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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_52/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_52.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 = 52 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: 52 5200
main_MD> Size of nv and nvoiz: 52 5200
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 = 52
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> -1.1614920536167972E-002 -0.13466616550870961 -0.12119873146344090 initial drift of cluster / NP1 for coalescence
init> 0.36917902247406176 0.35933513316274290 0.32666721903150892 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7099219820287007E-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) -2.19070 -0.96593 0.41669
force_rgl> df(natom) 1.12791 0.90180 2.56111
preparo> THERMALIZATION PROCESS AT 1200.4521092963757
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -110.50295539412102 9.5650308255912417 -120.06798621971225 6.6224930459850664E-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= 1169.0000000000000
main_MD> interactions number 1 at Temperature= 1169.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75573 -0.89265 -1.83040
force_rgl> df(natom) 1.24351 -0.83098 3.12842
5.0000 -121.61878 -115.13750 6.48127 2.89990 -112.99971 1114.52864
10.0000 -120.78527 -112.64548 8.13979 2.90684 -112.90296 1179.77243
15.0000 -121.57123 -112.11024 9.46099 2.89885 -113.01425 1199.80908
20.0000 -120.32955 -113.87970 6.44985 2.88126 -113.25930 1174.64472
25.0000 -120.71755 -113.70142 7.01613 2.84166 -113.81108 1109.39066
30.0000 -122.45543 -115.37832 7.07711 2.81821 -114.13778 1123.20929
35.0000 -120.94142 -114.52844 6.41299 2.78184 -114.64440 1074.94623
40.0000 -120.72065 -114.06835 6.65229 2.78451 -114.60724 1107.60274
45.0000 -121.70201 -112.15666 9.54535 2.87889 -113.29236 1131.51497
50.0000 -120.99754 -111.80848 9.18907 2.96645 -112.07249 1200.21330
55.0000 -120.71379 -113.40201 7.31178 2.93637 -112.49157 1175.09660
60.0000 -120.97519 -112.70290 8.27229 2.80010 -114.39002 1099.39034
65.0000 -118.75262 -110.14591 8.60671 3.04385 -110.99412 1277.11600
70.0000 -121.99996 -114.11405 7.88591 2.88061 -113.26834 1143.25264
75.0000 -122.51292 -115.29562 7.21731 2.80984 -114.25426 1089.51679
80.0000 -120.78575 -114.22550 6.56026 2.77952 -114.67674 1040.69641
85.0000 -120.45440 -114.47466 5.97974 2.89275 -113.09921 1164.86830
90.0000 -122.19196 -113.98524 8.20672 2.89915 -113.01002 1171.53782
95.0000 -121.95343 -114.21442 7.73901 2.86634 -113.46724 1141.69320
100.0000 -120.85476 -113.85308 7.00168 2.81049 -114.24531 1142.35915
105.0000 -119.67487 -113.32770 6.34717 2.85902 -113.56911 1134.05810
110.0000 -120.63008 -112.52337 8.10672 2.90172 -112.97433 1166.84985
115.0000 -120.71632 -113.61284 7.10347 2.87075 -113.40570 1119.56028
120.0000 -121.62192 -112.33517 9.28675 2.87173 -113.39211 1145.17467
125.0000 -119.20950 -110.86088 8.34862 2.95801 -112.19001 1209.90133
130.0000 -121.28190 -112.28162 9.00029 2.99368 -111.69314 1246.46208
135.0000 -121.91971 -114.85482 7.06489 2.80025 -114.38788 1116.08754
140.0000 -119.47236 -112.50493 6.96744 2.85067 -113.68550 1141.33938
145.0000 -119.77275 -111.53515 8.23760 3.08492 -110.42195 1288.22257
150.0000 -121.50350 -114.00372 7.49977 2.89796 -113.02660 1194.32724
155.0000 -121.31879 -113.18151 8.13728 2.86098 -113.54189 1160.19507
160.0000 -119.38120 -110.87137 8.50983 3.01403 -111.40961 1235.10612
165.0000 -118.78070 -109.89733 8.88337 3.05626 -110.82129 1271.31768
170.0000 -120.88391 -113.23106 7.65285 2.98060 -111.87536 1227.05164
175.0000 -120.72028 -113.65963 7.06065 2.86487 -113.48764 1116.91541
180.0000 -122.42142 -113.67512 8.74630 2.88057 -113.26891 1159.94018
185.0000 -119.98799 -112.34184 7.64616 2.94464 -112.37639 1215.00406
190.0000 -121.07472 -113.75387 7.32085 2.85537 -113.62000 1126.01434
195.0000 -119.53808 -110.64347 8.89461 2.86844 -113.43787 1145.84507
200.0000 -119.98201 -110.31222 9.66979 3.09377 -110.29877 1314.81558
205.0000 -122.66621 -113.55811 9.10811 2.99119 -111.72780 1254.40580
210.0000 -121.84547 -115.83391 6.01156 2.79860 -114.41085 1097.69539
