09379 -173.62096 1129.80964
1435.0000 -185.30906 -174.81255 10.49651 3.05833 -174.26833 1117.26331
1440.0000 -185.15699 -174.64016 10.51683 3.06030 -174.23242 1091.46294
1445.0000 -183.36736 -172.07604 11.29132 3.12634 -173.02681 1143.88261
1450.0000 -185.63671 -174.51474 11.12197 3.09383 -173.62029 1115.56386
1455.0000 -185.79622 -174.72470 11.07152 3.06947 -174.06491 1138.61685
1460.0000 -185.34725 -174.84496 10.50229 2.98003 -175.69765 1071.14065
1465.0000 -184.65542 -174.77680 9.87863 3.00760 -175.19447 1042.24461
1470.0000 -186.51796 -176.82110 9.69686 2.96924 -175.89471 1040.84350
1475.0000 -186.07352 -175.91992 10.15360 2.91500 -176.88485 1047.84285
1480.0000 -185.71107 -175.48563 10.22544 2.99603 -175.40573 1076.58239
1485.0000 -185.55560 -175.17632 10.37928 2.97435 -175.80142 1071.53766
1490.0000 -187.18956 -174.54325 12.64632 3.02200 -174.93158 1116.85652
1495.0000 -185.96726 -174.89322 11.07404 3.02886 -174.80638 1112.19552
1500.0000 -187.14092 -177.46098 9.67994 3.02184 -174.93450 1088.08986
FREEZING PROCESS: loop number 7 T-loop= 1022.0000000000000
main_MD> interactions number 7 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11603 -0.73047 1.06007
force_rgl> df(natom) -5.04237 0.20866 -0.16683
1505.0000 -186.88662 -177.04825 9.83837 2.88100 -177.50561 985.45586
1510.0000 -187.45204 -176.47691 10.97513 2.96392 -175.99178 1075.35356
1515.0000 -186.14328 -173.77857 12.36470 3.00756 -175.19519 1102.60164
1520.0000 -186.98864 -174.67634 12.31230 3.08981 -173.69359 1151.47726
1525.0000 -186.32647 -176.56928 9.75719 3.01878 -174.99036 1087.99682
1530.0000 -186.40841 -176.45109 9.95732 2.92550 -176.69323 1020.42170
1535.0000 -186.91503 -177.91058 9.00445 2.93597 -176.50198 1016.23865
1540.0000 -187.38731 -178.38351 9.00380 2.87327 -177.64675 984.55431
1545.0000 -188.40528 -180.08731 8.31797 2.77377 -179.46322 927.37608
1550.0000 -189.98606 -178.26788 11.71818 2.80356 -178.91930 970.51533
1555.0000 -185.25155 -175.58576 9.66579 2.90619 -177.04567 1016.47704
1560.0000 -188.26361 -178.82761 9.43600 2.88560 -177.42161 987.10292
1565.0000 -187.54223 -177.84249 9.69973 2.81981 -178.62269 962.76433
1570.0000 -187.32419 -175.94913 11.37505 2.91617 -176.86358 1003.17014
1575.0000 -184.32708 -174.07922 10.24786 3.00874 -175.17368 1075.19284
1580.0000 -185.71160 -176.02581 9.68579 3.02237 -174.92477 1068.45947
1585.0000 -186.68894 -176.96125 9.72769 2.92040 -176.78626 1014.34546
1590.0000 -187.81297 -177.56851 10.24446 2.87969 -177.52942 981.61640
1595.0000 -187.33912 -177.50590 9.83322 2.82643 -178.50187 973.78796
1600.0000 -187.40655 -176.70747 10.69908 2.92141 -176.76788 1023.67340
1605.0000 -187.17788 -176.82308 10.35480 2.92323 -176.73466 1001.36061
1610.0000 -186.95208 -177.53286 9.41922 2.87952 -177.53265 974.36484
1615.0000 -186.07624 -174.98273 11.09351 2.90635 -177.04283 994.61239
1620.0000 -187.71126 -176.82860 10.88266 2.94871 -176.26956 1032.59029
1625.0000 -185.80727 -176.63893 9.16834 2.97615 -175.76856 1081.58447
1630.0000 -188.04189 -177.38573 10.65616 2.93412 -176.53578 1047.52403
1635.0000 -187.36768 -176.35504 11.01264 2.94379 -176.35934 1062.88192
1640.0000 -186.25324 -175.82045 10.43280 3.02154 -174.93989 1094.69675
1645.0000 -186.43988 -175.18175 11.25814 2.99532 -175.41858 1062.75150
1650.0000 -186.76210 -177.67553 9.08657 2.95601 -176.13630 1051.27419
1655.0000 -186.99264 -177.44037 9.55226 2.87227 -177.66504 1022.02049
1660.0000 -185.93889 -175.84803 10.09086 2.88296 -177.46971 1017.06592
1665.0000 -185.89527 -175.54040 10.35488 3.00307 -175.27712 1117.12819
1670.0000 -186.60294 -175.42439 11.17856 3.08589 -173.76526 1149.23227
1675.0000 -187.86121 -178.03739 9.82382 2.94140 -176.40292 1036.98009
1680.0000 -187.40004 -177.66000 9.74004 2.87357 -177.64122 1012.88924
1685.0000 -185.32534 -174.82500 10.50034 2.84565 -178.15084 961.22698
1690.0000 -186.98866 -175.45209 11.53657 2.96769 -175.92307 1040.85684
1695.0000 -188.04725 -178.90807 9.13917 2.88095 -177.50655 992.53920
1700.0000 -187.88075 -177.79326 10.08749 2.85797 -177.92601 985.03792
1705.0000 -189.31211 -178.72756 10.58454 2.85848 -177.91674 969.94622
1710.0000 -186.42631 -176.39237 10.03395 2.87187 -177.67217 985.51369
1715.0000 -184.23576 -175.51497 8.72079 2.93332 -176.55048 985.08006
1720.0000 -186.80987 -175.73777 11.07210 2.98355 -175.63348 1039.37958
1725.0000 -186.74103 -175.21880 11.52223 2.99321 -175.45703 1035.19012
1730.0000 -186.15073 -176.39803 9.75270 2.96623 -175.94972 1031.13096
1735.0000 -188.68325 -176.63789 12.04536 2.94986 -176.24851 1047.16017
1740.0000 -189.07523 -178.62131 10.45393 2.83786 -178.29314 974.34588
1745.0000 -190.12169 -181.05467 9.06701 2.68856 -181.01860 859.07747
1750.0000 -185.91657 -176.48131 9.43527 2.81668 -178.67982 959.56057
FREEZING PROCESS: loop number 8 T-loop= 997.00000000000000
main_MD> interactions number 8 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.76375 5.02396 -1.11892
force_rgl> df(natom) -4.43914 -0.15658 8.00454
1755.0000 -188.49375 -178.60538 9.88837 2.88888 -177.36179 1015.93783
1760.0000 -187.18073 -179.01924 8.16149 2.83166 -178.40639 937.75757
1765.0000 -185.50549 -176.37840 9.12708 2.90539 -177.06029 988.20500
1770.0000 -187.93777 -177.52690 10.41087 2.87611 -177.59488 985.46246
1775.0000 -188.18415 -179.35921 8.82495 2.82663 -178.49811 964.25897
1780.0000 -189.29910 -180.49521 8.80388 2.75013 -179.89462 911.82867
1785.0000 -187.55767 -179.00679 8.55088 2.73761 -180.12327 902.18644
1790.0000 -187.68929 -178.61380 9.07549 2.83946 -178.26392 980.75725
1795.0000 -188.47212 -178.06215 10.40996 2.82315 -178.56161 941.12442
1800.0000 -188.26823 -177.74446 10.52377 2.84945 -178.08153 984.12103
1805.0000 -187.52353 -177.92562 9.59790 2.86344 -177.82621 963.38722
1810.0000 -186.96455 -176.80717 10.15738 2.84833 -178.10198 961.18541
1815.0000 -188.84579 -178.36546 10.48033 2.85649 -177.95294 969.54453
1820.0000 -187.36363 -177.52050 9.84313 2.88086 -177.50811 1001.42268
1825.0000 -189.52324 -177.92525 11.59798 2.85790 -177.92732 993.18501
1830.0000 -188.69976 -177.06417 11.63559 2.87156 -177.67800 1016.05598
1835.0000 -187.11347 -177.46063 9.65284 2.89445 -177.26003 1007.72436
1840.0000 -186.37708 -175.21428 11.16280 3.00670 -175.21093 1061.50785
1845.0000 -186.13092 -175.42177 10.70915 2.98638 -175.58173 1078.17647
1850.0000 -186.91938 -176.22539 10.69399 2.95699 -176.11835 1028.57515
1855.0000 -187.98825 -175.77682 12.21143 2.95024 -176.24162 1055.37252
1860.0000 -187.77579 -177.11066 10.66513 2.97564 -175.77783 1058.58671
1865.0000 -188.99395 -178.43569 10.55825 2.89403 -177.26767 1013.51133
1870.0000 -187.00248 -175.81121 11.19127 2.92637 -176.67739 1003.57504
1875.0000 -183.45543 -172.49264 10.96280 3.05187 -174.38621 1101.28408
1880.0000 -187.88671 -176.40968 11.47703 2.99663 -175.39472 1068.14815
1885.0000 -186.84096 -176.58323 10.25773 2.95102 -176.22729 1068.57676
1890.0000 -189.13543 -178.37985 10.75558 2.87397 -177.63388 1001.95744
1895.0000 -186.66525 -177.41853 9.24672 2.84552 -178.15327 961.45595
1900.0000 -186.25020 -176.86767 9.38253 2.96769 -175.92298 1052.58411
1905.0000 -189.15613 -179.90583 9.25030 2.82330 -178.55894 946.62171
1910.0000 -189.05553 -177.98046 11.07507 2.77506 -179.43961 963.93911
1915.0000 -189.00905 -179.26495 9.74410 2.78325 -179.29003 932.44757
1920.0000 -189.89718 -180.33864 9.55854 2.73182 -180.22897 898.88783
1925.0000 -187.82276 -179.61199 8.21077 2.77735 -179.39785 890.88888
1930.0000 -185.86115 -177.37897 8.48217 2.83070 -178.42384 956.40612
1935.0000 -188.21926 -179.13000 9.08925 2.83801 -178.29032 987.88511
1940.0000 -188.75070 -178.94691 9.80380 2.82821 -178.46931 963.15420
1945.0000 -187.44740 -176.40864 11.03876 2.85011 -178.06949 978.10960
1950.0000 -187.85549 -177.94096 9.91453 2.85948 -177.89847 997.26422
1955.0000 -185.73330 -175.44792 10.28539 2.92406 -176.71942 994.56970
1960.0000 -186.53921 -176.94533 9.59388 2.98980 -175.51932 1053.45705
1965.0000 -187.57672 -177.57631 10.00040 2.86127 -177.86576 987.01142
1970.0000 -187.16339 -177.52430 9.63909 2.87826 -177.55567 1003.51898
1975.0000 -186.69171 -175.45760 11.23411 2.97347 -175.81754 1045.55713
1980.0000 -188.96493 -178.76548 10.19946 2.93678 -176.48724 1024.87546
1985.0000 -189.77173 -180.65176 9.11998 2.83399 -178.36379 968.58744
1990.0000 -187.52323 -179.36987 8.15336 2.72499 -180.35364 905.24141
1995.0000 -186.40236 -176.84122 9.56114 2.84781 -178.11148 990.10612
2000.0000 -188.21898 -178.40530 9.81368 2.84605 -178.14357 976.28364
FREEZING PROCESS: loop number 9 T-loop= 972.00000000000000
main_MD> interactions number 9 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.52588 5.36747 -3.01826
force_rgl> df(natom) -0.14343 -0.35894 1.18552
2005.0000 -186.39772 -176.57807 9.81965 2.81744 -178.66596 959.58884
2010.0000 -188.53676 -179.32670 9.21006 2.90558 -177.05685 992.66491
2015.0000 -189.93669 -180.30764 9.62905 2.75955 -179.72271 919.99132
2020.0000 -190.09003 -179.78746 10.30257 2.68612 -181.06319 868.65865
2025.0000 -190.32013 -178.73772 11.58241 2.79831 -179.01506 965.00986
2030.0000 -188.35995 -178.72871 9.63124 2.79677 -179.04332 954.75048
2035.0000 -189.47468 -179.60110 9.87358 2.81263 -178.75367 954.36522
2040.0000 -188.18585 -178.54193 9.64392 2.78883 -179.18824 947.05648
2045.0000 -188.36261 -176.67916 11.68345 2.85538 -177.97325 993.17546
2050.0000 -187.42197 -177.21595 10.20603 2.87919 -177.53868 997.17661
2055.0000 -188.51533 -179.11678 9.39855 2.81338 -178.74010 956.10080
2060.0000 -189.44361 -178.18919 11.25442 2.79992 -178.98569 966.43575
2065.0000 -189.18049 -179.19964 9.98085 2.80579 -178.87860 958.23762
2070.0000 -187.99160 -179.83734 8.15426 2.79457 -179.08334 942.33101
2075.0000 -187.35537 -178.11773 9.23764 2.77648 -179.41361 935.42248
2080.0000 -186.21985 -175.97699 10.24286 2.95307 -176.18996 1029.23457
2085.0000 -187.03171 -176.23679 10.79492 2.96941 -175.89157 1061.46802
2090.0000 -188.83610 -177.01061 11.82549 2.91175 -176.94416 1040.25565
2095.0000 -188.53984 -179.06567 9.47417 2.85168 -178.04079 1006.88534
2100.0000 -187.80368 -179.10026 8.70343 2.80260 -178.93682 957.20178
2105.0000 -188.27057 -178.79313 9.47744 2.82453 -178.53642 971.21325
2110.0000 -187.78455 -178.31067 9.47388 2.83456 -178.35343 972.56950
2115.0000 -189.90264 -180.18233 9.72031 2.79391 -179.09555 955.96504
2120.0000 -188.98243 -178.78299 10.19944 2.78030 -179.34391 925.94862
2125.0000 -190.00625 -180.54722 9.45902 2.76106 -179.69516 911.45038
2130.0000 -188.91272 -178.59138 10.32133 2.75007 -179.89578 917.58992
2135.0000 -186.76820 -176.34200 10.42620 2.85606 -177.96088 986.41946
2140.0000 -188.24452 -178.43331 9.81121 2.83245 -178.39195 955.31944
2145.0000 -187.04104 -175.37533 11.66571 2.96805 -175.91649 1036.23482
2150.0000 -186.30868 -176.40000 9.90868 2.98906 -175.53287 1074.03359
2155.0000 -184.62595 -175.61586 9.01009 2.95064 -176.23420 1036.32910
2160.0000 -186.41485 -175.42981 10.98504 3.00377 -175.26443 1070.63832
2165.0000 -186.97943 -176.67911 10.30033 2.95497 -176.15513 1039.81915
2170.0000 -186.40296 -176.13212 10.27085 2.93640 -176.49419 1015.06610
2175.0000 -188.96521 -178.45719 10.50802 2.92555 -176.69231 1035.18017
2180.0000 -187.31427 -179.58877 7.72551 2.75342 -179.83470 930.84080
2185.0000 -188.48261 -180.29299 8.18962 2.74875 -179.91997 929.49716
2190.0000 -190.41199 -179.33959 11.07240 2.72456 -180.36145 888.21087
2195.0000 -190.12180 -179.71056 10.41124 2.79139 -179.14154 978.82662
2200.0000 -187.25250 -176.17896 11.07354 2.80196 -178.94848 965.84803
2205.0000 -188.80850 -177.45232 11.35618 2.92690 -176.66769 1056.79860
2210.0000 -188.24126 -178.30717 9.93409 2.86465 -177.80412 1003.01279
2215.0000 -185.73673 -176.50891 9.22782 2.93988 -176.43074 1026.19919
2220.0000 -187.66173 -179.12613 8.53560 2.88182 -177.49069 992.16456
2225.0000 -188.07748 -178.61068 9.46680 2.74472 -179.99341 922.22554
2230.0000 -189.35728 -178.94148 10.41580 2.74259 -180.03225 929.32508
2235.0000 -187.31511 -178.87274 8.44237 2.79868 -179.00844 964.17000
2240.0000 -187.68982 -178.72651 8.96330 2.79322 -179.10805 917.22804
2245.0000 -187.27670 -176.88755 10.38915 2.91299 -176.92162 1005.42057
2250.0000 -187.29310 -178.58128 8.71182 2.86792 -177.74428 998.90885
FREEZING PROCESS: loop number 10 T-loop= 947.00000000000000
main_MD> interactions number 10 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.91002 0.69125 1.02029
force_rgl> df(natom) -2.37056 0.21864 0.26928
2255.0000 -188.39130 -177.79406 10.59724 2.80243 -178.93985 951.92294
2260.0000 -188.24979 -178.19708 10.05271 2.88183 -177.49049 987.78083
2265.0000 -189.53481 -179.00423 10.53058 2.80464 -178.89956 976.89473
2270.0000 -188.50353 -180.21333 8.29020 2.77370 -179.46432 945.74508
2275.0000 -188.32741 -177.94774 10.37966 2.79517 -179.07237 940.00631
2280.0000 -186.32638 -176.98067 9.34571 2.87667 -177.58459 984.53436
2285.0000 -188.43578 -179.33984 9.09594 2.80477 -178.89713 916.70914
2290.0000 -186.08016 -175.71563 10.36453 2.85889 -177.90923 971.30903
2295.0000 -187.28961 -178.62502 8.66459 2.95263 -176.19790 1030.80504
2300.0000 -189.00124 -179.09810 9.90313 2.86263 -177.84103 953.46920
2305.0000 -189.95614 -178.97933 10.97681 2.81043 -178.79396 971.69720
2310.0000 -190.27332 -180.57017 9.70316 2.74356 -180.01464 918.62079
2315.0000 -189.05749 -179.42783 9.62966 2.76556 -179.61307 921.20135
2320.0000 -189.37326 -179.63942 9.73385 2.83542 -178.33774 986.93731
2325.0000 -189.70213 -180.88828 8.81385 2.72355 -180.37986 878.71455
2330.0000 -188.05290 -178.78163 9.27127 2.77419 -179.45545 943.21865