215.0000 -120.37446 -111.95687 8.41759 2.88245 -113.24272 1150.05525
220.0000 -118.94230 -110.45869 8.48361 3.02786 -111.21689 1253.78429
225.0000 -119.59254 -110.82428 8.76826 3.05168 -110.88513 1272.78677
230.0000 -119.34588 -112.47722 6.86865 2.99091 -111.73178 1253.62422
235.0000 -122.52961 -113.34250 9.18711 2.86950 -113.42315 1114.56019
240.0000 -122.71638 -112.94073 9.77565 2.85877 -113.57263 1121.19277
245.0000 -121.37680 -113.28845 8.08835 2.94658 -112.34936 1204.37855
250.0000 -121.73523 -112.07576 9.65947 2.92135 -112.70076 1136.34354
FREEZING PROCESS: loop number 2 T-loop= 1144.0000000000000
main_MD> interactions number 2 at Temperature= 1144.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.82959 3.65115 4.12060
force_rgl> df(natom) -5.09223 8.65898 2.54930
255.0000 -121.88191 -113.33103 8.55089 2.95849 -112.18337 1216.11675
260.0000 -121.02846 -113.13009 7.89836 2.94121 -112.42412 1158.60843
265.0000 -120.54583 -113.83340 6.71243 2.88987 -113.13937 1165.19325
270.0000 -122.45100 -114.21245 8.23855 2.75336 -115.04117 1058.01190
275.0000 -122.12788 -114.30910 7.81878 2.80888 -114.26773 1112.12908
280.0000 -121.86999 -112.85750 9.01249 2.82755 -114.00765 1144.95716
285.0000 -120.42920 -112.24215 8.18705 2.90308 -112.95536 1170.58848
290.0000 -119.45994 -111.54350 7.91644 2.98913 -111.75650 1250.67258
295.0000 -122.33598 -113.61142 8.72456 2.94009 -112.43973 1208.92912
300.0000 -121.78339 -114.73725 7.04614 2.87394 -113.36125 1194.56144
305.0000 -118.93982 -112.30755 6.63227 2.85941 -113.56371 1104.84604
310.0000 -121.61335 -114.64674 6.96660 2.87140 -113.39670 1120.90691
315.0000 -119.33491 -112.09289 7.24202 2.80462 -114.32709 1085.01465
320.0000 -120.30421 -112.44595 7.85826 2.98734 -111.78139 1248.81222
325.0000 -120.97417 -113.27970 7.69448 2.87178 -113.39142 1128.90969
330.0000 -121.09844 -113.44450 7.65393 2.86072 -113.54547 1134.17718
335.0000 -121.28335 -114.72539 6.55796 2.79425 -114.47151 1111.89920
340.0000 -120.89581 -113.57955 7.31626 2.84124 -113.81684 1141.22564
345.0000 -120.01108 -112.44317 7.56791 2.83706 -113.87507 1155.87076
350.0000 -120.63505 -112.27312 8.36193 2.99398 -111.68891 1234.41071
355.0000 -122.56081 -115.48903 7.07178 2.80460 -114.32733 1114.44805
360.0000 -121.48890 -113.43402 8.05488 2.81325 -114.20681 1116.08553
365.0000 -120.07305 -113.85918 6.21387 2.79585 -114.44919 1079.78941
370.0000 -122.66066 -113.98610 8.67456 2.79415 -114.47289 1096.34056
375.0000 -120.59419 -114.54165 6.05254 2.75783 -114.97893 1061.44946
380.0000 -120.81553 -113.35569 7.45985 2.90350 -112.94943 1168.60150
385.0000 -122.13733 -114.29513 7.84220 2.81727 -114.15076 1123.59019
390.0000 -122.37079 -114.04835 8.32244 2.75451 -115.02511 1073.25687
395.0000 -121.31552 -114.05071 7.26481 2.84212 -113.80459 1125.84579
400.0000 -120.22136 -112.93077 7.29059 2.88340 -113.22945 1166.35484
405.0000 -121.48710 -114.05292 7.43418 2.85550 -113.61814 1129.82375
410.0000 -122.48597 -114.94354 7.54243 2.82159 -114.09065 1125.86479
415.0000 -120.69501 -112.52789 8.16712 2.78707 -114.57160 1104.93255
420.0000 -121.91584 -113.61256 8.30328 2.88208 -113.24796 1137.67791
425.0000 -120.99410 -113.90442 7.08969 2.80257 -114.35556 1095.83979
430.0000 -120.89728 -111.97325 8.92403 2.86155 -113.53388 1176.06133
435.0000 -119.37999 -111.12114 8.25884 2.93432 -112.52008 1219.77539
440.0000 -119.92964 -111.79278 8.13686 2.98754 -111.77870 1239.38215
445.0000 -120.83144 -113.62128 7.21015 2.91644 -112.76916 1146.01722
450.0000 -122.38786 -114.61665 7.77121 2.84320 -113.78952 1092.82513
455.0000 -119.75568 -112.68807 7.06761 2.81926 -114.12303 1136.78111
460.0000 -119.81842 -112.08835 7.73007 2.97173 -111.99895 1200.08483
465.0000 -120.12070 -112.41280 7.70790 2.97201 -111.99507 1234.05591
470.0000 -119.29072 -111.35300 7.93772 2.92104 -112.70511 1211.12961
475.0000 -122.48763 -114.91870 7.56893 2.85217 -113.66460 1130.12159
480.0000 -121.04030 -112.71069 8.32961 2.78861 -114.55016 1132.75292
485.0000 -121.14815 -113.19119 7.95696 2.85951 -113.56236 1156.75065
490.0000 -119.85563 -112.26415 7.59148 2.92662 -112.62736 1196.17599
495.0000 -122.05178 -113.39285 8.65893 2.89635 -113.04907 1162.75225