2335.0000 -188.91610 -180.67332 8.24278 2.77471 -179.44600 912.32751
2340.0000 -188.85096 -179.74286 9.10810 2.72479 -180.35723 877.07187
2345.0000 -188.05180 -179.58391 8.46789 2.75636 -179.78094 886.07629
2350.0000 -187.26078 -178.96527 8.29551 2.87145 -177.67987 992.66923
2355.0000 -189.30326 -179.81425 9.48900 2.82062 -178.60786 957.33286
2360.0000 -186.28778 -177.11998 9.16780 2.84494 -178.16385 1002.46508
2365.0000 -186.44466 -177.57838 8.86628 2.91704 -176.84761 1003.44492
2370.0000 -186.17645 -176.55292 9.62354 2.89364 -177.27482 1008.81198
2375.0000 -189.27552 -180.37299 8.90253 2.80664 -178.86305 950.20197
2380.0000 -188.50725 -179.04920 9.45805 2.75591 -179.78924 913.19034
2385.0000 -188.49681 -179.31968 9.17713 2.82361 -178.55332 955.57491
2390.0000 -189.03664 -180.15105 8.88559 2.78759 -179.21078 940.02895
2395.0000 -187.71254 -179.65227 8.06027 2.74201 -180.04300 921.74649
2400.0000 -189.10235 -179.84347 9.25888 2.73843 -180.10827 923.04772
2405.0000 -188.08589 -179.37067 8.71522 2.74726 -179.94702 904.40163
2410.0000 -188.21205 -177.20278 11.00927 2.86090 -177.87246 971.30138
2415.0000 -189.43147 -179.54313 9.88834 2.77136 -179.50717 920.49525
2420.0000 -190.43561 -181.38644 9.04917 2.69572 -180.88800 916.46359
2425.0000 -189.49278 -179.00230 10.49048 2.73753 -180.12475 915.28298
2430.0000 -187.47854 -178.67381 8.80474 2.80620 -178.87107 981.98697
2435.0000 -188.77700 -178.50657 10.27043 2.79287 -179.11447 963.49112
2440.0000 -188.73998 -179.57937 9.16061 2.81719 -178.67042 973.54501
2445.0000 -189.29600 -179.95347 9.34253 2.76894 -179.55127 920.78927
2450.0000 -187.67383 -177.58547 10.08836 2.80367 -178.91726 960.38467
2455.0000 -188.05459 -177.52621 10.52838 2.81864 -178.64409 974.40672
2460.0000 -189.02212 -178.65787 10.36425 2.83410 -178.36178 980.16546
2465.0000 -188.14615 -178.69409 9.45206 2.88627 -177.40944 989.46935
2470.0000 -189.75952 -179.16186 10.59765 2.81249 -178.75631 966.99910
2475.0000 -189.20596 -179.49057 9.71539 2.76165 -179.68430 921.47537
2480.0000 -187.22295 -177.65222 9.57073 2.87104 -177.68741 1010.97290
2485.0000 -186.53634 -177.89269 8.64365 2.91569 -176.87223 1033.62413
2490.0000 -187.93915 -178.54643 9.39272 2.89054 -177.33142 988.32251
2495.0000 -188.69476 -179.94948 8.74528 2.75792 -179.75245 918.29851
2500.0000 -190.23049 -181.00859 9.22190 2.70996 -180.62808 885.18715
FREEZING PROCESS: loop number 11 T-loop= 922.00000000000000
main_MD> interactions number 11 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79123 -1.86664 -0.56572
force_rgl> df(natom) 0.73980 -0.81631 2.62964
2505.0000 -190.60914 -179.54768 11.06146 2.70582 -180.70361 898.23837
2510.0000 -191.01774 -182.43472 8.58301 2.73542 -180.16324 925.15060
2515.0000 -189.22976 -180.81412 8.41564 2.66205 -181.50262 851.59102
2520.0000 -190.59211 -181.34181 9.25030 2.71858 -180.47059 885.26408
2525.0000 -190.10212 -181.26750 8.83462 2.69217 -180.95270 883.54430
2530.0000 -189.80771 -180.05747 9.75024 2.68425 -181.09744 883.86018
2535.0000 -190.17252 -180.16105 10.01147 2.73625 -180.14815 907.80413
2540.0000 -189.90871 -181.13876 8.76994 2.67049 -181.34858 848.21724
2545.0000 -188.78428 -180.20334 8.58094 2.73606 -180.15151 879.35553
2550.0000 -189.02723 -179.94480 9.08243 2.72906 -180.27931 914.17387
2555.0000 -189.87505 -179.30214 10.57291 2.77607 -179.42116 943.64676
2560.0000 -186.21598 -177.40187 8.81412 2.86774 -177.74771 1006.05422
2565.0000 -187.54727 -177.47608 10.07119 2.86907 -177.72339 1015.12293
2570.0000 -189.18838 -178.72870 10.45968 2.83788 -178.29279 952.92844
2575.0000 -188.66460 -179.59489 9.06971 2.79636 -179.05083 925.47676
2580.0000 -189.04973 -180.71065 8.33908 2.73799 -180.11634 881.91472
2585.0000 -188.95137 -179.73466 9.21672 2.68926 -181.00590 853.68893
2590.0000 -188.12059 -178.58437 9.53622 2.79028 -179.16180 936.11638
2595.0000 -189.99885 -180.57599 9.42286 2.77040 -179.52466 933.30626
2600.0000 -188.73523 -179.92665 8.80857 2.74626 -179.96531 892.30136
2605.0000 -189.13636 -179.89032 9.24604 2.72816 -180.29585 876.32379
2610.0000 -188.23920 -179.93281 8.30639 2.77076 -179.51810 920.24357
2615.0000 -188.90039 -181.05380 7.84659 2.71603 -180.51723 885.03331
2620.0000 -190.21515 -180.64430 9.57085 2.68869 -181.01630 869.99001
2625.0000 -191.78698 -182.64451 9.14247 2.68290 -181.12205 853.25236
2630.0000 -189.17679 -181.71323 7.46356 2.69114 -180.97151 860.73334
2635.0000 -189.95166 -181.57014 8.38151 2.67391 -181.28617 867.55470
2640.0000 -189.53772 -181.17412 8.36360 2.68287 -181.12262 852.40332
2645.0000 -190.00031 -181.04875 8.95156 2.68737 -181.04048 885.90538
2650.0000 -190.24861 -182.46370 7.78491 2.62590 -182.16260 824.11573
2655.0000 -189.79519 -181.02463 8.77056 2.65576 -181.61746 856.27793
2660.0000 -188.14682 -179.73675 8.41007 2.72798 -180.29898 890.81550
2665.0000 -187.71177 -179.21657 8.49520 2.77459 -179.44815 928.77358
2670.0000 -189.28909 -181.15306 8.13603 2.76324 -179.65531 936.96411
2675.0000 -188.57388 -179.67696 8.89692 2.72801 -180.29858 912.89640
2680.0000 -188.93787 -179.23330 9.70457 2.74958 -179.90474 922.08771
2685.0000 -188.70598 -179.88112 8.82486 2.76851 -179.55924 946.70861
2690.0000 -187.89309 -176.98504 10.90805 2.80095 -178.96699 940.55787
2695.0000 -189.11138 -178.89348 10.21790 2.85526 -177.97552 988.88471
2700.0000 -188.72899 -179.13396 9.59503 2.72240 -180.40099 910.47524
2705.0000 -188.04989 -179.36998 8.67991 2.77179 -179.49921 917.49549
2710.0000 -188.74105 -178.49629 10.24476 2.82100 -178.60091 948.26127
2715.0000 -188.85654 -179.90133 8.95521 2.75599 -179.78768 902.10015
2720.0000 -187.29677 -177.87124 9.42554 2.79741 -179.03152 932.28953
2725.0000 -188.43866 -179.61569 8.82297 2.79164 -179.13682 936.19157
2730.0000 -186.85430 -177.33492 9.51938 2.80767 -178.84428 974.57986
2735.0000 -187.62065 -177.71391 9.90674 2.90263 -177.11074 1019.34284
2740.0000 -188.99998 -180.48124 8.51874 2.79444 -179.08586 945.95190
2745.0000 -191.26219 -180.94036 10.32184 2.75886 -179.73527 939.00407
2750.0000 -190.63595 -180.16354 10.47241 2.72270 -180.39548 892.82984
FREEZING PROCESS: loop number 12 T-loop= 897.00000000000000
main_MD> interactions number 12 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56452 -1.73991 0.17750
force_rgl> df(natom) -1.15697 -0.46065 -2.12244
2755.0000 -188.71315 -180.27951 8.43364 2.73636 -180.14613 908.58002
2760.0000 -189.97469 -181.38246 8.59224 2.68840 -181.02168 865.78701
2765.0000 -189.45923 -180.14289 9.31634 2.71322 -180.56846 883.30664
2770.0000 -189.01779 -180.38533 8.63247 2.75267 -179.84827 895.84347
2775.0000 -189.18820 -179.70478 9.48341 2.74061 -180.06854 872.51733
2780.0000 -190.06626 -180.43156 9.63470 2.72740 -180.30971 885.98995
2785.0000 -189.34014 -179.60195 9.73818 2.73794 -180.11724 909.79573
2790.0000 -191.19556 -181.96370 9.23186 2.69379 -180.92330 896.63049
2795.0000 -189.93693 -181.19484 8.74210 2.73206 -180.22460 909.45560
2800.0000 -188.07457 -179.30699 8.76758 2.73928 -180.09278 901.60644
2805.0000 -190.17996 -180.56316 9.61679 2.78880 -179.18871 947.02838
2810.0000 -188.02069 -178.51323 9.50745 2.71470 -180.54157 894.45372
2815.0000 -189.40547 -179.29212 10.11335 2.79232 -179.12441 956.56906
2820.0000 -189.06695 -179.50179 9.56516 2.74164 -180.04960 882.06806
2825.0000 -190.22819 -178.55365 11.67454 2.84257 -178.20715 951.41908
2830.0000 -188.53894 -179.54373 8.99521 2.80729 -178.85121 969.63103
2835.0000 -189.66069 -181.33487 8.32582 2.73347 -180.19886 894.27342
2840.0000 -188.27971 -178.31009 9.96962 2.75253 -179.85079 902.12491
2845.0000 -187.44563 -177.73672 9.70891 2.85259 -178.02425 971.81165
2850.0000 -189.00002 -179.26712 9.73290 2.82267 -178.57036 943.75736
2855.0000 -189.68103 -180.26470 9.41633 2.81818 -178.65234 974.02017
2860.0000 -189.81265 -180.99992 8.81274 2.72146 -180.41807 912.67462
2865.0000 -191.99331 -182.59637 9.39693 2.58054 -182.99075 815.47676
2870.0000 -189.67270 -181.26757 8.40514 2.69603 -180.88232 883.86079
2875.0000 -188.37335 -180.09195 8.28140 2.66861 -181.38297 864.00522
2880.0000 -190.20990 -180.78477 9.42513 2.74963 -179.90386 909.81383
2885.0000 -191.39235 -182.97768 8.41467 2.61968 -182.27610 809.28577
2890.0000 -191.15964 -181.39323 9.76640 2.64047 -181.89659 866.15868
2895.0000 -189.45957 -181.54404 7.91554 2.68409 -181.10025 869.02739
2900.0000 -188.44857 -179.94913 8.49945 2.67342 -181.29513 848.66410
2905.0000 -189.04705 -179.00570 10.04135 2.73321 -180.20355 876.19633
2910.0000 -188.48844 -178.63461 9.85384 2.84321 -178.19540 965.92514
2915.0000 -189.76241 -180.69843 9.06398 2.71792 -180.48273 878.22417
2920.0000 -188.95193 -179.99977 8.95216 2.73125 -180.23938 900.42037
2925.0000 -188.69254 -179.03434 9.65820 2.81260 -178.75419 952.80693
2930.0000 -188.53843 -178.83712 9.70131 2.79718 -179.03574 953.42420
2935.0000 -189.60726 -180.30781 9.29945 2.75671 -179.77465 941.03696
2940.0000 -189.67966 -181.77800 7.90166 2.74763 -179.94030 950.86765
2945.0000 -187.31982 -177.08429 10.23553 2.72400 -180.37162 889.16019
2950.0000 -188.63143 -179.31066 9.32077 2.81366 -178.73497 968.25248
2955.0000 -189.67741 -180.57358 9.10383 2.71191 -180.59238 893.41147
2960.0000 -191.10314 -182.62025 8.48289 2.65827 -181.57173 868.50709
2965.0000 -190.19572 -179.40312 10.79260 2.65642 -181.60534 857.69771
2970.0000 -189.53378 -179.26134 10.27244 2.74932 -179.90940 933.40344
2975.0000 -187.67652 -178.29403 9.38249 2.83046 -178.42814 967.97463
2980.0000 -190.89831 -181.67244 9.22587 2.71780 -180.48488 907.83818
2985.0000 -191.22162 -182.27670 8.94493 2.62815 -182.12145 830.53126
2990.0000 -190.19484 -181.70627 8.48857 2.65155 -181.69438 852.34881
2995.0000 -188.00363 -180.72328 7.28035 2.66323 -181.48117 861.09021
3000.0000 -189.89075 -179.88991 10.00085 2.65520 -181.62765 868.23126
FREEZING PROCESS: loop number 13 T-loop= 872.00000000000000
main_MD> interactions number 13 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50825 -2.95439 -2.47246
force_rgl> df(natom) -1.66471 2.29557 4.78225
3005.0000 -188.27853 -178.74006 9.53847 2.73365 -180.19560 908.91622
3010.0000 -190.45331 -181.40494 9.04836 2.71075 -180.61359 889.78602
3015.0000 -190.00554 -179.62970 10.37584 2.74599 -179.97025 895.25092
3020.0000 -190.16902 -181.41279 8.75623 2.75518 -179.80257 912.19542
3025.0000 -189.82894 -181.83416 7.99478 2.65042 -181.71497 827.78338
3030.0000 -191.29177 -182.12209 9.16968 2.63202 -182.05092 818.45002
3035.0000 -191.37679 -182.88447 8.49232 2.60491 -182.54575 824.55542
3040.0000 -191.22985 -182.81188 8.41797 2.62412 -182.19500 837.73570
3045.0000 -189.75658 -180.98818 8.76840 2.66207 -181.50226 844.17534
3050.0000 -189.79111 -179.97298 9.81813 2.68648 -181.05661 852.23925
3055.0000 -191.07682 -183.24792 7.82890 2.65508 -181.62998 834.25195
3060.0000 -189.64200 -181.23798 8.40402 2.62112 -182.24992 777.79538
3065.0000 -189.97703 -181.72090 8.25613 2.66824 -181.38961 867.81842
3070.0000 -189.70807 -180.68530 9.02277 2.68810 -181.02701 882.79774
3075.0000 -190.69994 -183.71466 6.98528 2.64839 -181.75211 841.29500
3080.0000 -190.98493 -183.12135 7.86358 2.56197 -183.32960 802.76554
3085.0000 -190.59954 -179.29130 11.30823 2.63492 -181.99784 854.03135
3090.0000 -189.20037 -180.69839 8.50198 2.74985 -179.89973 917.68953
3095.0000 -191.48915 -182.84973 8.63942 2.66932 -181.36999 863.86084
3100.0000 -192.06302 -183.16479 8.89823 2.57903 -183.01816 816.53958
3105.0000 -188.64998 -180.18778 8.46220 2.64459 -181.82144 823.44142
3110.0000 -188.65881 -179.27620 9.38260 2.78532 -179.25225 911.82887
3115.0000 -187.64368 -178.53468 9.10900 2.79387 -179.09622 925.74542
3120.0000 -188.66544 -179.77367 8.89177 2.81396 -178.72942 953.78828
3125.0000 -191.38085 -183.01005 8.37080 2.65841 -181.56917 847.09356
3130.0000 -189.65372 -180.71249 8.94123 2.64874 -181.74569 848.23527
3135.0000 -189.87054 -180.71874 9.15179 2.71230 -180.58529 903.51460
3140.0000 -190.85411 -183.53692 7.31719 2.62104 -182.25125 818.24598
3145.0000 -190.10120 -181.50207 8.59914 2.64800 -181.75913 850.37805
3150.0000 -190.70127 -182.44996 8.25131 2.64314 -181.84790 867.65012
3155.0000 -189.77996 -182.08970 7.69026 2.59666 -182.69637 806.33796
3160.0000 -190.63300 -182.34280 8.29020 2.61628 -182.33827 816.79651
3165.0000 -190.61034 -182.02382 8.58652 2.59061 -182.80690 807.74715
3170.0000 -190.61589 -182.01727 8.59862 2.67695 -181.23055 896.19347
3175.0000 -189.13956 -180.36949 8.77006 2.71979 -180.44863 898.93194
3180.0000 -189.06882 -180.43656 8.63226 2.69795 -180.84725 899.82555
3185.0000 -189.03049 -179.29912 9.73138 2.75421 -179.82027 907.27575
3190.0000 -191.06275 -182.37385 8.68890 2.69720 -180.86102 890.21407
3195.0000 -190.25468 -181.25915 8.99554 2.65728 -181.58972 865.08570
3200.0000 -189.87570 -180.70426 9.17144 2.74329 -180.01965 902.28430
3205.0000 -192.09401 -183.26271 8.83130 2.59779 -182.67576 811.02779
3210.0000 -191.26037 -183.02121 8.23916 2.56221 -183.32521 795.49834
3215.0000 -191.29119 -182.32834 8.96285 2.62471 -182.18433 841.66128
3220.0000 -189.29944 -180.70217 8.59727 2.67620 -181.24425 863.01918
3225.0000 -188.59116 -180.25627 8.33490 2.74392 -180.00804 910.40010
3230.0000 -189.09419 -179.10938 9.98480 2.74218 -180.03987 876.96719
3235.0000 -187.97080 -179.22790 8.74290 2.78757 -179.21115 927.69034
3240.0000 -189.69539 -181.19015 8.50524 2.74148 -180.05254 891.25723
3245.0000 -189.41928 -181.13180 8.28748 2.60906 -182.47008 821.70993
3250.0000 -189.50558 -181.05490 8.45069 2.66422 -181.46295 861.83551
FREEZING PROCESS: loop number 14 T-loop= 847.00000000000000