500.0000 -120.56375 -112.40338 8.16037 2.89616 -113.05173 1213.50564
FREEZING PROCESS: loop number 3 T-loop= 1119.0000000000000
main_MD> interactions number 3 at Temperature= 1119.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91856 -0.27561 -1.07220
force_rgl> df(natom) 2.73247 1.31716 -1.32565
505.0000 -120.46696 -112.70443 7.76253 2.92590 -112.63738 1186.84652
510.0000 -120.71500 -114.00243 6.71257 2.79936 -114.40032 1091.13066
515.0000 -120.81122 -113.61520 7.19602 2.82044 -114.10659 1100.14629
520.0000 -120.34520 -113.40642 6.93878 2.89449 -113.07505 1148.08346
525.0000 -121.07960 -114.81209 6.26751 2.85497 -113.62561 1153.86790
530.0000 -122.60552 -114.72484 7.88068 2.78429 -114.61029 1060.43180
535.0000 -122.76067 -116.13767 6.62300 2.72003 -115.50551 1021.02588
540.0000 -122.66951 -114.71311 7.95639 2.78979 -114.53365 1112.24564
545.0000 -121.45420 -115.21399 6.24021 2.79690 -114.43459 1081.64229
550.0000 -122.11913 -115.27340 6.84573 2.70161 -115.76219 998.92699
555.0000 -121.42298 -112.19029 9.23269 2.81528 -114.17849 1134.38870
560.0000 -120.24850 -112.82498 7.42352 2.90996 -112.85948 1170.48972
565.0000 -120.54217 -113.40681 7.13536 2.90447 -112.93593 1165.90917
570.0000 -122.17956 -114.50424 7.67532 2.80003 -114.39099 1069.76248
575.0000 -121.24726 -113.91806 7.32920 2.83802 -113.86172 1121.23539
580.0000 -120.51688 -113.80634 6.71054 2.88996 -113.13806 1153.03913
585.0000 -121.49472 -114.06649 7.42823 2.85145 -113.67463 1061.32799
590.0000 -121.24205 -113.12209 8.11996 2.88930 -113.14725 1151.04325
595.0000 -122.35233 -113.59406 8.75827 2.84847 -113.71613 1123.28574
600.0000 -121.04480 -114.15082 6.89398 2.91189 -112.83261 1199.84580
605.0000 -123.28216 -115.20544 8.07672 2.75868 -114.96713 1068.35705
610.0000 -119.79542 -113.15031 6.64512 2.85428 -113.63522 1129.81783
615.0000 -118.71535 -110.22914 8.48620 2.97216 -111.99293 1231.34954
620.0000 -119.96697 -110.41628 9.55069 3.10590 -110.12974 1293.77438
625.0000 -121.04386 -113.18207 7.86179 3.00254 -111.56974 1225.35250
630.0000 -122.45180 -114.68602 7.76578 2.84750 -113.72972 1114.79674
635.0000 -120.75743 -112.82487 7.93256 2.80677 -114.29716 1102.21432
640.0000 -120.62038 -112.92433 7.69604 2.88237 -113.24383 1169.30679
645.0000 -119.70005 -112.42407 7.27598 2.96279 -112.12354 1212.57353
650.0000 -121.38583 -111.63379 9.75204 2.93814 -112.46684 1191.39705
655.0000 -121.60973 -114.31684 7.29289 2.90827 -112.88299 1185.47045
660.0000 -123.19069 -115.49575 7.69493 2.76426 -114.88927 1036.70978
665.0000 -122.81049 -114.36265 8.44784 2.80063 -114.38268 1154.45958
670.0000 -121.56324 -113.78149 7.78176 2.81942 -114.12089 1128.43779
675.0000 -121.15912 -112.79382 8.36530 2.90152 -112.97709 1157.37226
680.0000 -120.46478 -113.44883 7.01596 2.90614 -112.91270 1193.32123
685.0000 -121.47412 -114.81817 6.65595 2.85878 -113.57248 1149.00032
690.0000 -121.78845 -114.64289 7.14556 2.79122 -114.51374 1058.85066
695.0000 -121.50042 -114.23009 7.27034 2.77688 -114.71357 1060.06391
700.0000 -120.69135 -112.67312 8.01823 2.88491 -113.20845 1175.08895
705.0000 -122.94931 -115.76549 7.18382 2.82648 -114.02252 1102.62086
710.0000 -123.58257 -116.27907 7.30351 2.72628 -115.41845 1050.22650
715.0000 -122.19939 -115.08986 7.10953 2.73376 -115.31424 1045.03230
720.0000 -121.26179 -113.41964 7.84216 2.84705 -113.73593 1106.16507
725.0000 -120.15038 -112.80047 7.34991 2.90293 -112.95746 1183.86310
730.0000 -120.05596 -111.93759 8.11838 2.90302 -112.95611 1159.29502
735.0000 -120.08588 -111.37396 8.71192 2.95232 -112.26938 1211.94880
740.0000 -120.81582 -112.39852 8.41730 3.02087 -111.31433 1244.91989
745.0000 -122.52059 -113.82161 8.69898 2.86877 -113.43329 1168.65472
750.0000 -123.11940 -116.51119 6.60822 2.72303 -115.46380 1063.29589
FREEZING PROCESS: loop number 4 T-loop= 1094.0000000000000
main_MD> interactions number 4 at Temperature= 1094.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74788 -1.51647 -2.86103
force_rgl> df(natom) -0.20708 -1.91235 -1.36228
755.0000 -123.13666 -116.57021 6.56645 2.60151 -117.15666 944.21004
760.0000 -122.92411 -115.54456 7.37956 2.69694 -115.82717 989.23576