main_MD> interactions number 14 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37325 -0.13798 -1.91321
force_rgl> df(natom) 1.84664 1.92788 0.76595
3255.0000 -190.34453 -181.90898 8.43556 2.66058 -181.52940 845.88399
3260.0000 -190.40579 -182.24913 8.15666 2.65158 -181.69385 861.82590
3265.0000 -190.95989 -180.87185 10.08804 2.71495 -180.53690 912.82954
3270.0000 -189.79254 -180.35823 9.43431 2.67871 -181.19844 867.51703
3275.0000 -189.83346 -181.01164 8.82182 2.71859 -180.47043 898.14105
3280.0000 -190.53137 -182.17522 8.35615 2.65729 -181.58952 868.85036
3285.0000 -190.20038 -181.44260 8.75778 2.70322 -180.75101 887.24785
3290.0000 -190.50662 -182.31436 8.19226 2.65781 -181.58000 862.34814
3295.0000 -190.98220 -183.08388 7.89832 2.57918 -183.01553 803.39377
3300.0000 -190.03842 -182.15634 7.88208 2.59615 -182.70576 786.65186
3305.0000 -191.29967 -183.48041 7.81926 2.57906 -183.01762 797.74737
3310.0000 -188.49885 -180.01448 8.48437 2.68095 -181.15764 890.58883
3315.0000 -188.27316 -180.33974 7.93342 2.73055 -180.25220 905.44454
3320.0000 -190.07829 -182.30817 7.77012 2.70384 -180.73975 868.02286
3325.0000 -191.41813 -182.91796 8.50017 2.62915 -182.10318 819.47278
3330.0000 -189.88420 -182.08837 7.79583 2.61454 -182.36991 817.78425
3335.0000 -190.19264 -182.30052 7.89212 2.65817 -181.57346 855.25557
3340.0000 -190.66871 -182.11665 8.55206 2.65803 -181.57606 837.56173
3345.0000 -190.79781 -182.29429 8.50352 2.57361 -183.11719 793.11607
3350.0000 -190.71649 -182.27766 8.43883 2.63801 -181.94145 840.84035
3355.0000 -189.07064 -179.72835 9.34229 2.68112 -181.15455 884.59107
3360.0000 -190.06319 -182.41191 7.65128 2.65519 -181.62792 857.77919
3365.0000 -191.25429 -183.39709 7.85720 2.61027 -182.44789 836.08839
3370.0000 -191.39423 -183.79897 7.59526 2.55007 -183.54683 781.93852
3375.0000 -191.77716 -184.16079 7.61637 2.51364 -184.21195 767.45213
3380.0000 -189.94452 -182.00738 7.93714 2.59043 -182.81013 819.79281
3385.0000 -190.81806 -181.91310 8.90496 2.61640 -182.33603 829.19638
3390.0000 -191.13411 -183.36659 7.76752 2.57014 -183.18054 790.10234
3395.0000 -191.56994 -184.09075 7.47919 2.53372 -183.84540 757.09244
3400.0000 -191.71415 -184.23398 7.48017 2.51106 -184.25898 771.80144
3405.0000 -191.27190 -183.29433 7.97757 2.53974 -183.73555 796.62347
3410.0000 -190.58019 -181.28678 9.29340 2.62343 -182.20762 844.61896
3415.0000 -189.60331 -180.42634 9.17697 2.72842 -180.29104 884.00903
3420.0000 -188.99180 -180.62949 8.36231 2.72770 -180.30409 937.04180
3425.0000 -189.29593 -180.49960 8.79634 2.75906 -179.73159 926.77226
3430.0000 -190.66654 -180.65359 10.01295 2.67967 -181.18100 880.91281
3435.0000 -188.38438 -180.88326 7.50112 2.70166 -180.77957 887.22847
3440.0000 -191.29804 -182.60097 8.69708 2.63813 -181.93930 839.32172
3445.0000 -189.24842 -181.35879 7.88963 2.57414 -183.10748 810.79687
3450.0000 -189.22450 -180.17464 9.04986 2.71523 -180.53186 886.47038
3455.0000 -189.70748 -180.71329 8.99420 2.70344 -180.74708 891.34465
3460.0000 -191.02693 -183.86002 7.16691 2.59255 -182.77141 826.23931
3465.0000 -189.74486 -181.17102 8.57385 2.60989 -182.45486 839.38498
3470.0000 -188.91961 -181.03657 7.88304 2.70587 -180.70261 899.48969
3475.0000 -192.87716 -183.16712 9.71004 2.59293 -182.76449 807.27681
3480.0000 -189.80418 -182.07843 7.72575 2.60492 -182.54555 825.33912
3485.0000 -190.84103 -181.00734 9.83370 2.68118 -181.15338 861.47183
3490.0000 -189.60874 -180.48932 9.11942 2.70847 -180.65513 861.46970
3495.0000 -190.13340 -180.93036 9.20303 2.68123 -181.15249 864.91869
3500.0000 -190.08066 -181.93688 8.14378 2.64024 -181.90076 851.31841
FREEZING PROCESS: loop number 15 T-loop= 822.00000000000000
main_MD> interactions number 15 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38025 1.73958 -2.38864
force_rgl> df(natom) 0.24524 1.63824 -1.58529
3505.0000 -189.01768 -180.48001 8.53768 2.65575 -181.61772 867.63177
3510.0000 -189.27924 -179.62477 9.65446 2.73993 -180.08088 914.81839
3515.0000 -190.23865 -180.84368 9.39496 2.72628 -180.33009 876.37603
3520.0000 -191.34343 -181.63784 9.70558 2.67807 -181.21024 857.47715
3525.0000 -190.02619 -181.47641 8.54979 2.65415 -181.64691 852.60560
3530.0000 -190.66567 -181.81298 8.85268 2.68034 -181.16866 840.47768
3535.0000 -190.55240 -181.79908 8.75332 2.66361 -181.47417 843.16252
3540.0000 -188.89576 -180.66154 8.23423 2.71069 -180.61462 859.99215
3545.0000 -191.13228 -182.36104 8.77124 2.65022 -181.71860 835.16571
3550.0000 -191.79709 -183.59503 8.20206 2.53386 -183.84286 777.50289
3555.0000 -192.06742 -184.53582 7.53159 2.51249 -184.23290 773.82822
3560.0000 -190.32257 -181.36695 8.95562 2.56638 -183.24912 799.01967
3565.0000 -191.07250 -181.66162 9.41088 2.69435 -180.91292 874.29480
3570.0000 -190.43510 -181.95180 8.48330 2.62439 -182.19024 833.30535
3575.0000 -190.81675 -182.81458 8.00217 2.54371 -183.66306 785.68759
3580.0000 -190.22322 -181.12781 9.09540 2.68942 -181.00296 883.58291
3585.0000 -190.29734 -181.38737 8.90997 2.65994 -181.54119 879.13330
3590.0000 -189.81120 -181.60119 8.21002 2.68517 -181.08065 873.06495
3595.0000 -189.91618 -180.89259 9.02359 2.64684 -181.78035 832.79766
3600.0000 -190.68658 -182.83464 7.85194 2.65487 -181.63367 845.61073
3605.0000 -190.73410 -182.26249 8.47161 2.61373 -182.38484 813.35442
3610.0000 -190.65355 -181.95959 8.69395 2.58357 -182.93538 796.90385
3615.0000 -190.87005 -182.37770 8.49235 2.65040 -181.71541 852.04649
3620.0000 -190.97541 -182.89887 8.07654 2.62812 -182.12205 844.40110
3625.0000 -189.72351 -181.54102 8.18250 2.66305 -181.48445 850.81809
3630.0000 -189.66741 -179.66083 10.00658 2.71659 -180.50692 885.55607
3635.0000 -190.59294 -182.42788 8.16506 2.64317 -181.84723 845.79890
3640.0000 -190.92001 -181.51129 9.40872 2.64949 -181.73200 838.97247
3645.0000 -189.60254 -180.45848 9.14407 2.68717 -181.04405 859.68042
3650.0000 -191.16889 -182.08290 9.08599 2.70236 -180.76671 911.70087
3655.0000 -191.65165 -183.89631 7.75534 2.60013 -182.63303 819.91438
3660.0000 -189.14913 -182.88568 6.26345 2.55913 -183.38143 812.43062
3665.0000 -190.74285 -182.45516 8.28769 2.61065 -182.44097 809.25482
3670.0000 -189.73471 -181.43344 8.30127 2.60632 -182.52005 807.10999
3675.0000 -190.21279 -181.74791 8.46488 2.64439 -181.82495 842.86482
3680.0000 -189.80662 -182.01136 7.79526 2.64212 -181.86649 835.08680
3685.0000 -190.70730 -183.02836 7.67894 2.60574 -182.53071 834.47636
3690.0000 -191.83156 -183.69367 8.13788 2.59426 -182.74016 815.69380
3695.0000 -191.20350 -184.41671 6.78679 2.53074 -183.89982 757.71627
3700.0000 -190.98683 -183.02184 7.96499 2.57206 -183.14543 811.72812
3705.0000 -191.88533 -183.54518 8.34014 2.60020 -182.63184 831.25701
3710.0000 -189.93855 -182.31121 7.62734 2.61989 -182.27239 827.75694
3715.0000 -189.01494 -181.24907 7.76587 2.68926 -181.00583 879.13618
3720.0000 -190.60175 -182.41560 8.18615 2.62681 -182.14591 840.14005
3725.0000 -189.72356 -179.94594 9.77762 2.72638 -180.32835 917.88559
3730.0000 -189.68751 -180.74829 8.93921 2.71577 -180.52197 896.57140
3735.0000 -191.42723 -183.24510 8.18213 2.63820 -181.93809 820.24060
3740.0000 -190.99615 -182.48570 8.51045 2.55043 -183.54033 785.95078
3745.0000 -191.11469 -182.68456 8.43013 2.62123 -182.24788 824.64960
3750.0000 -189.67127 -180.66450 9.00677 2.63171 -182.05643 842.79338
FREEZING PROCESS: loop number 16 T-loop= 797.00000000000000
main_MD> interactions number 16 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12205 -1.82551 -0.83541
force_rgl> df(natom) 2.41954 -0.05107 4.49381
3755.0000 -190.44539 -182.12034 8.32506 2.65322 -181.66385 837.68437
3760.0000 -190.90691 -183.02135 7.88556 2.62904 -182.10529 847.56334
3765.0000 -190.64592 -182.25399 8.39193 2.59463 -182.73337 839.91024
3770.0000 -191.29156 -182.26498 9.02658 2.60592 -182.52727 837.49932
3775.0000 -190.07174 -183.02483 7.04691 2.61929 -182.28333 857.16271
3780.0000 -190.69180 -182.79752 7.89428 2.56585 -183.25889 797.47691
3785.0000 -190.50447 -183.07501 7.42946 2.57570 -183.07900 804.53898
3790.0000 -192.90512 -185.43532 7.46980 2.54162 -183.70122 765.86435
3795.0000 -191.02707 -183.68010 7.34697 2.49130 -184.61974 744.94310
3800.0000 -189.92251 -183.09580 6.82671 2.50959 -184.28596 782.38132
3805.0000 -191.48176 -183.22888 8.25289 2.54611 -183.61924 785.65020
3810.0000 -193.79705 -184.48562 9.31142 2.57064 -183.17141 821.00250
3815.0000 -193.78761 -185.70437 8.08324 2.49182 -184.61039 766.83817
3820.0000 -191.87887 -184.53597 7.34289 2.48347 -184.76264 740.36662
3825.0000 -192.01766 -183.43030 8.58736 2.48906 -184.66067 742.93193
3830.0000 -190.69677 -182.87916 7.81761 2.53789 -183.76921 776.65605
3835.0000 -192.30236 -184.31054 7.99183 2.52181 -184.06283 764.23179
3840.0000 -191.99405 -183.93609 8.05796 2.51749 -184.14172 782.46523
3845.0000 -191.76981 -183.82536 7.94445 2.52373 -184.02779 745.31439
3850.0000 -191.29483 -182.30992 8.98491 2.56704 -183.23715 794.49491
3855.0000 -191.24764 -183.39953 7.84811 2.55738 -183.41349 793.70338
3860.0000 -190.62327 -183.56504 7.05823 2.58727 -182.86777 816.73538
3865.0000 -192.31337 -183.14820 9.16517 2.53463 -183.82876 781.06738
3870.0000 -191.29794 -182.15637 9.14157 2.59045 -182.80982 816.98043
3875.0000 -191.11773 -183.75655 7.36118 2.56920 -183.19771 777.34737
3880.0000 -190.85542 -182.86323 7.99218 2.56428 -183.28757 781.20948
3885.0000 -190.24569 -182.12652 8.11917 2.60213 -182.59649 825.41748
3890.0000 -190.57797 -182.00873 8.56923 2.63193 -182.05257 825.76157
3895.0000 -191.24173 -182.74791 8.49383 2.54710 -183.60106 800.25001
3900.0000 -191.86836 -183.94207 7.92629 2.58562 -182.89787 813.64215
3905.0000 -191.09865 -184.12572 6.97293 2.54280 -183.67960 795.69072
3910.0000 -190.58153 -184.46222 6.11931 2.50764 -184.32146 748.19852
3915.0000 -190.92129 -184.42245 6.49885 2.52284 -184.04403 768.67268
3920.0000 -191.28214 -182.11428 9.16786 2.60041 -182.62796 818.35165
3925.0000 -191.27213 -183.39655 7.87558 2.61218 -182.41306 836.78676
3930.0000 -191.75297 -183.83531 7.91766 2.55875 -183.38838 773.66391
3935.0000 -192.04353 -183.42649 8.61704 2.55942 -183.37622 796.77841
3940.0000 -193.11374 -184.53844 8.57530 2.55097 -183.53053 782.28280
3945.0000 -192.36203 -185.13472 7.22731 2.48744 -184.69025 725.32274
3950.0000 -192.34893 -185.66533 6.68360 2.50654 -184.34159 746.61435
3955.0000 -190.84760 -184.06567 6.78193 2.47462 -184.92423 744.79890
3960.0000 -191.77943 -184.07196 7.70747 2.49190 -184.60884 734.31994
3965.0000 -190.98356 -182.48488 8.49868 2.58751 -182.86348 797.44679
3970.0000 -190.58197 -182.52691 8.05506 2.60894 -182.47221 789.49213
3975.0000 -191.32005 -182.93806 8.38199 2.61156 -182.42445 820.06139
3980.0000 -189.79114 -181.32036 8.47078 2.60034 -182.62929 837.58801
3985.0000 -190.50845 -181.70468 8.80377 2.68667 -181.05316 872.72293
3990.0000 -192.25216 -183.85226 8.39990 2.56816 -183.21663 798.89618
3995.0000 -194.63317 -185.31271 9.32046 2.48542 -184.72718 772.72778
4000.0000 -192.60672 -184.78199 7.82473 2.45458 -185.29013 728.29010
FREEZING PROCESS: loop number 17 T-loop= 772.00000000000000
main_MD> interactions number 17 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01047 6.76295 1.38297
force_rgl> df(natom) -1.06994 0.19214 0.63443
4005.0000 -192.33109 -183.09384 9.23725 2.53742 -183.77780 789.91876
4010.0000 -191.12758 -183.31507 7.81251 2.56924 -183.19695 774.78136
4015.0000 -191.32882 -184.62050 6.70832 2.50955 -184.28662 749.10863
4020.0000 -190.85686 -182.10143 8.75543 2.53144 -183.88698 750.73744
4025.0000 -192.13413 -183.60455 8.52958 2.56353 -183.30112 780.94915
4030.0000 -190.82029 -183.75223 7.06806 2.56172 -183.33418 805.67004
4035.0000 -191.10417 -183.43607 7.66810 2.57113 -183.16242 800.93073
4040.0000 -191.51901 -182.72716 8.79185 2.55245 -183.50342 811.72697
4045.0000 -191.13264 -183.58251 7.55013 2.59222 -182.77747 827.40126
4050.0000 -191.93202 -183.72328 8.20874 2.56955 -183.19137 808.42984
4055.0000 -191.67194 -183.77510 7.89684 2.53142 -183.88730 782.52879
4060.0000 -191.14060 -183.78488 7.35572 2.56905 -183.20038 794.15780
4065.0000 -194.36340 -186.63149 7.73191 2.44667 -185.43455 724.02655
4070.0000 -192.69390 -185.20632 7.48758 2.43137 -185.71391 720.08510
4075.0000 -192.83011 -185.37438 7.45573 2.45192 -185.33868 714.12974
4080.0000 -191.68426 -184.41883 7.26543 2.48489 -184.73681 742.96192
4085.0000 -192.71858 -185.69988 7.01870 2.48360 -184.76042 716.91275
4090.0000 -194.05593 -185.58255 8.47337 2.47838 -184.85564 748.97505
4095.0000 -190.86941 -184.28621 6.58320 2.51076 -184.26461 761.49448
4100.0000 -192.06267 -184.36142 7.70125 2.52961 -183.92042 777.88654
4105.0000 -191.72828 -184.49787 7.23042 2.46500 -185.09987 734.44817
4110.0000 -192.05895 -185.23708 6.82187 2.47468 -184.92328 723.99363
4115.0000 -192.82737 -184.28335 8.54401 2.48132 -184.80205 728.39891
4120.0000 -189.91663 -182.49383 7.42280 2.51005 -184.27755 749.13345
4125.0000 -191.15023 -183.49569 7.65455 2.57363 -183.11674 801.97578
4130.0000 -192.60066 -182.68934 9.91132 2.56681 -183.24140 803.07914
4135.0000 -190.53730 -183.42897 7.10833 2.58289 -182.94770 797.15242
4140.0000 -189.73275 -181.69383 8.03892 2.55405 -183.47417 758.29099
4145.0000 -191.31019 -183.69011 7.62009 2.60258 -182.58822 811.03869
4150.0000 -190.85421 -182.82457 8.02964 2.58530 -182.90385 826.82200
4155.0000 -192.33854 -184.53296 7.80558 2.52932 -183.92571 769.27829
4160.0000 -192.16152 -185.54943 6.61209 2.45890 -185.21121 727.45557
4165.0000 -192.40143 -185.75711 6.64431 2.43402 -185.66552 699.88937
4170.0000 -192.85083 -185.08162 7.76920 2.49302 -184.58848 740.14293
4175.0000 -191.96145 -184.82938 7.13208 2.50517 -184.36660 771.65223
4180.0000 -191.39338 -183.36408 8.02929 2.55119 -183.52653 791.22894
4185.0000 -191.50853 -182.55366 8.95486 2.58832 -182.84868 815.68939
4190.0000 -191.14743 -183.96097 7.18646 2.60688 -182.50987 818.38311
4195.0000 -189.97500 -182.27336 7.70164 2.57690 -183.05714 789.34900
4200.0000 -192.59289 -183.70961 8.88328 2.57016 -183.18020 804.22605
4205.0000 -192.51247 -183.64018 8.87229 2.48583 -184.71964 747.87385
4210.0000 -191.41637 -184.19570 7.22067 2.51653 -184.15921 760.94937
4215.0000 -190.82800 -182.87962 7.94838 2.53535 -183.81556 764.56973
4220.0000 -190.40574 -182.80340 7.60234 2.62742 -182.13491 806.62469
4225.0000 -191.72205 -183.83693 7.88512 2.51594 -184.17001 730.98886
4230.0000 -191.67958 -184.94695 6.73263 2.53604 -183.80302 771.61574
4235.0000 -193.26844 -186.36944 6.89900 2.41660 -185.98348 677.61474
4240.0000 -191.73777 -183.32003 8.41774 2.46849 -185.03617 739.79706
4245.0000 -192.76140 -184.21744 8.54395 2.57485 -183.09453 798.63901
4250.0000 -191.66575 -184.90778 6.75797 2.46590 -185.08341 739.59512
FREEZING PROCESS: loop number 18 T-loop= 747.00000000000000
main_MD> interactions number 18 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.12581 -1.58099 -0.14016
force_rgl> df(natom) 2.50255 -8.05842 2.38093
4255.0000 -192.72323 -184.72564 7.99758 2.51413 -184.20308 768.18891
4260.0000 -192.80564 -185.93317 6.87248 2.45193 -185.33857 712.93856
4265.0000 -192.97419 -186.03088 6.94330 2.43555 -185.63752 700.31149
4270.0000 -192.96029 -184.82511 8.13517 2.43533 -185.64149 698.94191
4275.0000 -192.54336 -185.07614 7.46722 2.46665 -185.06972 765.98515
4280.0000 -192.39627 -185.61393 6.78233 2.42397 -185.84899 718.87393
4285.0000 -192.51864 -184.12668 8.39196 2.47887 -184.84677 734.51379
4290.0000 -191.64018 -183.93448 7.70570 2.49400 -184.57048 768.03776
4295.0000 -191.59041 -182.35657 9.23384 2.57440 -183.10284 809.95355
4300.0000 -191.52705 -183.98745 7.53960 2.57634 -183.06733 788.59352
4305.0000 -192.70807 -184.91213 7.79594 2.54506 -183.63831 779.32196
4310.0000 -191.87708 -185.57966 6.29741 2.45711 -185.24394 715.30932
4315.0000 -193.37114 -185.86062 7.51053 2.42212 -185.88263 697.25178
4320.0000 -192.15531 -184.78679 7.36852 2.44122 -185.53404 715.87491
4325.0000 -191.95779 -185.38879 6.56900 2.47946 -184.83586 741.11678
4330.0000 -192.49162 -185.73294 6.75868 2.43157 -185.71014 701.11640
4335.0000 -191.79152 -184.38377 7.40775 2.45514 -185.27993 691.14897
4340.0000 -191.56301 -183.59857 7.96444 2.55148 -183.52117 795.97216
4345.0000 -191.37096 -184.12687 7.24409 2.48590 -184.71842 745.77771
4350.0000 -191.49502 -183.82713 7.66789 2.55064 -183.53654 785.79976
4355.0000 -192.19221 -183.94157 8.25064 2.52164 -184.06597 775.83080
4360.0000 -191.23143 -183.58921 7.64222 2.56996 -183.18377 811.17283
4365.0000 -190.89772 -183.48284 7.41488 2.63956 -181.91328 842.12564
4370.0000 -192.76988 -184.73731 8.03257 2.52596 -183.98701 774.13003
4375.0000 -191.84711 -182.70087 9.14624 2.51474 -184.19186 761.64037
4380.0000 -192.64453 -184.01382 8.63070 2.50861 -184.30385 765.16564
4385.0000 -191.51860 -183.62881 7.88979 2.51491 -184.18876 747.25053
4390.0000 -193.43397 -185.58928 7.84469 2.50356 -184.39595 761.65282
4395.0000 -192.60874 -185.05571 7.55303 2.42605 -185.81093 697.45069
4400.0000 -191.93062 -184.63608 7.29454 2.48786 -184.68260 729.20445
4405.0000 -192.17111 -185.33625 6.83485 2.45661 -185.25300 725.33010
4410.0000 -192.41404 -183.98255 8.43150 2.48013 -184.82369 735.84893
4415.0000 -190.66476 -182.42927 8.23549 2.58002 -183.00007 794.76508
4420.0000 -191.18199 -183.65825 7.52374 2.58986 -182.82047 786.74158
4425.0000 -193.28582 -185.30556 7.98026 2.48770 -184.68557 717.57404
4430.0000 -191.65285 -182.95780 8.69505 2.53506 -183.82100 783.97482
4435.0000 -191.49703 -183.89343 7.60360 2.54648 -183.61239 790.87259
4440.0000 -192.84010 -184.68685 8.15325 2.51950 -184.10500 763.42957
4445.0000 -193.02607 -184.98005 8.04602 2.46135 -185.16654 741.74046
4450.0000 -193.57006 -185.53156 8.03850 2.43273 -185.68911 709.84399
4455.0000 -192.42969 -185.80052 6.62917 2.41884 -185.94261 693.08582
4460.0000 -192.46141 -185.67802 6.78339 2.42213 -185.88254 706.00845
4465.0000 -191.08135 -183.08429 7.99706 2.52442 -184.01512 763.73114
4470.0000 -192.22472 -185.07861 7.14611 2.49468 -184.55806 735.68083
4475.0000 -192.32049 -185.49005 6.83045 2.46231 -185.14894 718.46892
4480.0000 -194.04267 -187.04656 6.99611 2.42652 -185.80234 726.22160
4485.0000 -193.65658 -186.48176 7.17482 2.40681 -186.16212 700.64915
4490.0000 -192.24809 -185.29102 6.95707 2.44354 -185.49160 715.73502
4495.0000 -192.53036 -184.88862 7.64174 2.48079 -184.81169 744.16184
4500.0000 -192.99299 -185.99908 6.99390 2.49018 -184.64017 757.67353
FREEZING PROCESS: loop number 19 T-loop= 722.00000000000000
main_MD> interactions number 19 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.49616 -1.83896 -0.78090
force_rgl> df(natom) -2.20646 -0.46177 -0.59779
4505.0000 -193.25568 -186.04091 7.21477 2.39337 -186.40755 695.36286
4510.0000 -192.17875 -185.19349 6.98526 2.46633 -185.07558 738.78191
4515.0000 -193.45001 -185.80846 7.64155 2.44991 -185.37544 707.56489
4520.0000 -193.82916 -186.80119 7.02797 2.39295 -186.41528 683.76185
4525.0000 -193.99201 -186.19290 7.79911 2.37008 -186.83273 690.03609
4530.0000 -194.36755 -187.54618 6.82137 2.39762 -186.33005 669.14582
4535.0000 -194.99471 -188.72703 6.26768 2.30975 -187.93406 618.15509
4540.0000 -193.80664 -188.04891 5.75773 2.31496 -187.83894 647.92544
4545.0000 -194.95583 -187.67165 7.28418 2.34637 -187.26559 688.01431
4550.0000 -193.41419 -185.76643 7.64777 2.36286 -186.96453 671.14093
4555.0000 -192.69221 -185.86945 6.82276 2.40784 -186.14337 697.55803
4560.0000 -192.89225 -185.62761 7.26464 2.45893 -185.21071 724.60854
4565.0000 -193.60571 -186.00184 7.60387 2.39778 -186.32714 694.64932
4570.0000 -193.71024 -186.94052 6.76972 2.40002 -186.28614 699.45406
4575.0000 -192.93175 -186.47196 6.45979 2.36313 -186.95959 659.25503
4580.0000 -193.04810 -186.47843 6.56967 2.41638 -185.98752 709.71820
4585.0000 -193.19190 -186.29739 6.89451 2.38172 -186.62026 677.13046
4590.0000 -192.41551 -185.96381 6.45170 2.41445 -186.02281 706.79715
4595.0000 -193.55408 -186.42936 7.12473 2.41513 -186.01035 723.76571
4600.0000 -194.15507 -186.71231 7.44276 2.39297 -186.41494 701.12010
4605.0000 -193.30500 -186.75956 6.54544 2.38146 -186.62502 696.50951
4610.0000 -192.65180 -185.44455 7.20725 2.42129 -185.89792 700.42233
4615.0000 -190.38899 -184.37142 6.01757 2.48370 -184.75854 743.97564
4620.0000 -193.03837 -184.72031 8.31806 2.47511 -184.91533 731.19984
4625.0000 -193.10556 -185.81757 7.28799 2.44221 -185.51590 738.10587
4630.0000 -194.00566 -185.94687 8.05879 2.42221 -185.88112 716.02199
4635.0000 -193.03766 -186.44605 6.59161 2.41240 -186.06019 714.53535
4640.0000 -193.66801 -186.09275 7.57526 2.38813 -186.50320 681.76750
4645.0000 -192.52026 -185.36118 7.15908 2.43571 -185.63466 718.32160
4650.0000 -191.17636 -183.93414 7.24222 2.48028 -184.82089 728.39103
4655.0000 -191.06159 -183.85499 7.20660 2.51459 -184.19465 767.07601
4660.0000 -192.66141 -185.54985 7.11156 2.51142 -184.25253 781.61501
4665.0000 -193.62406 -185.63653 7.98753 2.45009 -185.37211 713.66114
4670.0000 -193.38790 -186.67531 6.71259 2.42287 -185.86904 706.68969
4675.0000 -193.42777 -185.91006 7.51771 2.39220 -186.42899 674.19365
4680.0000 -193.51100 -186.24582 7.26518 2.40939 -186.11512 705.11386
4685.0000 -194.15126 -187.45173 6.69953 2.39522 -186.37376 704.02334
4690.0000 -193.90315 -186.78729 7.11586 2.36946 -186.84415 678.25257
4695.0000 -192.24973 -184.53292 7.71682 2.43002 -185.73847 704.12121
4700.0000 -191.28780 -184.23882 7.04897 2.47608 -184.89771 713.70672
4705.0000 -192.51338 -185.15948 7.35390 2.46986 -185.01121 732.57081
4710.0000 -193.19608 -185.08128 8.11481 2.46149 -185.16397 736.07533
4715.0000 -193.59188 -186.61277 6.97911 2.39636 -186.35304 709.71595
4720.0000 -194.23510 -186.96768 7.26741 2.38140 -186.62616 689.66336
4725.0000 -191.94956 -185.56440 6.38515 2.41068 -186.09154 712.91283
4730.0000 -192.40456 -184.58736 7.81720 2.47245 -184.96395 724.16831
4735.0000 -192.56851 -185.36246 7.20605 2.46058 -185.18066 741.81358
4740.0000 -192.45181 -184.28353 8.16828 2.48256 -184.77938 749.59367
4745.0000 -192.32718 -186.22954 6.09764 2.44516 -185.46209 706.83967
4750.0000 -192.78229 -184.85235 7.92994 2.43600 -185.62928 690.79383
FREEZING PROCESS: loop number 20 T-loop= 697.00000000000000
main_MD> interactions number 20 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12268 -0.70049 -3.04745
force_rgl> df(natom) -3.12332 -0.96459 2.18968
4755.0000 -192.35896 -185.03136 7.32760 2.47511 -184.91532 742.42658
4760.0000 -193.79842 -186.61390 7.18452 2.41951 -185.93036 696.61773
4765.0000 -193.21517 -185.66690 7.54827 2.41152 -186.07624 706.18706
4770.0000 -193.32470 -186.64629 6.67840 2.38797 -186.50610 675.45904
4775.0000 -194.04910 -187.46172 6.58738 2.36007 -187.01548 657.21439
4780.0000 -193.53669 -186.85813 6.67856 2.37642 -186.71707 691.15320
4785.0000 -191.59006 -185.25707 6.33299 2.43797 -185.59335 731.70867
4790.0000 -193.20952 -185.03761 8.17191 2.42607 -185.81059 724.17365
4795.0000 -193.36091 -187.37600 5.98491 2.43645 -185.62104 727.90655
4800.0000 -193.10470 -185.97294 7.13176 2.34762 -187.24279 672.49003
4805.0000 -193.74783 -187.74771 6.00012 2.41301 -186.04907 677.41272
4810.0000 -194.95671 -186.36681 8.58989 2.33024 -187.56007 650.56549
4815.0000 -194.47973 -187.85281 6.62692 2.32522 -187.65171 656.64754
4820.0000 -192.81518 -186.61938 6.19580 2.31457 -187.84606 650.15536
4825.0000 -193.97886 -186.40161 7.57725 2.36939 -186.84540 679.31379
4830.0000 -192.77257 -186.19899 6.57358 2.37816 -186.68524 663.82868
4835.0000 -194.84868 -188.03457 6.81411 2.36476 -186.92991 654.73316
4840.0000 -194.17823 -186.97469 7.20354 2.32722 -187.61525 637.99578
4845.0000 -192.97314 -185.89700 7.07614 2.35914 -187.03248 670.08523
4850.0000 -194.47508 -186.91252 7.56256 2.38763 -186.51232 695.57377
4855.0000 -192.38777 -184.78894 7.59883 2.42256 -185.87475 717.68417
4860.0000 -192.30784 -184.13218 8.17565 2.47734 -184.87461 741.94318
4865.0000 -192.66656 -185.94529 6.72127 2.41281 -186.05269 703.40128
4870.0000 -193.45279 -186.21134 7.24144 2.41607 -185.99324 711.93925
4875.0000 -192.28647 -185.30206 6.98441 2.42108 -185.90169 704.36944
4880.0000 -193.42242 -187.11931 6.30312 2.41154 -186.07583 719.13525
4885.0000 -192.61923 -184.13192 8.48731 2.44167 -185.52578 707.97916
4890.0000 -193.58261 -186.22841 7.35419 2.45344 -185.31088 737.13134
4895.0000 -192.73717 -185.67745 7.05972 2.43163 -185.70906 732.02053
4900.0000 -193.13197 -186.00268 7.12928 2.42211 -185.88295 695.02742
4905.0000 -193.06912 -186.63869 6.43043 2.41266 -186.05540 701.21477
4910.0000 -193.14806 -186.66081 6.48725 2.39726 -186.33663 691.07693
4915.0000 -194.24403 -187.48980 6.75423 2.37612 -186.72255 665.79019
4920.0000 -193.13961 -186.29008 6.84954 2.40253 -186.24039 704.55777
4925.0000 -192.72264 -186.22822 6.49442 2.41865 -185.94600 697.60244
4930.0000 -193.78644 -187.09981 6.68663 2.36191 -186.98182 683.25957
4935.0000 -193.72742 -187.31742 6.41000 2.36220 -186.97662 664.02883
4940.0000 -193.42905 -186.76260 6.66644 2.33795 -187.41930 649.70187
4945.0000 -193.28127 -187.04738 6.23389 2.35537 -187.10134 642.53207
4950.0000 -194.02916 -187.16496 6.86419 2.37017 -186.83113 670.77616
4955.0000 -194.01375 -187.12021 6.89354 2.38383 -186.58172 691.82255
4960.0000 -192.93301 -187.29967 5.63334 2.35914 -187.03251 679.14279
4965.0000 -193.64076 -186.98582 6.65494 2.34033 -187.37590 669.98097
4970.0000 -192.84575 -185.86787 6.97788 2.37436 -186.75455 671.80092
4975.0000 -193.38744 -185.62528 7.76217 2.41596 -185.99509 688.35705
4980.0000 -193.82344 -187.41412 6.40932 2.42028 -185.91624 715.94293
4985.0000 -194.16604 -187.23178 6.93425 2.32574 -187.64220 654.26592
4990.0000 -193.03342 -186.49110 6.54232 2.35516 -187.10512 664.12585
4995.0000 -193.91648 -187.47694 6.43955 2.35935 -187.02869 660.28793
5000.0000 -192.65173 -185.96100 6.69074 2.36570 -186.91273 672.80238
FREEZING PROCESS: loop number 21 T-loop= 672.00000000000000
main_MD> interactions number 21 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50531 -1.03611 1.82403
force_rgl> df(natom) -1.06804 -1.58321 1.32684
5005.0000 -193.28507 -186.55146 6.73361 2.34076 -187.36804 667.60269
5010.0000 -193.69922 -186.93142 6.76780 2.35194 -187.16387 657.01242
5015.0000 -194.22882 -187.63092 6.59789 2.33230 -187.52247 649.17247
5020.0000 -194.17787 -187.59655 6.58132 2.34496 -187.29133 661.64950
5025.0000 -192.91328 -186.74319 6.17008 2.36666 -186.89524 693.23753
5030.0000 -194.95655 -188.90019 6.05635 2.33509 -187.47149 675.85931
5035.0000 -194.30981 -188.26354 6.04627 2.28320 -188.41873 621.09808
5040.0000 -193.99999 -187.61475 6.38524 2.29193 -188.25942 641.95075
5045.0000 -195.02915 -189.18904 5.84011 2.30799 -187.96620 653.83645
5050.0000 -194.44837 -188.51388 5.93450 2.27909 -188.49379 606.13577
5055.0000 -193.92918 -187.20154 6.72763 2.33873 -187.40499 660.12779
5060.0000 -192.77961 -187.34565 5.43395 2.33934 -187.39394 626.61685
5065.0000 -192.69390 -185.27766 7.41625 2.39168 -186.43839 681.24762
5070.0000 -193.85505 -187.37846 6.47659 2.41199 -186.06761 702.97481
5075.0000 -192.47106 -185.86944 6.60162 2.38475 -186.56501 698.05718
5080.0000 -193.65261 -186.98488 6.66773 2.38104 -186.63269 695.76435