765.0000 -123.04226 -116.84128 6.20098 2.69397 -115.86865 1025.15761
770.0000 -122.03498 -115.15395 6.88103 2.71480 -115.57838 1029.70308
775.0000 -120.69328 -114.18693 6.50634 2.80379 -114.33865 1087.51040
780.0000 -123.87816 -116.05970 7.81847 2.76763 -114.84236 1037.59397
785.0000 -122.67588 -115.86099 6.81489 2.69218 -115.89357 1029.79604
790.0000 -121.83917 -114.72897 7.11020 2.78650 -114.57955 1154.50732
795.0000 -123.92470 -117.49594 6.42876 2.72137 -115.48683 1044.87269
800.0000 -123.19548 -115.82838 7.36710 2.60539 -117.10268 962.92912
805.0000 -121.54925 -115.33890 6.21035 2.72932 -115.37610 1047.46312
810.0000 -119.92519 -113.53942 6.38577 2.80913 -114.26428 1102.81379
815.0000 -122.02712 -114.47411 7.55301 2.77431 -114.74924 1087.51113
820.0000 -123.56696 -116.14017 7.42678 2.65762 -116.37500 1025.52283
825.0000 -122.22234 -115.70460 6.51774 2.75347 -115.03966 1030.64333
830.0000 -120.87120 -114.71338 6.15783 2.74073 -115.21715 1065.52352
835.0000 -121.59028 -113.64787 7.94241 2.86990 -113.41757 1161.21874
840.0000 -122.60207 -114.49804 8.10403 2.78933 -114.54013 1094.33436
845.0000 -122.34320 -116.34368 5.99952 2.69489 -115.85576 1037.22532
850.0000 -122.46187 -115.17169 7.29018 2.66397 -116.28648 1010.58319
855.0000 -119.80928 -110.80172 9.00756 2.92666 -112.62686 1185.61107
860.0000 -121.32094 -112.29932 9.02162 2.93876 -112.45827 1213.86567
865.0000 -121.49422 -114.18075 7.31347 2.94757 -112.33546 1182.94483
870.0000 -120.50210 -112.37215 8.12996 2.87532 -113.34202 1132.89182
875.0000 -121.79299 -114.56256 7.23042 2.89856 -113.01833 1191.32237
880.0000 -120.87122 -113.86427 7.00695 2.79401 -114.47485 1111.27324
885.0000 -121.29658 -113.16757 8.12901 2.86885 -113.43222 1167.20607
890.0000 -122.53019 -114.64123 7.88896 2.88175 -113.25252 1171.80268
895.0000 -122.83607 -115.31628 7.51979 2.80540 -114.31613 1092.05158
900.0000 -121.63706 -115.08103 6.55604 2.74088 -115.21508 1051.94267
905.0000 -123.06015 -114.75008 8.31006 2.72207 -115.47704 1027.42252
910.0000 -122.61019 -115.67587 6.93432 2.76325 -114.90336 1089.32045
915.0000 -124.05311 -117.40241 6.65069 2.59917 -117.18935 961.52472
920.0000 -123.19359 -117.24650 5.94708 2.59533 -117.24274 950.76294
925.0000 -122.44232 -116.13072 6.31160 2.65501 -116.41142 1003.99203
930.0000 -121.94007 -114.97558 6.96449 2.78997 -114.53121 1053.97909
935.0000 -122.18359 -115.15951 7.02407 2.72545 -115.42995 1029.30437
940.0000 -121.13991 -114.41300 6.72690 2.77816 -114.69561 1111.77642
945.0000 -123.13184 -114.94319 8.18865 2.76582 -114.86760 1094.52417
950.0000 -122.27723 -114.51179 7.76544 2.77628 -114.72181 1076.17805
955.0000 -122.73736 -114.23608 8.50128 2.75914 -114.96072 1120.98199
960.0000 -121.36691 -111.40265 9.96426 2.94708 -112.34229 1197.79846
965.0000 -121.58537 -114.47787 7.10750 2.88936 -113.14643 1163.23685
970.0000 -121.26687 -115.00145 6.26541 2.81584 -114.17076 1097.06349
975.0000 -123.17312 -116.43082 6.74230 2.71687 -115.54949 1057.01446
980.0000 -121.89324 -114.90452 6.98872 2.73807 -115.25424 1040.10467
985.0000 -123.67678 -116.40490 7.27187 2.70852 -115.66584 1039.58177
990.0000 -123.15429 -116.85545 6.29884 2.65514 -116.40956 1010.37661
995.0000 -122.81212 -116.35974 6.45237 2.62249 -116.86444 969.23390
1000.0000 -122.71952 -116.62955 6.08996 2.63678 -116.66532 1003.79010
FREEZING PROCESS: loop number 5 T-loop= 1069.0000000000000
main_MD> interactions number 5 at Temperature= 1069.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.84153 4.66405 4.80880
force_rgl> df(natom) 1.33965 -1.08481 -1.80066
1005.0000 -121.91980 -115.44779 6.47202 2.69656 -115.83243 1043.36364
1010.0000 -120.91137 -113.45287 7.45850 2.81812 -114.13902 1157.17224
1015.0000 -122.30697 -114.45556 7.85142 2.80185 -114.36568 1120.52441
1020.0000 -122.69027 -114.53655 8.15371 2.81411 -114.19482 1143.48502
1025.0000 -121.87297 -114.87153 7.00144 2.81623 -114.16524 1091.82553
1030.0000 -122.25009 -115.38242 6.86767 2.79974 -114.39498 1094.95658
1035.0000 -122.66836 -115.96712 6.70124 2.76204 -114.92030 1088.79671
1040.0000 -122.31471 -115.18792 7.12679 2.73425 -115.30737 1052.55803