5085.0000 -193.33783 -186.38139 6.95644 2.38051 -186.64226 700.31146
5090.0000 -193.36449 -185.69241 7.67208 2.41244 -186.05937 665.73328
5095.0000 -192.54793 -185.51212 7.03580 2.41424 -186.02650 668.12158
5100.0000 -194.75271 -187.63512 7.11758 2.38996 -186.46990 677.40869
5105.0000 -194.43425 -187.49566 6.93859 2.31303 -187.87422 641.73755
5110.0000 -194.47805 -186.97693 7.50112 2.35197 -187.16341 679.43502
5115.0000 -193.62418 -186.31696 7.30722 2.36649 -186.89830 667.11610
5120.0000 -194.37514 -187.82206 6.55308 2.38632 -186.53619 674.39005
5125.0000 -193.94963 -188.83971 5.10992 2.29533 -188.19738 629.01953
5130.0000 -193.39056 -186.31256 7.07800 2.29234 -188.25187 595.66442
5135.0000 -192.60253 -185.60272 6.99981 2.42043 -185.91361 700.04548
5140.0000 -192.93194 -185.75669 7.17526 2.43971 -185.56156 698.03708
5145.0000 -194.00409 -186.40430 7.59979 2.39884 -186.30770 685.13661
5150.0000 -193.53526 -186.56384 6.97143 2.35891 -187.03657 687.34678
5155.0000 -190.91360 -183.96073 6.95287 2.45059 -185.36302 700.32962
5160.0000 -192.58225 -184.83720 7.74505 2.50711 -184.33119 755.83676
5165.0000 -191.57423 -185.13319 6.44104 2.40957 -186.11190 689.60819
5170.0000 -193.85817 -187.30117 6.55699 2.43840 -185.58549 696.02350
5175.0000 -194.37019 -188.13309 6.23711 2.33424 -187.48700 647.26490
5180.0000 -193.66775 -187.00293 6.66482 2.32107 -187.72736 632.40769
5185.0000 -193.48243 -186.82325 6.65919 2.36157 -186.98811 668.98860
5190.0000 -193.09255 -186.47493 6.61762 2.39608 -186.35807 684.27403
5195.0000 -194.33552 -188.02749 6.30804 2.32216 -187.70755 648.68207
5200.0000 -193.30169 -186.33908 6.96261 2.37920 -186.66622 679.66347
5205.0000 -193.41954 -187.36553 6.05401 2.32125 -187.72425 611.10240
5210.0000 -194.44886 -187.47140 6.97746 2.32837 -187.59419 644.14511
5215.0000 -194.48373 -188.44002 6.04371 2.32912 -187.58053 658.37796
5220.0000 -194.63994 -187.23841 7.40153 2.34387 -187.31128 676.65485
5225.0000 -193.17635 -185.72158 7.45477 2.38092 -186.63484 682.98451
5230.0000 -191.99248 -185.56880 6.42368 2.43907 -185.57323 732.78252
5235.0000 -193.80801 -187.03194 6.77606 2.38704 -186.52307 691.71390
5240.0000 -194.58697 -187.59040 6.99657 2.33655 -187.44490 658.88334
5245.0000 -194.77348 -187.95897 6.81451 2.30481 -188.02436 653.49213
5250.0000 -193.53033 -186.81764 6.71268 2.34439 -187.30176 676.21213
FREEZING PROCESS: loop number 22 T-loop= 647.00000000000000
main_MD> interactions number 22 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.47589 1.37692 -0.24445
force_rgl> df(natom) 3.63394 -1.15764 0.14558
5255.0000 -193.48445 -186.17125 7.31320 2.38457 -186.56829 690.25904
5260.0000 -193.12555 -186.62524 6.50031 2.40977 -186.10813 698.90743
5265.0000 -192.95979 -186.18450 6.77529 2.39036 -186.46248 693.60634
5270.0000 -192.78687 -185.88365 6.90322 2.39252 -186.42312 689.77655
5275.0000 -192.63758 -185.65009 6.98749 2.44470 -185.47051 716.32915
5280.0000 -193.30496 -185.86872 7.43625 2.44325 -185.49691 714.81186
5285.0000 -194.21358 -187.41273 6.80084 2.35559 -187.09729 649.95532
5290.0000 -193.58351 -187.64218 5.94133 2.32028 -187.74180 644.98466
5295.0000 -194.79274 -187.67361 7.11913 2.31549 -187.82938 630.19979
5300.0000 -194.37073 -188.39174 5.97899 2.29667 -188.17293 642.14484
5305.0000 -194.13032 -187.32366 6.80665 2.33563 -187.46164 665.67905
5310.0000 -193.54137 -187.07978 6.46159 2.33671 -187.44185 666.52900
5315.0000 -194.21596 -187.87707 6.33888 2.35260 -187.15182 671.35278
5320.0000 -194.20098 -188.26026 5.94072 2.32681 -187.62266 646.58986
5325.0000 -194.13939 -188.44815 5.69124 2.30578 -188.00649 636.65299
5330.0000 -194.48381 -188.15604 6.32777 2.30853 -187.95628 624.31901
5335.0000 -194.92831 -188.88740 6.04091 2.28357 -188.41211 613.02713
5340.0000 -194.40397 -188.70181 5.70216 2.27260 -188.61235 587.91029
5345.0000 -193.90374 -187.82139 6.08235 2.29672 -188.17192 596.05555
5350.0000 -193.93527 -187.11590 6.81937 2.30460 -188.02819 623.41531
5355.0000 -194.51154 -187.31252 7.19902 2.36561 -186.91429 685.82574
5360.0000 -194.63824 -188.27512 6.36312 2.34633 -187.26629 658.32634
5365.0000 -194.83824 -187.66500 7.17325 2.31481 -187.84180 636.43278
5370.0000 -193.48690 -187.81375 5.67314 2.31280 -187.87844 631.35464
5375.0000 -194.10526 -187.90066 6.20459 2.29508 -188.20183 599.08817
5380.0000 -194.11997 -185.39449 8.72548 2.40576 -186.18136 683.98740
5385.0000 -194.75055 -187.62534 7.12521 2.35974 -187.02153 670.14726
5390.0000 -195.35674 -187.06500 8.29174 2.34291 -187.32878 639.17524
5395.0000 -193.85895 -187.65217 6.20678 2.36190 -186.98201 657.95377
5400.0000 -195.13603 -188.92446 6.21157 2.28244 -188.43274 602.98239
5405.0000 -194.08724 -187.31519 6.77205 2.30652 -187.99302 618.25147
5410.0000 -193.50225 -187.46802 6.03422 2.31647 -187.81138 636.57535
5415.0000 -194.91886 -188.63651 6.28235 2.29623 -188.18088 631.61262
5420.0000 -195.51656 -188.35080 7.16576 2.29395 -188.22247 644.36079
5425.0000 -193.83975 -187.60289 6.23686 2.28185 -188.44334 622.41831
5430.0000 -193.25083 -185.95417 7.29666 2.37650 -186.71563 689.24962
5435.0000 -195.00714 -187.57930 7.42785 2.38967 -186.47519 683.15509
5440.0000 -194.20780 -187.20961 6.99819 2.34180 -187.34900 689.26939
5445.0000 -193.87395 -187.73102 6.14293 2.33776 -187.42272 638.37723
5450.0000 -193.54838 -186.79711 6.75127 2.35466 -187.11428 655.32140
5455.0000 -194.02583 -185.99915 8.02669 2.34818 -187.23249 668.46575
5460.0000 -193.50639 -186.84799 6.65840 2.41402 -186.03068 708.57131
5465.0000 -193.02491 -185.15556 7.86935 2.41590 -185.99629 699.35178
5470.0000 -194.31674 -186.54449 7.77225 2.40479 -186.19910 696.71924
5475.0000 -193.14667 -185.75655 7.39011 2.40347 -186.22311 687.40405
5480.0000 -193.86076 -187.05111 6.80965 2.39673 -186.34617 709.11339
5485.0000 -193.48902 -187.44905 6.03997 2.35457 -187.11594 676.78360
5490.0000 -193.98294 -187.26851 6.71443 2.30793 -187.96723 618.07634
5495.0000 -195.36005 -189.27990 6.08015 2.27989 -188.47916 615.82636
5500.0000 -194.21606 -187.44478 6.77128 2.25249 -188.97947 596.63059
FREEZING PROCESS: loop number 23 T-loop= 622.00000000000000
main_MD> interactions number 23 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.69487 0.27426 0.27311
force_rgl> df(natom) 3.15582 2.67001 1.80455
5505.0000 -194.23923 -187.00546 7.23377 2.36693 -186.89026 677.53793
5510.0000 -193.91237 -187.54809 6.36428 2.37014 -186.83166 673.04910
5515.0000 -195.32814 -189.73100 5.59714 2.25900 -188.86050 615.77274
5520.0000 -194.97170 -188.81772 6.15398 2.27293 -188.60631 630.15868
5525.0000 -195.27190 -189.34506 5.92684 2.23267 -189.34127 592.68171
5530.0000 -195.50770 -190.11692 5.39078 2.23364 -189.32345 596.58049
5535.0000 -195.25789 -189.28053 5.97737 2.19820 -189.97047 569.63323
5540.0000 -193.71670 -187.70451 6.01219 2.27334 -188.59881 611.78335
5545.0000 -192.86801 -187.04835 5.81967 2.33822 -187.41443 624.91073
5550.0000 -194.55314 -187.78215 6.77099 2.31692 -187.80321 637.09858
5555.0000 -194.77678 -188.20360 6.57318 2.27400 -188.58667 611.96811
5560.0000 -195.37491 -188.26016 7.11475 2.31177 -187.89729 649.68643
5565.0000 -195.76190 -188.61859 7.14331 2.27023 -188.65553 620.30118
5570.0000 -195.17710 -189.23018 5.94692 2.24521 -189.11227 599.18613
5575.0000 -195.68645 -189.49295 6.19349 2.23608 -189.27901 595.43786
5580.0000 -194.50405 -188.98110 5.52294 2.24980 -189.02848 604.31477
5585.0000 -193.80556 -188.18068 5.62488 2.26376 -188.77372 614.76484
5590.0000 -194.82715 -188.80202 6.02512 2.29402 -188.22135 618.74644
5595.0000 -195.64274 -189.58091 6.06183 2.22769 -189.43211 597.23994
5600.0000 -195.70404 -189.75928 5.94476 2.21468 -189.66964 571.38016
5605.0000 -194.89137 -188.62283 6.26854 2.26923 -188.67380 616.50336
5610.0000 -195.30898 -189.02098 6.28801 2.26579 -188.73666 615.42019
5615.0000 -195.18679 -188.83512 6.35167 2.24582 -189.10125 595.92904
5620.0000 -194.79579 -187.67010 7.12569 2.27079 -188.64527 627.41121
5625.0000 -194.44247 -187.40895 7.03352 2.33716 -187.43364 657.79600
5630.0000 -194.20429 -188.13841 6.06588 2.29501 -188.20326 637.11638
5635.0000 -194.54159 -188.54331 5.99828 2.27487 -188.57080 597.05979
5640.0000 -195.08077 -188.99202 6.08875 2.28785 -188.33390 622.51807
5645.0000 -194.98898 -188.53068 6.45830 2.27281 -188.60839 616.00382
5650.0000 -193.94702 -188.22286 5.72416 2.30195 -188.07657 610.80073
5655.0000 -194.86579 -188.55407 6.31173 2.32170 -187.71594 623.59052
5660.0000 -194.02650 -188.01747 6.00903 2.32261 -187.69926 637.04380
5665.0000 -194.32189 -188.97282 5.34906 2.24884 -189.04602 593.70493
5670.0000 -195.28596 -189.68772 5.59824 2.25466 -188.93978 600.12952
5675.0000 -195.44663 -189.31416 6.13247 2.22897 -189.40878 582.94787
5680.0000 -194.47381 -187.98109 6.49272 2.25098 -189.00703 588.99859
5685.0000 -195.28421 -189.36026 5.92395 2.27309 -188.60332 581.72119
5690.0000 -194.40473 -187.45174 6.95299 2.28329 -188.41713 608.72304
5695.0000 -192.63772 -186.66308 5.97464 2.36085 -187.00122 664.88131
5700.0000 -193.97746 -186.78797 7.18949 2.33905 -187.39917 661.37702
5705.0000 -194.77944 -188.18455 6.59489 2.33870 -187.40558 640.63568
5710.0000 -195.54543 -188.81816 6.72727 2.25166 -188.99460 607.43752
5715.0000 -196.22105 -189.54755 6.67350 2.26573 -188.73773 637.15828
5720.0000 -195.29285 -189.55570 5.73715 2.22284 -189.52075 615.29926
5725.0000 -195.10301 -188.88710 6.21591 2.21847 -189.60050 598.94677
5730.0000 -195.67290 -188.76811 6.90478 2.25529 -188.92838 639.19110
5735.0000 -195.94490 -189.57445 6.37044 2.23089 -189.37378 591.63611
5740.0000 -194.89717 -188.64104 6.25613 2.26128 -188.81889 619.38857
5745.0000 -195.85243 -189.56680 6.28563 2.23896 -189.22637 607.08856
5750.0000 -194.00210 -187.82547 6.17663 2.25478 -188.93765 587.70920
FREEZING PROCESS: loop number 24 T-loop= 597.00000000000000
main_MD> interactions number 24 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69194 -1.09286 -3.17158
force_rgl> df(natom) -1.37226 -1.61584 0.24975
5755.0000 -193.97092 -187.48114 6.48978 2.27896 -188.49624 584.63736
5760.0000 -194.62751 -188.76628 5.86122 2.33101 -187.54603 619.14546
5765.0000 -194.70058 -189.03988 5.66070 2.25450 -188.94272 582.27658
5770.0000 -195.31019 -189.23931 6.07089 2.22313 -189.51540 582.51515
5775.0000 -195.90161 -189.43098 6.47063 2.21934 -189.58459 579.39403
5780.0000 -194.54197 -188.00042 6.54155 2.26618 -188.72942 603.67497
5785.0000 -194.09346 -188.05102 6.04244 2.28714 -188.34688 624.25438
5790.0000 -194.75629 -187.49655 7.25973 2.28945 -188.30460 627.89647
5795.0000 -194.08387 -186.26512 7.81875 2.35702 -187.07110 643.27806
5800.0000 -195.13628 -189.17765 5.95863 2.29816 -188.14577 611.63158
5805.0000 -193.59169 -187.68306 5.90863 2.27830 -188.50828 610.86922
5810.0000 -195.10941 -189.12975 5.97965 2.26845 -188.68811 599.54639
5815.0000 -195.70482 -188.97845 6.72637 2.26059 -188.83158 591.61284
5820.0000 -193.87522 -186.77040 7.10482 2.27643 -188.54246 633.36871
5825.0000 -193.30354 -187.29629 6.00725 2.35974 -187.02157 671.69721
5830.0000 -193.69246 -187.00502 6.68743 2.35618 -187.08650 662.01502
5835.0000 -195.14240 -189.23469 5.90771 2.26983 -188.66278 599.61053
5840.0000 -195.60239 -189.60126 6.00112 2.20681 -189.81325 571.32579
5845.0000 -195.94515 -190.01710 5.92805 2.17983 -190.30587 554.22050
5850.0000 -195.93291 -190.32044 5.61248 2.18347 -190.23934 562.45674
5855.0000 -196.45141 -190.75972 5.69170 2.16478 -190.58070 549.12592
5860.0000 -195.52554 -189.97233 5.55321 2.17774 -190.34403 532.24432
5865.0000 -195.59642 -190.05995 5.53647 2.20520 -189.84277 547.52139
5870.0000 -194.37540 -189.48471 4.89069 2.22182 -189.53924 587.91738
5875.0000 -194.84326 -189.66709 5.17617 2.19302 -190.06507 558.71614
5880.0000 -195.68907 -189.39749 6.29158 2.24717 -189.07645 592.50668
5885.0000 -195.16082 -189.07888 6.08194 2.26130 -188.81855 613.10322
5890.0000 -195.72646 -190.09463 5.63183 2.25592 -188.91673 605.86095
5895.0000 -194.24786 -188.65079 5.59707 2.21453 -189.67248 547.15121
5900.0000 -194.67463 -188.90511 5.76952 2.26908 -188.67649 597.22422
5905.0000 -194.98041 -188.58248 6.39794 2.24946 -189.03464 579.10074
5910.0000 -194.42188 -189.19833 5.22355 2.26379 -188.77304 583.73114
5915.0000 -193.98707 -188.41921 5.56786 2.30706 -187.98327 603.67099
5920.0000 -195.93475 -190.53761 5.39714 2.24208 -189.16942 603.46455
5925.0000 -195.46568 -190.23452 5.23116 2.18320 -190.24431 545.93979
5930.0000 -195.35480 -189.96484 5.38996 2.18443 -190.22182 552.39213
5935.0000 -195.58405 -190.77094 4.81312 2.18571 -190.19846 547.50212
5940.0000 -196.60927 -191.78229 4.82698 2.13546 -191.11588 515.37382
5945.0000 -195.74085 -189.82656 5.91429 2.16632 -190.55256 531.22595
5950.0000 -195.74199 -189.53802 6.20397 2.22314 -189.51521 581.29301
5955.0000 -195.53327 -189.03422 6.49906 2.23811 -189.24194 586.90615
5960.0000 -195.41246 -189.05459 6.35787 2.24608 -189.09649 578.83938
5965.0000 -194.43492 -187.99006 6.44486 2.31132 -187.90543 655.16808
5970.0000 -194.67305 -188.54054 6.13251 2.27617 -188.54704 620.38155
5975.0000 -194.26603 -188.69452 5.57151 2.26279 -188.79143 603.35921
5980.0000 -194.40494 -189.02073 5.38421 2.27466 -188.57469 620.91359
5985.0000 -194.63232 -188.71684 5.91548 2.26757 -188.70410 595.72717
5990.0000 -195.69658 -189.84866 5.84792 2.25231 -188.98273 580.35344
5995.0000 -195.15453 -190.58340 4.57113 2.14993 -190.85179 482.09637
6000.0000 -194.97395 -189.43774 5.53621 2.18067 -190.29060 518.79892
FREEZING PROCESS: loop number 25 T-loop= 572.00000000000000
main_MD> interactions number 25 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49693 -2.04601 1.87545
force_rgl> df(natom) -0.85939 0.67881 -0.10304
6005.0000 -194.93856 -189.60061 5.33795 2.24428 -189.12926 581.38369
6010.0000 -195.57228 -189.77806 5.79421 2.18626 -190.18849 532.09786
6015.0000 -195.63407 -189.87003 5.76403 2.19885 -189.95868 538.10703
6020.0000 -193.44749 -187.58302 5.86447 2.27914 -188.49291 608.63684
6025.0000 -194.95448 -189.55963 5.39485 2.26094 -188.82507 587.82792
6030.0000 -196.49526 -191.14888 5.34637 2.19513 -190.02656 549.53485
6035.0000 -195.09823 -189.59210 5.50613 2.17421 -190.40843 536.05807
6040.0000 -195.82844 -190.22135 5.60709 2.19683 -189.99546 545.05481
6045.0000 -196.26780 -190.81620 5.45160 2.16664 -190.54666 555.34171
6050.0000 -195.34520 -189.90510 5.44010 2.16067 -190.65564 572.50848
6055.0000 -196.75619 -191.37774 5.37845 2.21460 -189.67114 607.22790
6060.0000 -196.63604 -190.35472 6.28132 2.12258 -191.35095 547.31427
6065.0000 -197.09929 -191.12708 5.97220 2.15359 -190.78482 577.72831
6070.0000 -196.79714 -191.45888 5.33826 2.12977 -191.21981 558.53766
6075.0000 -196.62519 -190.97194 5.65324 2.14255 -190.98651 558.74131
6080.0000 -197.10972 -191.85617 5.25355 2.10897 -191.59944 519.48712
6085.0000 -197.62996 -192.07505 5.55491 2.10081 -191.74835 508.32099
6090.0000 -195.97364 -190.89575 5.07789 2.16700 -190.54014 566.07468
6095.0000 -195.97314 -190.77481 5.19833 2.12300 -191.34330 527.11660
6100.0000 -196.97089 -191.95884 5.01206 2.12500 -191.30674 547.26637
6105.0000 -197.36638 -192.08721 5.27917 2.11293 -191.52711 542.32441
6110.0000 -196.83846 -191.26790 5.57056 2.08519 -192.03358 509.86451
6115.0000 -196.96836 -190.66436 6.30400 2.11260 -191.53313 520.65899
6120.0000 -195.60382 -190.23474 5.36909 2.18639 -190.18604 575.10911
6125.0000 -196.62647 -190.70401 5.92245 2.17220 -190.44512 568.67272
6130.0000 -196.28310 -189.57195 6.71115 2.18020 -190.29915 568.73747
6135.0000 -195.54106 -189.96287 5.57818 2.18853 -190.14710 576.49304
6140.0000 -194.95840 -189.68656 5.27183 2.22569 -189.46872 590.68840
6145.0000 -196.66094 -191.11452 5.54643 2.19905 -189.95508 553.44394
6150.0000 -195.85660 -190.44311 5.41349 2.15184 -190.81693 532.88422
6155.0000 -196.06374 -190.78451 5.27923 2.16487 -190.57892 546.37656
6160.0000 -195.77879 -190.67985 5.09894 2.15868 -190.69205 533.51282
6165.0000 -196.06773 -190.58240 5.48534 2.17768 -190.34516 564.14721
6170.0000 -196.33184 -191.41783 4.91401 2.12219 -191.35819 511.67195
6175.0000 -196.66005 -191.47398 5.18607 2.15807 -190.70315 531.58942
6180.0000 -196.90558 -191.33030 5.57527 2.15959 -190.67540 534.24299
6185.0000 -194.78465 -188.97153 5.81312 2.18227 -190.26124 560.46096
6190.0000 -193.56426 -188.06747 5.49678 2.27786 -188.51634 612.58589
6195.0000 -194.87258 -189.26329 5.60929 2.26478 -188.75513 604.09660
6200.0000 -195.95851 -189.83916 6.11935 2.22587 -189.46535 581.22795
6205.0000 -195.05447 -188.61438 6.44009 2.24840 -189.05404 597.86552
6210.0000 -194.68873 -189.26727 5.42145 2.23962 -189.21434 576.80192
6215.0000 -195.40234 -190.26089 5.14145 2.19453 -190.03745 554.14579
6220.0000 -195.43259 -190.66474 4.76785 2.16474 -190.58137 524.91903
6225.0000 -196.30158 -189.54929 6.75228 2.18039 -190.29570 569.00531
6230.0000 -196.13849 -189.82246 6.31603 2.22654 -189.45315 595.04206
6235.0000 -196.49587 -191.61841 4.87746 2.16512 -190.57446 552.30555
6240.0000 -196.83468 -191.33939 5.49529 2.13873 -191.05616 531.08911
6245.0000 -195.01671 -189.33507 5.68164 2.18457 -190.21935 550.32922
6250.0000 -194.92479 -188.51489 6.40989 2.22247 -189.52751 586.71544
FREEZING PROCESS: loop number 26 T-loop= 547.00000000000000
main_MD> interactions number 26 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.77264 -0.15364 -1.90842
force_rgl> df(natom) 0.76386 -0.43161 0.36549
6255.0000 -195.06578 -188.41637 6.64941 2.27703 -188.53149 602.57107
6260.0000 -195.16402 -189.06102 6.10299 2.26305 -188.78663 602.36602
6265.0000 -195.89227 -190.43748 5.45479 2.18052 -190.29329 557.02044
6270.0000 -196.02048 -190.59833 5.42215 2.15973 -190.67285 518.83674
6275.0000 -196.42966 -190.61672 5.81294 2.18840 -190.14936 566.92681
6280.0000 -196.36768 -190.57673 5.79095 2.15146 -190.82377 540.42056
6285.0000 -195.78300 -190.82000 4.96300 2.16072 -190.65467 536.22881
6290.0000 -197.69771 -192.55703 5.14069 2.10310 -191.70657 523.84872
6295.0000 -197.20182 -192.60538 4.59644 2.06435 -192.41401 497.18693
6300.0000 -197.17717 -191.98165 5.19552 2.03100 -193.02286 483.46011
6305.0000 -197.40131 -192.07039 5.33092 2.08267 -192.07951 538.07122
6310.0000 -197.36223 -191.87568 5.48655 2.09755 -191.80799 517.35090
6315.0000 -196.15766 -191.00537 5.15229 2.13623 -191.10176 532.53022
6320.0000 -195.99229 -189.81311 6.17918 2.16711 -190.53804 537.87210
6325.0000 -196.52826 -191.17367 5.35459 2.17308 -190.42905 524.69541
6330.0000 -196.24085 -190.58377 5.65708 2.14472 -190.94682 519.95533
6335.0000 -195.42710 -189.64415 5.78295 2.19192 -190.08514 565.56112
6340.0000 -196.43617 -191.17838 5.25779 2.16329 -190.60784 544.66945
6345.0000 -195.95922 -190.68135 5.27787 2.12444 -191.31713 528.02312
6350.0000 -196.54542 -190.32813 6.21729 2.17621 -190.37191 561.98348
6355.0000 -195.05399 -189.71522 5.33877 2.21032 -189.74924 594.25331
6360.0000 -196.26604 -190.76678 5.49926 2.18157 -190.27418 545.39628
6365.0000 -197.19895 -191.50751 5.69145 2.10505 -191.67105 524.20454
6370.0000 -196.04980 -190.24009 5.80972 2.14551 -190.93240 554.44077
6375.0000 -197.91321 -191.84667 6.06654 2.14221 -190.99263 560.56621
6380.0000 -197.54464 -191.77352 5.77112 2.10957 -191.58850 557.88889
6385.0000 -197.06168 -191.52312 5.53856 2.08805 -191.98134 518.24855
6390.0000 -196.94214 -192.53141 4.41073 2.09092 -191.92905 525.16340
6395.0000 -197.23193 -192.75822 4.47372 2.04842 -192.70487 480.58757
6400.0000 -197.48664 -192.84281 4.64383 2.04449 -192.77661 493.32072
6405.0000 -197.65506 -192.10980 5.54526 2.05787 -192.53236 504.12774
6410.0000 -197.07070 -191.99493 5.07577 2.07093 -192.29398 517.51932
6415.0000 -196.15570 -191.49457 4.66113 2.09898 -191.78180 517.92178
6420.0000 -197.25729 -191.64701 5.61028 2.09939 -191.77431 516.02116
6425.0000 -196.87547 -191.89378 4.98168 2.07367 -192.24387 512.84809
6430.0000 -197.69897 -191.53608 6.16289 2.10401 -191.69009 537.43925
6435.0000 -197.92798 -192.04848 5.87950 2.11967 -191.40407 544.76579
6440.0000 -196.51126 -191.46891 5.04235 2.08459 -192.04451 525.87153
6445.0000 -196.23735 -191.68770 4.54964 2.12059 -191.38725 537.34225
6450.0000 -195.78256 -190.11736 5.66520 2.13269 -191.16636 538.02634
6455.0000 -195.79575 -190.20087 5.59489 2.18177 -190.27053 566.95338
6460.0000 -196.23151 -190.65939 5.57212 2.15824 -190.69996 547.32876
6465.0000 -197.10897 -190.47899 6.62998 2.15492 -190.76056 543.88952
6470.0000 -195.68956 -190.14510 5.54446 2.17349 -190.42169 550.92677
6475.0000 -195.84429 -190.15158 5.69272 2.15614 -190.73827 534.83880
6480.0000 -195.37427 -190.20098 5.17330 2.20169 -189.90683 590.84563
6485.0000 -195.92274 -190.79026 5.13248 2.15930 -190.68074 554.58023
6490.0000 -197.63523 -191.99789 5.63734 2.13479 -191.12807 548.89472
6495.0000 -196.96350 -191.19177 5.77173 2.11245 -191.53599 537.10880
6500.0000 -197.61851 -192.99242 4.62609 2.09914 -191.77897 509.56045
FREEZING PROCESS: loop number 27 T-loop= 522.00000000000000
main_MD> interactions number 27 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34774 1.15793 0.80379
force_rgl> df(natom) 0.76197 -1.36109 0.98534
6505.0000 -197.81186 -192.66364 5.14823 2.04346 -192.79535 471.11039
6510.0000 -196.93242 -192.12022 4.81220 2.07413 -192.23554 499.63589
6515.0000 -195.20856 -189.80217 5.40638 2.11898 -191.41670 520.75296
6520.0000 -196.01917 -190.21152 5.80765 2.19359 -190.05473 562.89129
6525.0000 -195.66163 -189.38513 6.27650 2.23940 -189.21841 598.31968
6530.0000 -195.54775 -189.89836 5.64939 2.21465 -189.67016 559.77531
6535.0000 -196.10611 -190.36290 5.74321 2.20055 -189.92767 575.23915
6540.0000 -196.07928 -190.88839 5.19089 2.15986 -190.67042 531.61448
6545.0000 -195.73606 -190.08995 5.64611 2.17919 -190.31753 555.26322
6550.0000 -197.10456 -191.33951 5.76505 2.15764 -190.71092 548.32355
6555.0000 -196.43920 -190.82720 5.61200 2.10936 -191.59228 503.23758
6560.0000 -195.68834 -191.19201 4.49632 2.14905 -190.86774 514.12603
6565.0000 -196.96143 -191.20644 5.75500 2.13623 -191.10189 519.54830
6570.0000 -197.25789 -190.92951 6.32837 2.14939 -190.86150 544.71892
6575.0000 -196.47659 -191.46924 5.00736 2.10559 -191.66125 501.07968
6580.0000 -197.06288 -192.15975 4.90313 2.13757 -191.07737 521.15304
6585.0000 -196.71169 -191.49628 5.21541 2.09247 -191.90063 478.55957
6590.0000 -196.86131 -192.23613 4.62518 2.13239 -191.17186 518.29637
6595.0000 -196.20160 -191.53372 4.66787 2.09824 -191.79537 488.23593
6600.0000 -196.31455 -191.29270 5.02185 2.12719 -191.26678 510.92287
6605.0000 -195.57154 -190.39723 5.17431 2.15386 -190.77990 550.81349
6610.0000 -196.20938 -191.22953 4.97985 2.14673 -190.91006 536.82781
6615.0000 -196.58674 -191.02007 5.56667 2.13543 -191.11635 536.58272
6620.0000 -197.37616 -191.58490 5.79126 2.13040 -191.20830 532.07147
6625.0000 -197.00652 -191.79062 5.21589 2.11534 -191.48315 533.54559
6630.0000 -197.01431 -191.70072 5.31359 2.09549 -191.84546 490.29600
6635.0000 -196.41832 -191.35003 5.06828 2.13083 -191.20046 499.52144
6640.0000 -195.27455 -189.91723 5.35732 2.16437 -190.58818 532.44336
6645.0000 -195.36235 -190.16333 5.19903 2.18600 -190.19317 567.31015
6650.0000 -197.30214 -191.75363 5.54851 2.14374 -190.96464 554.40669
6655.0000 -197.23700 -191.95386 5.28314 2.08887 -191.96647 536.51228
6660.0000 -196.69517 -191.82598 4.86918 2.07750 -192.17402 513.87666
6665.0000 -196.86822 -191.80165 5.06656 2.07640 -192.19406 513.16626
6670.0000 -197.28657 -192.13124 5.15533 2.10874 -191.60374 532.54339
6675.0000 -197.65137 -192.58507 5.06631 2.06303 -192.43821 489.90496
6680.0000 -196.95535 -191.76574 5.18961 2.04814 -192.70996 491.52392
6685.0000 -197.16147 -191.61135 5.55012 2.09679 -191.82181 523.21947
6690.0000 -197.73723 -192.52592 5.21131 2.09033 -191.93976 504.54916
6695.0000 -197.60592 -192.01637 5.58955 2.04909 -192.69259 477.24283
6700.0000 -196.99290 -191.18052 5.81238 2.09934 -191.77520 524.48333
6705.0000 -196.76656 -192.18726 4.57930 2.12001 -191.39797 532.74440
6710.0000 -197.21501 -192.50530 4.70971 2.07872 -192.15169 503.06608
6715.0000 -196.40084 -191.32243 5.07841 2.09515 -191.85172 494.35332
6720.0000 -197.21564 -192.27735 4.93829 2.09186 -191.91184 478.75271
6725.0000 -196.46441 -191.41416 5.05025 2.09012 -191.94366 500.40450
6730.0000 -195.78004 -190.97541 4.80464 2.14137 -191.00789 520.29972
6735.0000 -196.06205 -191.16083 4.90122 2.14633 -190.91740 514.61692
6740.0000 -195.30129 -189.59235 5.70895 2.19473 -190.03389 557.37734
6745.0000 -195.85146 -190.55991 5.29155 2.18452 -190.22030 540.22005
6750.0000 -195.53274 -190.51113 5.02161 2.18518 -190.20823 544.06002
FREEZING PROCESS: loop number 28 T-loop= 497.00000000000000
main_MD> interactions number 28 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00780 -0.62508 -2.75617
force_rgl> df(natom) -0.11966 2.76717 1.15223
6755.0000 -196.05477 -190.93716 5.11761 2.14110 -191.01289 505.41936
6760.0000 -195.99017 -191.33029 4.65988 2.09884 -191.78434 492.27229
6765.0000 -197.56412 -192.25107 5.31305 2.13393 -191.14383 528.09446
6770.0000 -197.33822 -192.04607 5.29216 2.08206 -192.09069 505.37377
6775.0000 -196.83180 -191.57142 5.26038 2.08503 -192.03647 515.40341
6780.0000 -197.56285 -192.74606 4.81679 2.08873 -191.96902 494.35519
6785.0000 -197.30462 -192.27721 5.02741 2.04998 -192.67636 470.96905
6790.0000 -197.56652 -192.55423 5.01230 2.06093 -192.47654 497.33984
6795.0000 -198.25660 -192.86702 5.38959 2.02750 -193.08669 487.95055
6800.0000 -198.42859 -194.02462 4.40396 2.00372 -193.52088 469.16385
6805.0000 -197.63587 -193.24213 4.39374 1.96931 -194.14903 456.76264
6810.0000 -198.22539 -193.74244 4.48296 2.02189 -193.18925 487.62653
6815.0000 -197.68864 -192.56362 5.12502 2.02339 -193.16182 488.56583
6820.0000 -198.36185 -193.19100 5.17085 2.04444 -192.77743 500.91897
6825.0000 -198.51793 -194.14579 4.37214 2.02799 -193.07789 484.48152
6830.0000 -198.30042 -193.95038 4.35004 1.96196 -194.28322 426.99923
6835.0000 -197.51808 -192.82030 4.69778 2.03289 -192.98843 468.06006
6840.0000 -196.87723 -192.00150 4.87573 2.06713 -192.36336 501.47242
6845.0000 -196.94774 -192.36377 4.58397 2.08448 -192.04657 518.63411
6850.0000 -197.06995 -191.79894 5.27101 2.08099 -192.11033 517.83047
6855.0000 -197.31514 -191.59151 5.72363 2.09934 -191.77531 519.23950
6860.0000 -197.18899 -192.47421 4.71479 2.11602 -191.47068 526.22436
6865.0000 -197.15002 -191.94003 5.20999 2.05686 -192.55077 478.98437
6870.0000 -196.85780 -192.27002 4.58778 2.08090 -192.11186 484.09000
6875.0000 -197.51631 -192.97679 4.53952 2.05484 -192.58768 462.47217
6880.0000 -198.58081 -194.04026 4.54055 2.01817 -193.25713 461.92766
6885.0000 -198.43673 -193.87167 4.56506 2.01555 -193.30493 471.20290
6890.0000 -198.23443 -193.83900 4.39543 1.98802 -193.80752 447.53366
6895.0000 -198.73512 -193.91020 4.82492 1.97603 -194.02631 448.97023
6900.0000 -198.83265 -193.52082 5.31182 2.00161 -193.55933 457.88633
6905.0000 -198.11252 -193.35707 4.75545 2.02168 -193.19297 485.42309
6910.0000 -197.72780 -192.94398 4.78382 2.01327 -193.34653 484.02492
6915.0000 -197.72998 -192.78615 4.94383 2.04762 -192.71943 508.82878
6920.0000 -197.45733 -192.75814 4.69919 2.04097 -192.84088 476.92056