1045.0000 -121.60338 -113.82197 7.78141 2.90449 -112.93573 1184.64468
1050.0000 -123.69228 -115.20600 8.48628 2.76971 -114.81337 1094.15813
1055.0000 -124.34022 -115.77385 8.56637 2.70739 -115.68162 1020.75137
1060.0000 -122.15842 -116.09981 6.05860 2.60720 -117.07743 974.46297
1065.0000 -121.36844 -114.43369 6.93474 2.74304 -115.18497 1016.11460
1070.0000 -122.35438 -114.45378 7.90060 2.76109 -114.93352 1049.84782
1075.0000 -120.49565 -112.20986 8.28579 2.86274 -113.51741 1145.30137
1080.0000 -121.65070 -114.17306 7.47763 2.92330 -112.67366 1174.84254
1085.0000 -121.00560 -113.25935 7.74625 2.83436 -113.91278 1140.38623
1090.0000 -120.81658 -113.85507 6.96152 2.93388 -112.52619 1207.59747
1095.0000 -122.98605 -115.81509 7.17096 2.72549 -115.42947 1025.68513
1100.0000 -122.14043 -115.34232 6.79812 2.76414 -114.89101 1094.72850
1105.0000 -122.67181 -116.75971 5.91210 2.73629 -115.27900 1035.88173
1110.0000 -123.32423 -116.26164 7.06259 2.67601 -116.11878 975.15134
1115.0000 -123.82037 -117.49426 6.32611 2.68475 -115.99698 1023.80465
1120.0000 -121.51265 -116.15137 5.36129 2.65252 -116.44603 987.35428
1125.0000 -123.37336 -116.83334 6.54002 2.67714 -116.10305 1028.77593
1130.0000 -123.48425 -116.35516 7.12908 2.68285 -116.02348 997.96191
1135.0000 -123.37469 -116.58257 6.79212 2.68289 -116.02293 1007.69679
1140.0000 -121.49041 -115.13354 6.35687 2.66310 -116.29861 985.43983
1145.0000 -121.09005 -114.13565 6.95440 2.76654 -114.85756 1082.30053
1150.0000 -121.26469 -115.09393 6.17076 2.77264 -114.77265 1096.91701
1155.0000 -122.47514 -114.33509 8.14005 2.81376 -114.19971 1101.21937
1160.0000 -121.44848 -113.66250 7.78598 2.83056 -113.96571 1100.72305
1165.0000 -121.74503 -114.05872 7.68631 2.82771 -114.00543 1114.35078
1170.0000 -122.08562 -114.91266 7.17296 2.75631 -115.00003 1092.06175
1175.0000 -121.80717 -114.74753 7.05965 2.77482 -114.74221 1052.35102
1180.0000 -119.74333 -113.33828 6.40505 2.85620 -113.60849 1139.29707
1185.0000 -122.89571 -116.14494 6.75077 2.74906 -115.10115 1066.52361
1190.0000 -123.39424 -117.82599 5.56825 2.61177 -117.01377 934.19936
1195.0000 -123.99165 -116.36840 7.62324 2.60503 -117.10768 935.88656
1200.0000 -124.01674 -116.97404 7.04270 2.60400 -117.12198 949.88011
1205.0000 -122.70658 -115.91690 6.78967 2.64475 -116.55431 996.00582
1210.0000 -122.33518 -116.21352 6.12167 2.69072 -115.91384 971.59180
1215.0000 -121.15870 -113.99563 7.16307 2.72628 -115.41852 1057.83696
1220.0000 -121.97291 -114.66307 7.30985 2.78562 -114.59169 1095.71460
1225.0000 -123.23572 -115.43962 7.79610 2.76954 -114.81575 1055.65702
1230.0000 -123.54213 -117.00918 6.53295 2.64407 -116.56380 994.95694
1235.0000 -122.99186 -115.37882 7.61304 2.72764 -115.39944 1054.59838
1240.0000 -123.20371 -116.40114 6.80257 2.72355 -115.45646 1022.39912
1245.0000 -120.07328 -113.25569 6.81759 2.78477 -114.60356 1040.49601
1250.0000 -121.23214 -113.67552 7.55662 2.90197 -112.97078 1114.85841
FREEZING PROCESS: loop number 6 T-loop= 1044.0000000000000
main_MD> interactions number 6 at Temperature= 1044.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85495 1.98345 -1.11232
force_rgl> df(natom) 0.26369 0.10390 -2.39538
1255.0000 -121.81856 -114.04167 7.77689 2.85602 -113.61101 1107.28530
1260.0000 -122.10161 -114.96701 7.13459 2.76217 -114.91845 1053.35763
1265.0000 -121.86967 -113.86636 8.00330 2.82056 -114.10498 1094.41888
1270.0000 -121.43929 -114.20731 7.23197 2.78578 -114.58948 1059.31231
1275.0000 -123.69600 -117.20859 6.48741 2.70378 -115.73195 1030.94375
1280.0000 -123.69595 -116.67863 7.01732 2.66036 -116.33677 1008.98273
1285.0000 -121.01005 -114.12574 6.88431 2.74448 -115.16486 1008.73606
1290.0000 -122.50451 -115.33880 7.16571 2.78636 -114.58137 1059.41869
1295.0000 -120.73789 -114.27038 6.46751 2.76955 -114.81560 1052.48628
1300.0000 -123.29667 -115.26262 8.03405 2.74667 -115.13440 1071.79049
1305.0000 -122.16951 -115.61185 6.55766 2.64897 -116.49555 977.13990
1310.0000 -121.92584 -115.29616 6.62968 2.74571 -115.14781 1034.46856
1315.0000 -122.09803 -115.62336 6.47467 2.71864 -115.52495 1030.81429
1320.0000 -122.88026 -116.50944 6.37083 2.67811 -116.08948 1016.74793