6925.0000 -197.22896 -191.40257 5.82640 2.06880 -192.33283 497.95632
6930.0000 -196.84555 -191.22446 5.62109 2.13324 -191.15645 548.99616
6935.0000 -197.26359 -192.61507 4.64852 2.10314 -191.70592 515.55539
6940.0000 -197.13731 -192.40272 4.73459 2.05405 -192.60203 478.12600
6945.0000 -197.42478 -192.10754 5.31724 2.09088 -191.92972 519.96340
6950.0000 -197.15946 -191.98799 5.17147 2.08796 -191.98310 522.96372
6955.0000 -197.33849 -192.72014 4.61835 2.07024 -192.30648 512.31076
6960.0000 -196.89159 -192.52354 4.36804 2.06075 -192.47979 502.70203
6965.0000 -197.46840 -193.44839 4.02000 2.03341 -192.97880 468.31575
6970.0000 -197.73015 -192.71931 5.01084 2.02168 -193.19300 467.86608
6975.0000 -198.08572 -191.71284 6.37287 2.08033 -192.12236 522.29486
6980.0000 -197.97758 -193.18225 4.79533 2.06500 -192.40208 505.25942
6985.0000 -197.35111 -192.89368 4.45743 2.05608 -192.56508 485.24111
6990.0000 -197.53160 -192.96243 4.56917 2.05262 -192.62822 496.06782
6995.0000 -196.62708 -191.28329 5.34380 2.07628 -192.19631 499.17511
7000.0000 -197.87328 -192.25634 5.61694 2.10355 -191.69841 528.81571
FREEZING PROCESS: loop number 29 T-loop= 472.00000000000000
main_MD> interactions number 29 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33925 -1.49778 1.35708
force_rgl> df(natom) -0.51627 0.16450 -1.43455
7005.0000 -198.14241 -192.71949 5.42292 2.04799 -192.71270 492.80706
7010.0000 -197.32305 -193.01754 4.30551 2.03064 -193.02938 470.40809
7015.0000 -197.55064 -193.54745 4.00319 2.04038 -192.85152 466.20897
7020.0000 -197.94084 -192.37764 5.56320 2.03107 -193.02157 461.64955
7025.0000 -196.55759 -192.13007 4.42751 2.09532 -191.84867 494.38661
7030.0000 -197.14148 -192.04562 5.09585 2.08763 -191.98896 515.74016
7035.0000 -197.63607 -192.69953 4.93653 2.08149 -192.10119 512.63770
7040.0000 -198.15173 -194.03001 4.12171 1.99738 -193.63657 447.20995
7045.0000 -198.38308 -194.14584 4.23724 1.97413 -194.06104 429.71574
7050.0000 -197.94807 -193.75195 4.19612 2.01424 -193.32873 454.53201
7055.0000 -197.76179 -193.15638 4.60540 2.00477 -193.50178 459.47830
7060.0000 -197.23457 -192.24498 4.98959 2.06495 -192.40315 496.43030
7065.0000 -197.78999 -192.63453 5.15545 2.05078 -192.66174 482.52942
7070.0000 -197.40237 -192.78397 4.61840 2.02032 -193.21786 461.07446
7075.0000 -197.66410 -192.48595 5.17814 2.07950 -192.13741 521.27900
7080.0000 -197.38954 -192.39015 4.99939 2.05009 -192.67433 495.51357
7085.0000 -197.70133 -191.85133 5.85001 2.10612 -191.65156 535.81665
7090.0000 -197.60936 -192.76693 4.84243 2.07008 -192.30938 492.87488
7095.0000 -196.63621 -192.44474 4.19148 2.04377 -192.78981 474.82190
7100.0000 -198.65705 -193.38507 5.27199 2.02240 -193.17988 444.44029
7105.0000 -197.69044 -193.16271 4.52773 2.01628 -193.29165 450.02678
7110.0000 -197.48034 -192.85238 4.62796 2.05472 -192.58974 473.78258
7115.0000 -198.12438 -193.50673 4.61765 2.00449 -193.50681 446.44678
7120.0000 -196.53872 -192.10957 4.42914 2.03335 -192.97997 457.99220
7125.0000 -196.52273 -191.27968 5.24305 2.09350 -191.88185 507.13634
7130.0000 -196.51814 -191.53127 4.98686 2.12624 -191.28420 526.49638
7135.0000 -197.77696 -192.46650 5.31046 2.06282 -192.44202 485.27281
7140.0000 -197.66969 -192.17569 5.49400 2.07809 -192.16327 519.23009
7145.0000 -198.15105 -193.14396 5.00709 2.05617 -192.56333 499.38488
7150.0000 -198.71026 -194.53332 4.17693 2.01372 -193.33827 466.18225
7155.0000 -198.22648 -193.83778 4.38870 1.97383 -194.06656 433.39856
7160.0000 -197.95152 -193.25213 4.69939 1.97995 -193.95480 437.66390
7165.0000 -197.74393 -192.95643 4.78751 2.01046 -193.39776 464.76003
7170.0000 -196.24742 -191.98332 4.26409 2.05831 -192.52434 495.03220
7175.0000 -197.49656 -192.40166 5.09490 2.08009 -192.12672 517.06406
7180.0000 -197.40170 -192.64651 4.75519 2.08326 -192.06888 503.74936
7185.0000 -198.44832 -193.57396 4.87435 2.00011 -193.58676 445.61851
7190.0000 -197.46923 -192.01232 5.45692 2.00293 -193.53526 454.58580
7195.0000 -197.68383 -193.19189 4.49194 2.06778 -192.35144 502.35531
7200.0000 -198.60237 -193.35267 5.24970 2.01701 -193.27816 466.96602
7205.0000 -198.85474 -193.94484 4.90990 2.00030 -193.58327 471.62149
7210.0000 -198.40939 -194.54988 3.85951 1.97424 -194.05907 449.16087
7215.0000 -199.13854 -194.71950 4.41904 1.95598 -194.39245 436.12921
7220.0000 -198.96471 -194.59292 4.37179 1.97166 -194.10611 448.15053
7225.0000 -198.35599 -193.47001 4.88598 1.97553 -194.03542 452.45408
7230.0000 -198.34211 -193.17227 5.16984 2.01606 -193.29564 472.23349
7235.0000 -198.45204 -193.68526 4.76678 2.01318 -193.34817 475.96230
7240.0000 -198.52009 -193.87058 4.64950 1.99952 -193.59748 471.43016
7245.0000 -198.01389 -193.55131 4.46258 1.98883 -193.79263 445.92375
7250.0000 -197.54534 -192.55953 4.98581 2.02556 -193.12212 490.57474
FREEZING PROCESS: loop number 30 T-loop= 447.00000000000000
main_MD> interactions number 30 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64790 -0.94635 -0.29850
force_rgl> df(natom) 0.40888 0.28731 -3.63778
7255.0000 -197.82083 -192.72241 5.09841 2.04652 -192.73951 511.50384
7260.0000 -198.32765 -194.05223 4.27542 1.98939 -193.78251 464.54314
7265.0000 -199.08149 -194.20582 4.87567 1.97910 -193.97041 453.98661
7270.0000 -198.87446 -193.80079 5.07367 1.96320 -194.26054 445.70064
7275.0000 -198.55149 -193.72662 4.82487 1.97414 -194.06090 456.32909
7280.0000 -198.01030 -193.80752 4.20278 1.97731 -194.00301 454.21923
7285.0000 -198.85456 -193.72263 5.13193 1.98385 -193.88353 467.36959
7290.0000 -198.07836 -193.50951 4.56885 1.97048 -194.12763 445.36249
7295.0000 -197.90930 -193.76322 4.14608 1.97393 -194.06461 441.27411
7300.0000 -198.62759 -194.22933 4.39826 1.98657 -193.83397 446.79376
7305.0000 -198.65324 -194.03815 4.61509 1.96816 -194.16995 442.25419
7310.0000 -198.73936 -193.91796 4.82140 1.97120 -194.11456 446.78535
7315.0000 -199.05225 -194.40063 4.65162 1.98139 -193.92854 458.78124
7320.0000 -199.00982 -194.83360 4.17622 1.93313 -194.80958 417.10123
7325.0000 -198.46124 -194.09237 4.36887 1.96634 -194.20323 440.08007
7330.0000 -198.55972 -194.21803 4.34169 1.96910 -194.15285 441.11524
7335.0000 -198.71757 -194.45426 4.26330 1.93960 -194.69146 427.48565
7340.0000 -198.75325 -194.33906 4.41419 1.95759 -194.36296 425.00741
7345.0000 -199.39236 -194.97266 4.41970 1.93563 -194.76389 427.38729
7350.0000 -197.90776 -193.59401 4.31375 1.94181 -194.65106 421.97529
7355.0000 -198.57263 -194.27007 4.30255 1.97160 -194.10728 440.15792
7360.0000 -198.12333 -193.15484 4.96849 2.00420 -193.51211 464.29944
7365.0000 -198.56112 -193.64071 4.92041 1.98899 -193.78978 452.85260
7370.0000 -197.42190 -193.05174 4.37016 2.01803 -193.25962 487.55369
7375.0000 -198.24920 -193.50657 4.74263 2.00477 -193.50162 474.76005
7380.0000 -197.94792 -194.01837 3.92955 2.01353 -193.34174 468.24642
7385.0000 -198.57410 -193.48231 5.09180 1.98180 -193.92100 447.26953
7390.0000 -197.76950 -193.24503 4.52447 2.01037 -193.39945 460.69892
7395.0000 -198.54967 -193.71632 4.83335 2.00936 -193.41792 464.61143
7400.0000 -198.53222 -193.76527 4.76695 1.99438 -193.69134 464.08667
7405.0000 -199.24490 -194.63889 4.60601 1.96731 -194.18555 441.29220
7410.0000 -198.78871 -193.73987 5.04884 1.94048 -194.67537 401.95566
7415.0000 -198.66486 -194.36546 4.29940 1.97272 -194.08674 423.30746
7420.0000 -198.60178 -194.38264 4.21914 1.96868 -194.16049 427.93312
7425.0000 -198.75224 -193.51832 5.23392 1.98938 -193.78265 451.47036
7430.0000 -198.51180 -193.89711 4.61469 2.01214 -193.36721 470.26672
7435.0000 -198.49140 -193.68820 4.80320 1.98006 -193.95282 456.15063
7440.0000 -198.78399 -194.31807 4.46592 1.98374 -193.88553 461.64444
7445.0000 -199.37678 -194.76414 4.61264 1.93192 -194.83167 417.55310
7450.0000 -198.99697 -194.78449 4.21248 1.96408 -194.24445 445.57692
7455.0000 -199.06728 -194.55501 4.51227 1.94190 -194.64935 421.70814
7460.0000 -199.13522 -194.56026 4.57496 1.97379 -194.06732 462.64009
7465.0000 -199.00382 -194.41485 4.58897 1.94224 -194.64328 433.08903
7470.0000 -199.30092 -194.74258 4.55834 1.95313 -194.44433 441.13965
7475.0000 -198.83490 -194.51028 4.32463 1.95710 -194.37196 439.44300
7480.0000 -198.88405 -194.78137 4.10268 1.95764 -194.36217 446.11161
7485.0000 -198.79181 -194.59294 4.19887 1.94800 -194.53798 427.84795
7490.0000 -198.53715 -193.47553 5.06162 1.97600 -194.02696 460.07247
7495.0000 -198.97239 -194.41773 4.55466 1.98553 -193.85290 457.64158
7500.0000 -199.53005 -194.74791 4.78214 1.91593 -195.12352 395.91613
FREEZING PROCESS: loop number 31 T-loop= 422.00000000000000
main_MD> interactions number 31 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84743 1.09459 -0.08340
force_rgl> df(natom) -0.54941 -0.44776 0.22282
7505.0000 -198.66010 -194.85143 3.80867 1.90457 -195.33099 389.51827
7510.0000 -199.43195 -195.12950 4.30245 1.90744 -195.27858 393.53910
7515.0000 -199.17473 -194.89305 4.28168 1.93782 -194.72390 424.80681
7520.0000 -198.88261 -194.48688 4.39573 1.92873 -194.88977 415.30914
7525.0000 -198.66546 -193.29678 5.36868 1.97192 -194.10147 437.60620
7530.0000 -198.69023 -194.76553 3.92470 1.97764 -193.99690 445.32082
7535.0000 -198.35708 -194.02287 4.33421 1.93951 -194.69315 413.88802
7540.0000 -198.02320 -193.29600 4.72720 2.01047 -193.39767 470.87679
7545.0000 -199.11707 -195.09773 4.01934 1.96491 -194.22942 424.13178
7550.0000 -198.58693 -194.80127 3.78566 1.90893 -195.25137 384.73090
7555.0000 -198.78050 -194.28154 4.49896 1.93177 -194.83443 414.28520
7560.0000 -198.64506 -194.40693 4.23812 1.95785 -194.35829 436.10068
7565.0000 -198.86353 -194.45899 4.40455 1.94468 -194.59862 423.70788
7570.0000 -197.90861 -193.59623 4.31238 1.96629 -194.20416 442.97300
7575.0000 -198.62038 -194.53936 4.08102 1.97491 -194.04684 439.56248
7580.0000 -199.05134 -195.11528 3.93605 1.94164 -194.65422 421.04162
7585.0000 -198.57001 -194.73833 3.83168 1.92678 -194.92551 411.45815
7590.0000 -199.23689 -195.38226 3.85463 1.92870 -194.89034 412.05248
7595.0000 -198.97304 -195.18877 3.78427 1.90473 -195.32804 393.53436
7600.0000 -199.40829 -195.41942 3.98887 1.92523 -194.95369 419.09589
7605.0000 -198.89261 -194.51089 4.38171 1.94739 -194.54918 433.10870
7610.0000 -199.16005 -195.11080 4.04925 1.92533 -194.95186 403.43664
7615.0000 -199.52865 -195.19854 4.33010 1.91637 -195.11541 399.43117
7620.0000 -198.69789 -194.75065 3.94724 1.93742 -194.73115 411.82587
7625.0000 -198.48638 -194.55767 3.92870 1.94860 -194.52717 431.14476
7630.0000 -199.30427 -194.84360 4.46067 1.93151 -194.83917 408.17433
7635.0000 -199.06114 -194.95026 4.11088 1.92615 -194.93698 418.65551
7640.0000 -198.49699 -194.16730 4.32969 1.93855 -194.71062 425.77257
7645.0000 -199.52543 -194.70965 4.81578 1.94816 -194.53521 442.00159
7650.0000 -199.33612 -195.01184 4.32427 1.94385 -194.61375 436.32525
7655.0000 -199.10517 -195.19194 3.91323 1.89886 -195.43517 390.95802
7660.0000 -199.06179 -194.67026 4.39152 1.95177 -194.46922 432.59083
7665.0000 -198.83044 -194.61713 4.21330 1.93329 -194.80660 420.17065
7670.0000 -199.15342 -194.49254 4.66088 1.93960 -194.69145 420.24993
7675.0000 -199.55309 -195.87676 3.67633 1.90685 -195.28932 408.39777
7680.0000 -199.51984 -194.92262 4.59723 1.90115 -195.39333 398.40345
7685.0000 -198.76301 -194.48746 4.27555 1.93416 -194.79079 423.45732
7690.0000 -198.74139 -194.70770 4.03369 1.96506 -194.22654 449.88388
7695.0000 -199.28763 -195.11573 4.17190 1.92779 -194.90696 416.52984
7700.0000 -199.84354 -195.68865 4.15489 1.91639 -195.11520 398.73030
7705.0000 -199.42798 -195.54147 3.88651 1.87838 -195.80899 373.69673
7710.0000 -199.35871 -194.81056 4.54815 1.92132 -195.02506 407.92080
7715.0000 -198.95644 -194.88274 4.07370 1.92410 -194.97442 412.91279
7720.0000 -199.12376 -195.02929 4.09447 1.94985 -194.50433 433.23364
7725.0000 -199.04435 -194.98444 4.05991 1.90145 -195.38787 397.11835
7730.0000 -199.08817 -195.13201 3.95616 1.92937 -194.87808 424.01610
7735.0000 -198.79839 -194.68284 4.11555 1.95999 -194.31921 434.33679
7740.0000 -198.63804 -193.48094 5.15710 1.98104 -193.93487 451.46098
7745.0000 -198.46676 -193.39098 5.07578 1.99811 -193.62329 465.50131
7750.0000 -198.62933 -194.08483 4.54450 2.00350 -193.52483 452.21069
FREEZING PROCESS: loop number 32 T-loop= 397.00000000000000
main_MD> interactions number 32 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67616 -0.98182 -0.72468
force_rgl> df(natom) 1.48740 -2.29503 -0.73940
7755.0000 -199.54018 -195.24400 4.29618 1.93452 -194.78421 416.07870
7760.0000 -198.60145 -194.31579 4.28566 1.91053 -195.22215 398.85829
7765.0000 -199.47999 -195.41099 4.06899 1.91456 -195.14859 400.08267
7770.0000 -199.13491 -194.78679 4.34812 1.91718 -195.10078 402.15264
7775.0000 -199.70557 -195.63901 4.06657 1.91925 -195.06298 409.25824
7780.0000 -198.73599 -194.28597 4.45003 1.92187 -195.01510 405.86611
7785.0000 -198.69776 -194.43070 4.26706 1.94120 -194.66222 423.42153
7790.0000 -199.12108 -194.48258 4.63849 1.94725 -194.55177 414.24052
7795.0000 -199.46861 -195.40739 4.06122 1.92744 -194.91340 400.09624
7800.0000 -199.54052 -195.05844 4.48208 1.89883 -195.43578 382.93303
7805.0000 -198.86494 -195.07327 3.79167 1.91069 -195.21911 393.41439
7810.0000 -199.52098 -195.54188 3.97910 1.90151 -195.38682 378.09018
7815.0000 -199.31664 -195.33037 3.98627 1.89591 -195.48902 379.65642
7820.0000 -198.88253 -194.67242 4.21011 1.92596 -194.94045 406.79267
7825.0000 -199.04983 -195.03026 4.01958 1.94057 -194.67378 412.69383
7830.0000 -199.36116 -195.42783 3.93333 1.91959 -195.05673 407.72937
7835.0000 -199.35376 -195.54400 3.80976 1.89372 -195.52891 390.23942