1325.0000 -122.48746 -116.75907 5.72839 2.65987 -116.34370 989.66081
1330.0000 -123.93082 -118.38081 5.55001 2.58090 -117.44386 901.92725
1335.0000 -123.77859 -118.30995 5.46864 2.53124 -118.13567 893.19158
1340.0000 -123.58691 -117.00451 6.58240 2.59512 -117.24573 931.92215
1345.0000 -124.59234 -117.56256 7.02978 2.61649 -116.94800 975.85476
1350.0000 -122.50995 -115.89516 6.61479 2.64980 -116.48397 1002.60894
1355.0000 -121.02556 -114.22953 6.79603 2.77433 -114.74897 1079.52651
1360.0000 -122.80423 -114.75494 8.04929 2.82190 -114.08631 1113.40984
1365.0000 -121.85908 -114.82980 7.02927 2.76761 -114.84266 1100.22049
1370.0000 -122.32334 -116.78393 5.53941 2.67795 -116.09170 1007.46975
1375.0000 -123.82114 -116.68659 7.13456 2.67505 -116.13218 997.89343
1380.0000 -123.06746 -116.25166 6.81580 2.67392 -116.14796 1007.78460
1385.0000 -122.65332 -115.90005 6.75327 2.71039 -115.63988 1048.26841
1390.0000 -123.34578 -116.28617 7.05961 2.66172 -116.31792 1001.43077
1395.0000 -124.11182 -116.97159 7.14023 2.63825 -116.64485 952.56351
1400.0000 -122.43122 -115.62278 6.80844 2.70085 -115.77269 1040.91576
1405.0000 -124.73812 -116.46646 8.27166 2.69216 -115.89383 1057.75448
1410.0000 -122.48060 -116.25213 6.22846 2.67128 -116.18466 1013.83892
1415.0000 -121.33327 -114.75186 6.58141 2.71173 -115.62114 1009.07556
1420.0000 -123.65074 -117.06906 6.58167 2.70508 -115.71383 980.05267
1425.0000 -122.06601 -116.72858 5.33743 2.65962 -116.34708 993.26302
1430.0000 -123.54031 -118.35870 5.18161 2.55619 -117.78810 902.63805
1435.0000 -124.66961 -119.69713 4.97247 2.47964 -118.85452 855.94723
1440.0000 -123.12200 -116.98761 6.13439 2.51209 -118.40242 895.44662
1445.0000 -123.07408 -117.17927 5.89481 2.60566 -117.09884 936.98883
1450.0000 -123.07473 -115.60978 7.46495 2.64640 -116.53126 955.63387
1455.0000 -121.51176 -115.39706 6.11470 2.72761 -115.39990 1037.23515
1460.0000 -122.24900 -115.61790 6.63110 2.76667 -114.85580 1026.63239
1465.0000 -123.16033 -117.03357 6.12676 2.67519 -116.13024 973.26733
1470.0000 -122.37011 -116.64866 5.72146 2.68431 -116.00316 1013.95881
1475.0000 -123.17307 -116.83835 6.33471 2.63501 -116.69004 949.07751
1480.0000 -123.61042 -117.98163 5.62879 2.58297 -117.41496 915.36270
1485.0000 -124.44419 -117.15226 7.29193 2.54143 -117.99376 938.03257
1490.0000 -120.75942 -113.58374 7.17568 2.67363 -116.15199 1007.83984
1495.0000 -121.25979 -113.85925 7.40053 2.84217 -113.80394 1143.00824
1500.0000 -122.44999 -114.58167 7.86831 2.82318 -114.06853 1140.44511
FREEZING PROCESS: loop number 7 T-loop= 1019.0000000000000
main_MD> interactions number 7 at Temperature= 1019.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25148 0.58057 -0.68880
force_rgl> df(natom) 0.49788 -4.16854 -0.23773
1505.0000 -120.20657 -111.93995 8.26662 2.84500 -113.76455 1135.86144
1510.0000 -121.56832 -115.57467 5.99365 2.84383 -113.78081 1163.42622
1515.0000 -121.88215 -116.34205 5.54010 2.63978 -116.62353 958.17666
1520.0000 -123.65287 -117.55160 6.10127 2.64421 -116.56175 974.98139
1525.0000 -124.24810 -117.33743 6.91067 2.61893 -116.91402 970.94094
1530.0000 -124.16011 -116.91474 7.24536 2.61104 -117.02397 989.46073
1535.0000 -124.49603 -117.36102 7.13501 2.65637 -116.39246 997.53707
1540.0000 -122.30414 -115.20728 7.09686 2.71499 -115.57580 1044.88217
1545.0000 -123.40671 -115.90667 7.50003 2.73677 -115.27229 1005.83766
1550.0000 -122.10806 -116.11569 5.99237 2.68944 -115.93165 1003.59129
1555.0000 -121.26581 -114.68821 6.57760 2.66855 -116.22279 978.52544
1560.0000 -121.03758 -113.09086 7.94672 2.80875 -114.26955 1118.17140
1565.0000 -121.11735 -114.96568 6.15166 2.83168 -113.95008 1110.02896
1570.0000 -123.72889 -116.57439 7.15451 2.75031 -115.08371 1036.87875
1575.0000 -122.68304 -115.93152 6.75152 2.63657 -116.66821 976.40098
1580.0000 -122.90307 -117.03769 5.86538 2.64220 -116.58980 962.79139
1585.0000 -122.29925 -116.02603 6.27322 2.64356 -116.57086 969.79571
1590.0000 -122.77631 -114.78654 7.98976 2.76628 -114.86120 1055.79896
1595.0000 -121.84202 -114.86410 6.97793 2.80647 -114.30132 1128.06345
1600.0000 -122.63996 -116.41126 6.22870 2.74332 -115.18099 1037.59113