7840.0000 -199.49577 -195.63766 3.85811 1.91763 -195.09247 408.03073
7845.0000 -199.38561 -195.48281 3.90280 1.88969 -195.60264 381.04930
7850.0000 -199.62909 -195.24211 4.38698 1.88866 -195.62136 383.71086
7855.0000 -199.66386 -195.55994 4.10392 1.90026 -195.40967 393.27856
7860.0000 -199.55667 -195.22157 4.33510 1.89270 -195.54762 385.60809
7865.0000 -199.56271 -195.59575 3.96697 1.89873 -195.43759 397.18125
7870.0000 -199.02012 -194.85901 4.16111 1.91438 -195.15180 402.42618
7875.0000 -199.34035 -195.39507 3.94528 1.90833 -195.26231 399.75582
7880.0000 -199.34270 -195.38883 3.95387 1.90155 -195.38601 388.86306
7885.0000 -199.22652 -195.01997 4.20655 1.92715 -194.91863 418.35192
7890.0000 -199.10921 -194.97489 4.13432 1.91042 -195.22413 399.88520
7895.0000 -199.31973 -195.10359 4.21614 1.92011 -195.04729 405.51519
7900.0000 -199.59417 -195.13647 4.45770 1.90441 -195.33375 390.78109
7905.0000 -198.96358 -194.38130 4.58228 1.93096 -194.84923 412.67020
7910.0000 -199.55204 -195.42670 4.12535 1.92939 -194.87780 410.03117
7915.0000 -199.39158 -195.20729 4.18429 1.89357 -195.53181 382.53203
7920.0000 -199.25352 -194.82303 4.43050 1.90283 -195.36264 392.70220
7925.0000 -198.87444 -194.55008 4.32436 1.92732 -194.91568 406.87207
7930.0000 -199.13154 -195.33088 3.80066 1.94157 -194.65547 419.76414
7935.0000 -199.41077 -195.48495 3.92581 1.89904 -195.43193 384.83474
7940.0000 -199.57929 -195.49121 4.08809 1.88491 -195.68976 377.54462
7945.0000 -199.35137 -195.45303 3.89834 1.90601 -195.30459 391.01858
7950.0000 -199.07007 -194.93539 4.13468 1.91533 -195.13439 403.38609
7955.0000 -199.03616 -195.35743 3.67874 1.90933 -195.24393 387.74514
7960.0000 -199.32931 -195.16279 4.16653 1.93492 -194.77689 417.51460
7965.0000 -199.31614 -195.06629 4.24985 1.90791 -195.26985 395.04642
7970.0000 -199.60213 -195.69472 3.90742 1.91604 -195.12157 401.06354
7975.0000 -198.55231 -194.72606 3.82625 1.91869 -195.07317 396.55986
7980.0000 -199.55242 -195.51686 4.03555 1.90569 -195.31055 391.00479
7985.0000 -199.12135 -195.47630 3.64505 1.89460 -195.51294 385.99542
7990.0000 -199.48959 -195.47541 4.01418 1.89587 -195.48976 378.16250
7995.0000 -198.72395 -194.76815 3.95581 1.91948 -195.05880 392.55085
8000.0000 -198.69995 -194.86725 3.83270 1.93302 -194.81146 404.40371
FREEZING PROCESS: loop number 33 T-loop= 372.00000000000000
main_MD> interactions number 33 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85528 0.01009 -2.11823
force_rgl> df(natom) -0.50324 -0.48221 -1.51081
8005.0000 -199.03484 -194.51388 4.52096 1.92886 -194.88747 401.14723
8010.0000 -199.04629 -195.26054 3.78574 1.93944 -194.69438 408.64223
8015.0000 -198.65074 -195.06773 3.58301 1.90478 -195.32707 373.05206
8020.0000 -199.11306 -195.49151 3.62154 1.88971 -195.60210 363.32088
8025.0000 -199.68478 -195.69454 3.99024 1.87522 -195.86675 357.35712
8030.0000 -199.93804 -196.11802 3.82002 1.87135 -195.93745 357.36947
8035.0000 -199.47893 -196.24609 3.23284 1.84597 -196.40072 335.09603
8040.0000 -199.25418 -195.24920 4.00498 1.87828 -195.81082 366.43586
8045.0000 -199.14116 -195.80131 3.33985 1.90549 -195.31411 392.44914
8050.0000 -199.86258 -196.57483 3.28775 1.85156 -196.29856 350.34546
8055.0000 -199.69480 -196.30147 3.39333 1.84218 -196.46985 340.83334
8060.0000 -199.09327 -195.33528 3.75799 1.88611 -195.66785 378.36384
8065.0000 -198.99455 -195.51840 3.47615 1.89139 -195.57148 382.82311
8070.0000 -199.50265 -196.15048 3.35217 1.87769 -195.82165 366.86667
8075.0000 -199.70881 -195.88804 3.82077 1.85578 -196.22155 344.88916
8080.0000 -199.36536 -195.95625 3.40912 1.87324 -195.90292 362.45178
8085.0000 -198.98499 -195.73718 3.24780 1.88975 -195.60154 372.38368
8090.0000 -199.00740 -194.72518 4.28222 1.92982 -194.86991 407.03083
8095.0000 -199.34641 -195.44177 3.90463 1.92676 -194.92574 407.38410
8100.0000 -199.01347 -195.21151 3.80197 1.92434 -194.97001 402.22459
8105.0000 -198.86646 -195.04248 3.82398 1.92890 -194.88676 416.42401
8110.0000 -199.11222 -195.20454 3.90769 1.89144 -195.57064 385.14739
8115.0000 -198.74328 -195.20710 3.53618 1.92819 -194.89971 412.96425
8120.0000 -199.93852 -195.84152 4.09701 1.87786 -195.81847 368.20394
8125.0000 -200.27303 -196.58664 3.68639 1.86153 -196.11668 356.63067
8130.0000 -200.17926 -196.99016 3.18910 1.81915 -196.89030 327.13281
8135.0000 -200.04510 -196.34596 3.69913 1.82443 -196.79389 329.24170
8140.0000 -200.31781 -196.77717 3.54063 1.84457 -196.42626 343.77908
8145.0000 -199.73082 -196.34893 3.38189 1.81347 -196.99403 316.69535
8150.0000 -199.77604 -196.62689 3.14916 1.84915 -196.34271 344.03273
8155.0000 -198.76462 -195.11755 3.64707 1.88078 -195.76524 371.24310
8160.0000 -199.83542 -196.05144 3.78398 1.90097 -195.39664 389.97493
8165.0000 -199.63764 -194.82749 4.81015 1.91336 -195.17052 398.86062
8170.0000 -199.73585 -196.03178 3.70407 1.90490 -195.32492 394.71632
8175.0000 -199.39827 -195.32733 4.07094 1.88604 -195.66913 369.39722
8180.0000 -198.86502 -195.16229 3.70273 1.91211 -195.19326 395.55568
8185.0000 -199.73507 -195.93977 3.79530 1.88732 -195.64578 371.98205
8190.0000 -199.71016 -196.02536 3.68480 1.86091 -196.12794 350.70877
8195.0000 -199.88547 -196.01870 3.86678 1.86382 -196.07473 360.25172
8200.0000 -199.34987 -195.81729 3.53258 1.87939 -195.79054 363.44935
8205.0000 -199.41056 -196.09079 3.31977 1.86110 -196.12450 355.01983
8210.0000 -199.60448 -196.04222 3.56227 1.86508 -196.05177 360.79840
8215.0000 -199.84011 -196.44837 3.39174 1.86237 -196.10135 363.33542
8220.0000 -199.77136 -196.23283 3.53853 1.84802 -196.36326 348.09543
8225.0000 -200.14731 -196.66766 3.47965 1.83808 -196.54477 338.13387
8230.0000 -199.75924 -196.38788 3.37136 1.86092 -196.12785 362.88271
8235.0000 -199.57933 -195.76814 3.81119 1.86863 -195.98711 362.08387
8240.0000 -199.65668 -196.31718 3.33950 1.86373 -196.07655 354.76603
8245.0000 -199.43491 -195.68808 3.74683 1.87277 -195.91152 362.66077
8250.0000 -199.42926 -195.78863 3.64064 1.87685 -195.83687 367.68273
FREEZING PROCESS: loop number 34 T-loop= 347.00000000000000
main_MD> interactions number 34 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57856 3.85051 -3.31252
force_rgl> df(natom) 0.08195 -0.62436 1.70552
8255.0000 -199.40623 -195.69925 3.70698 1.88050 -195.77036 364.41947
8260.0000 -199.23498 -196.16656 3.06842 1.87674 -195.83902 356.76470
8265.0000 -199.46409 -196.20935 3.25473 1.86705 -196.01581 351.35916
8270.0000 -199.71122 -196.07071 3.64051 1.85689 -196.20142 352.69644
8275.0000 -200.07615 -196.73079 3.34537 1.84905 -196.34441 348.82630
8280.0000 -199.51250 -195.88006 3.63244 1.85908 -196.16128 356.94194
8285.0000 -199.50725 -196.38631 3.12094 1.87082 -195.94701 361.83311
8290.0000 -199.95289 -195.90241 4.05048 1.86131 -196.12069 355.09364
8295.0000 -200.17213 -196.41347 3.75866 1.85076 -196.31327 346.57313
8300.0000 -199.77299 -195.94975 3.82325 1.83673 -196.56930 336.13140
8305.0000 -200.26640 -196.82515 3.44125 1.83094 -196.67506 333.74270
8310.0000 -199.78344 -196.68123 3.10221 1.83567 -196.58877 337.85640
8315.0000 -200.02324 -196.57101 3.45223 1.85026 -196.32245 345.42473
8320.0000 -199.83726 -196.45538 3.38187 1.83926 -196.52312 337.73406
8325.0000 -199.77184 -196.76892 3.00293 1.85126 -196.30418 350.19966
8330.0000 -200.16635 -196.83762 3.32873 1.85029 -196.32184 347.54637
8335.0000 -199.49077 -195.68669 3.80409 1.84487 -196.42072 342.26662
8340.0000 -200.33685 -196.80277 3.53408 1.85172 -196.29578 342.57691
8345.0000 -200.27514 -196.63401 3.64113 1.81972 -196.87992 322.79588
8350.0000 -200.40765 -197.23117 3.17649 1.83295 -196.63839 335.36995
8355.0000 -200.17210 -196.83350 3.33860 1.81207 -197.01957 319.96212
8360.0000 -199.72098 -195.18686 4.53412 1.86120 -196.12274 357.34034
8365.0000 -199.94117 -196.00693 3.93423 1.87782 -195.81920 369.31090
8370.0000 -199.38846 -195.55162 3.83684 1.89276 -195.54659 381.56785
8375.0000 -199.92523 -195.88258 4.04265 1.87998 -195.77987 370.73415
8380.0000 -199.20727 -195.64210 3.56517 1.87222 -195.92156 365.97032
8385.0000 -200.06324 -196.80301 3.26023 1.82847 -196.72018 324.31179
8390.0000 -200.15263 -196.72936 3.42327 1.81231 -197.01518 314.87790
8395.0000 -199.30189 -195.83455 3.46733 1.83785 -196.54893 332.67521
8400.0000 -199.67118 -196.52549 3.14568 1.86836 -195.99201 357.54394
8405.0000 -199.55934 -196.09843 3.46090 1.84324 -196.45048 339.97665
8410.0000 -199.92558 -196.08098 3.84461 1.85140 -196.30155 349.01606
8415.0000 -199.88625 -195.95175 3.93450 1.88329 -195.71945 373.36094
8420.0000 -199.81880 -196.32730 3.49150 1.86103 -196.12567 351.43852
8425.0000 -199.55997 -196.44492 3.11505 1.84889 -196.34745 337.14488
8430.0000 -200.42086 -196.75538 3.66549 1.83640 -196.57536 334.67050
8435.0000 -200.08143 -196.45576 3.62566 1.83551 -196.59161 330.24611
8440.0000 -199.44715 -195.92357 3.52358 1.86412 -196.06939 354.71003
8445.0000 -199.89883 -196.18219 3.71664 1.84250 -196.46399 330.14529
8450.0000 -199.37703 -195.81399 3.56304 1.85568 -196.22349 336.66249
8455.0000 -200.07085 -196.59058 3.48027 1.86242 -196.10039 352.86591
8460.0000 -199.67114 -196.35231 3.31883 1.84286 -196.45742 339.16499
8465.0000 -200.32605 -196.74059 3.58546 1.83656 -196.57246 340.68446
8470.0000 -199.93642 -196.95445 2.98197 1.81427 -196.97932 324.18264
8475.0000 -200.03962 -196.39268 3.64694 1.83493 -196.60216 343.75709
8480.0000 -199.70162 -196.11845 3.58317 1.84440 -196.42932 347.98705
8485.0000 -200.20889 -196.58865 3.62024 1.86649 -196.02611 364.99284
8490.0000 -200.13851 -196.19308 3.94543 1.85150 -196.29975 356.37968
8495.0000 -199.66762 -196.00751 3.66011 1.86618 -196.03167 370.16017
8500.0000 -199.72282 -196.18500 3.53783 1.87157 -195.93326 376.31150
FREEZING PROCESS: loop number 35 T-loop= 322.00000000000000
main_MD> interactions number 35 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.01957 1.64552 3.85287
force_rgl> df(natom) -2.12162 -4.11915 -0.79300
8505.0000 -200.17308 -197.11494 3.05814 1.84093 -196.49266 340.38935
8510.0000 -200.30046 -197.09340 3.20707 1.80140 -197.21438 316.79398
8515.0000 -200.45660 -197.23302 3.22358 1.80929 -197.07026 324.00633
8520.0000 -200.78536 -197.55164 3.23372 1.78950 -197.43157 298.40285
8525.0000 -200.36374 -197.73608 2.62766 1.78889 -197.44268 305.23401
8530.0000 -200.25304 -197.35274 2.90030 1.78386 -197.53459 300.56720
8535.0000 -200.16113 -197.00954 3.15160 1.80041 -197.23242 311.89088
8540.0000 -200.27413 -196.99270 3.28143 1.81497 -196.96665 322.45003
8545.0000 -200.57310 -197.18520 3.38790 1.81440 -196.97694 321.26207
8550.0000 -200.08636 -197.30149 2.78487 1.80584 -197.13324 317.55897
8555.0000 -200.83822 -197.42868 3.40953 1.77806 -197.64050 295.99819
8560.0000 -200.21677 -197.52777 2.68900 1.77659 -197.66721 293.70614
8565.0000 -200.65795 -197.32112 3.33683 1.79302 -197.36738 305.42074
8570.0000 -200.44921 -197.37456 3.07465 1.78550 -197.50467 303.41755
8575.0000 -200.72078 -197.90373 2.81705 1.79305 -197.36669 306.67602
8580.0000 -200.07605 -196.72761 3.34844 1.80594 -197.13137 311.60401
8585.0000 -200.60736 -197.35747 3.24989 1.80803 -197.09330 313.10456
8590.0000 -200.17446 -197.14034 3.03412 1.80705 -197.11121 312.95044
8595.0000 -200.76432 -197.11443 3.64989 1.80184 -197.20626 311.76870
8600.0000 -200.52023 -197.31436 3.20587 1.79497 -197.33176 307.43536
8605.0000 -200.27137 -196.80098 3.47038 1.81972 -196.87987 328.74840
8610.0000 -199.98352 -196.81976 3.16376 1.83236 -196.64919 338.33330
8615.0000 -200.05239 -196.79875 3.25364 1.83382 -196.62257 344.08111
8620.0000 -200.38685 -197.57704 2.80981 1.80448 -197.15804 315.15064
8625.0000 -200.61745 -197.61391 3.00354 1.77925 -197.61877 291.57994
8630.0000 -200.53313 -197.60284 2.93029 1.79073 -197.40909 298.27003
8635.0000 -200.52332 -197.68268 2.84064 1.76131 -197.94621 273.98393
8640.0000 -199.66476 -196.92344 2.74132 1.80093 -197.22284 311.85762
8645.0000 -200.54314 -197.36637 3.17677 1.78995 -197.42343 303.10061
8650.0000 -200.30077 -197.54630 2.75447 1.79341 -197.36013 303.77411
8655.0000 -199.74553 -196.09377 3.65176 1.82303 -196.81948 332.76069
8660.0000 -200.35176 -197.13645 3.21532 1.82052 -196.86532 326.38162
8665.0000 -200.25377 -197.29016 2.96361 1.80227 -197.19851 312.71070
8670.0000 -200.51989 -196.96674 3.55315 1.80934 -197.06932 317.53296
8675.0000 -199.92153 -196.08689 3.83464 1.85132 -196.30303 352.81827
8680.0000 -200.55893 -197.05414 3.50479 1.82990 -196.69409 338.42974
8685.0000 -200.18333 -197.14074 3.04259 1.79800 -197.27634 310.44178
8690.0000 -200.33914 -197.74402 2.59512 1.81398 -196.98473 318.21874
8695.0000 -200.50808 -197.12900 3.37908 1.78028 -197.59986 292.98874
8700.0000 -200.28242 -196.86782 3.41460 1.79579 -197.31679 302.24100
8705.0000 -199.87438 -196.82179 3.05258 1.82737 -196.74029 333.01144
8710.0000 -199.92712 -196.68413 3.24299 1.82915 -196.70781 332.52720
8715.0000 -199.47138 -196.18106 3.29032 1.84686 -196.38450 345.27674
8720.0000 -200.15734 -197.18840 2.96894 1.82755 -196.73688 334.33110
8725.0000 -200.26127 -196.67873 3.58254 1.80205 -197.20252 308.49745
8730.0000 -200.34508 -197.17568 3.16940 1.82162 -196.84528 326.67255
8735.0000 -200.75432 -197.32634 3.42798 1.79381 -197.35292 301.42293
8740.0000 -199.88799 -196.49512 3.39286 1.82152 -196.84696 323.62574
8745.0000 -200.31258 -196.74239 3.57019 1.85505 -196.23493 352.45529
8750.0000 -199.98072 -196.99511 2.98562 1.81476 -196.97047 318.84549
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 28.5118429 [s].
main_MD> Deallocating global variables
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