1605.0000 -123.33685 -115.84789 7.48896 2.60951 -117.04520 970.24246
1610.0000 -122.37352 -115.62348 6.75004 2.71450 -115.58261 1063.55170
1615.0000 -123.73314 -115.47923 8.25391 2.74078 -115.21645 1060.61002
1620.0000 -122.31744 -114.23985 8.07759 2.69705 -115.82571 1044.61694
1625.0000 -122.69302 -115.12799 7.56503 2.79502 -114.46079 1109.94102
1630.0000 -123.83375 -118.04708 5.78667 2.66012 -116.34020 1006.94893
1635.0000 -123.69528 -117.16406 6.53122 2.60465 -117.11294 950.73663
1640.0000 -122.80113 -115.25368 7.54745 2.71125 -115.62782 1068.43976
1645.0000 -123.36795 -115.90356 7.46439 2.68819 -115.94916 1013.61407
1650.0000 -121.56210 -114.65781 6.90430 2.70564 -115.70595 1036.80244
1655.0000 -121.80862 -116.04967 5.75895 2.70816 -115.67086 1028.05061
1660.0000 -122.68394 -114.89604 7.78790 2.73017 -115.36428 1030.86041
1665.0000 -122.07624 -115.33565 6.74059 2.71843 -115.52785 1008.73458
1670.0000 -121.10247 -115.23825 5.86422 2.76594 -114.86592 1088.62686
1675.0000 -120.91388 -114.97715 5.93673 2.80626 -114.30415 1114.01506
1680.0000 -123.04423 -117.46579 5.57844 2.67600 -116.11888 991.33841
1685.0000 -122.91984 -115.51071 7.40912 2.64877 -116.49832 970.78213
1690.0000 -122.25813 -115.12398 7.13415 2.73256 -115.33095 1064.54470
1695.0000 -121.86817 -114.05273 7.81544 2.75603 -115.00394 1078.46323
1700.0000 -123.55904 -116.92737 6.63167 2.72734 -115.40368 1049.29585
1705.0000 -123.48646 -115.72548 7.76098 2.67005 -116.20181 1004.81865
1710.0000 -122.51815 -116.61332 5.90483 2.64289 -116.58016 1007.44586
1715.0000 -122.13911 -115.38055 6.75856 2.66185 -116.31612 1033.88293
1720.0000 -120.51753 -112.56080 7.95673 2.79788 -114.42098 1120.14853
1725.0000 -121.69627 -113.35598 8.34029 2.95805 -112.18951 1186.64009
1730.0000 -122.58444 -114.80709 7.77735 2.79321 -114.48598 1069.69126
1735.0000 -122.06775 -114.45076 7.61699 2.72885 -115.38262 1030.28352
1740.0000 -123.20769 -116.92540 6.28229 2.74091 -115.21462 1064.93788
1745.0000 -122.27459 -116.14792 6.12667 2.61206 -117.00968 963.85798
1750.0000 -122.74650 -114.72790 8.01860 2.73672 -115.27301 1032.97549
FREEZING PROCESS: loop number 8 T-loop= 994.00000000000000
main_MD> interactions number 8 at Temperature= 994.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19314 1.25512 3.41355
force_rgl> df(natom) -1.33090 0.99891 -1.29718
1755.0000 -122.35544 -116.09319 6.26225 2.70756 -115.67925 1020.83444
1760.0000 -121.78371 -115.68767 6.09603 2.66907 -116.21545 1005.73861
1765.0000 -122.08621 -116.32334 5.76287 2.75418 -115.02979 1062.49114
1770.0000 -122.30508 -115.71720 6.58788 2.67007 -116.20158 1027.82336
1775.0000 -122.50789 -115.40100 7.10689 2.78688 -114.57417 1115.99799
1780.0000 -122.07976 -115.44842 6.63135 2.72842 -115.38858 1070.26369
1785.0000 -123.34603 -115.59335 7.75268 2.73225 -115.33528 1060.84863
1790.0000 -123.75423 -116.28728 7.46695 2.71607 -115.56068 1020.20917
1795.0000 -122.45306 -114.46597 7.98709 2.69692 -115.82750 1030.81915
1800.0000 -122.87569 -116.58123 6.29446 2.67625 -116.11541 978.77350
1805.0000 -123.14854 -117.10044 6.04810 2.62853 -116.78020 960.03189
1810.0000 -121.31537 -114.08652 7.22885 2.68381 -116.01018 1008.53935
1815.0000 -123.34331 -116.06034 7.28297 2.73477 -115.30015 1042.13794
1820.0000 -124.00557 -116.62107 7.38451 2.66444 -116.28002 990.89758
1825.0000 -124.45606 -117.60777 6.84829 2.63653 -116.66885 996.37080
1830.0000 -124.39929 -117.96483 6.43446 2.55157 -117.85244 930.98134
1835.0000 -124.04064 -117.32497 6.71567 2.55589 -117.79228 928.50966
1840.0000 -123.83936 -116.86887 6.97049 2.59385 -117.26345 952.96627
1845.0000 -123.69335 -116.87636 6.81699 2.59074 -117.30677 909.47115
1850.0000 -123.22427 -116.86895 6.35532 2.60443 -117.11597 956.15840
1855.0000 -123.94752 -116.28442 7.66310 2.67897 -116.07751 1015.77004
1860.0000 -124.03069 -117.36464 6.66605 2.61525 -116.96527 1016.72593
1865.0000 -123.30389 -117.40745 5.89644 2.59268 -117.27966 945.01529
1870.0000 -122.36996 -116.48990 5.88006 2.65794 -116.37049 952.31449
1875.0000 -122.88031 -117.25688 5.62343 2.65906 -116.35494 968.44867
1880.0000 -123.90027 -117.46890 6.43136 2.61440 -116.97714 933.52145
1885.0000 -123.54815 -116.71191 6.83623 2.55800 -117.76287 888.22936
1890.0000 -121.56157 -114.67730 6.88427 2.66925 -116.21299 977.26592
1895.0000 -120.73040 -114.04157 6.68883 2.83237 -113.94042 1113.14092
1900.0000 -123.28412 -115.53578 7.74834 2.78061 -114.66149 1075.35508
1905.0000 -123.65405 -115.82137 7.83268 2.75527 -115.01464 1077.13082
1910.0000 -122.98412 -115.58086 7.40327 2.70133 -115.76599 1016.88620
1915.0000 -120.91691 -114.50312 6.41378 2.77770 -114.70211 1064.44056
1920.0000 -123.19846 -116.22892 6.96954 2.75176 -115.06349 1025.38887
1925.0000 -122.18488 -115.79561 6.38926 2.78492 -114.60150 1095.51044
1930.0000 -124.54515 -118.49299 6.05217 2.61784 -116.92919 973.75032
1935.0000 -124.19155 -117.03627 7.15528 2.55173 -117.85028 929.90236
1940.0000 -123.97620 -117.50536 6.47085 2.56430 -117.67515 925.97696
1945.0000 -123.52302 -116.41253 7.11049 2.68193 -116.03628 1029.14546
1950.0000 -124.55800 -116.17692 8.38108 2.71391 -115.59075 1023.87777
1955.0000 -123.24936 -116.75168 6.49769 2.63182 -116.73441 968.80881
1960.0000 -123.12698 -116.83392 6.29307 2.62226 -116.86761 936.95018
1965.0000 -122.80086 -115.42619 7.37467 2.66528 -116.26826 973.00538
1970.0000 -124.31325 -117.77740 6.53585 2.67323 -116.15750 987.09453
1975.0000 -122.42860 -117.31100 5.11759 2.55809 -117.76156 916.64854
1980.0000 -123.19096 -117.35174 5.83923 2.63530 -116.68593 968.91994
1985.0000 -126.16664 -118.95623 7.21041 2.52721 -118.19177 922.42990
1990.0000 -124.38256 -117.65425 6.72832 2.50305 -118.52844 868.29107
1995.0000 -122.01700 -115.24040 6.77660 2.63903 -116.63397 956.46602
2000.0000 -122.51651 -114.92106 7.59545 2.80470 -114.32593 1091.38118
FREEZING PROCESS: loop number 9 T-loop= 969.00000000000000
main_MD> interactions number 9 at Temperature= 969.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12094 -0.21119 1.84430
force_rgl> df(natom) 1.39864 1.59180 -1.55028
2005.0000 -122.71980 -114.84935 7.87045 2.71277 -115.60673 1049.69617
2010.0000 -123.27998 -115.85708 7.42290 2.71657 -115.55374 1043.43655
2015.0000 -121.77369 -115.21455 6.55914 2.74278 -115.18851 1015.62822
2020.0000 -121.38874 -114.53107 6.85768 2.72672 -115.41225 1024.61612
2025.0000 -123.08048 -115.36292 7.71757 2.79069 -114.52114 1074.12296
2030.0000 -122.18997 -115.00344 7.18653 2.70397 -115.72923 1011.45997
2035.0000 -123.63521 -116.59716 7.03805 2.72280 -115.46698 1040.72671
2040.0000 -124.09852 -117.23138 6.86714 2.61190 -117.01196 973.30312
2045.0000 -124.27593 -118.11340 6.16253 2.60740 -117.07458 965.43392
2050.0000 -122.21728 -115.50533 6.71195 2.62622 -116.81243 977.12941
2055.0000 -123.85227 -116.49548 7.35678 2.66256 -116.30621 991.08113
2060.0000 -122.23134 -116.28822 5.94312 2.60577 -117.09739 922.73878
2065.0000 -124.73343 -119.35610 5.37733 2.52409 -118.23527 912.65034
2070.0000 -124.14985 -118.22968 5.92017 2.52046 -118.28583 880.39254
2075.0000 -124.34189 -116.79567 7.54622 2.52895 -118.16760 907.85100
2080.0000 -123.17505 -115.18121 7.99384 2.68646 -115.97324 1027.11467
2085.0000 -122.89440 -115.11077 7.78363 2.70069 -115.77498 1006.44544
2090.0000 -123.32626 -116.48280 6.84345 2.65200 -116.45334 975.21091
2095.0000 -122.97369 -115.39770 7.57599 2.62498 -116.82969 950.67558
2100.0000 -123.97961 -116.83677 7.14284 2.65329 -116.43537 1003.54380
2105.0000 -124.19464 -117.61538 6.57926 2.59257 -117.28131 950.78336
2110.0000 -125.09496 -118.78427 6.31070 2.56540 -117.65981 898.10230
2115.0000 -122.39755 -116.11424 6.28331 2.63441 -116.69831 978.61516
2120.0000 -123.69269 -117.04739 6.64530 2.64290 -116.58012 1000.90280
2125.0000 -123.14507 -116.33677 6.80831 2.61810 -116.92553 969.33274
2130.0000 -122.11120 -115.70055 6.41064 2.71955 -115.51216 1042.33271
2135.0000 -123.18821 -116.50451 6.68370 2.68340 -116.01582 989.80881
2140.0000 -123.01402 -116.75148 6.26254 2.69299 -115.88226 1037.35594
2145.0000 -122.90450 -115.80060 7.10390 2.68070 -116.05341 972.90528
2150.0000 -122.98834 -115.81133 7.17701 2.71797 -115.53416 1031.81866
2155.0000 -122.93848 -116.81069 6.12780 2.68539 -115.98813 979.63112
2160.0000 -122.95396 -115.73247 7.22148 2.70765 -115.67802 1022.01928
2165.0000 -122.15179 -115.09267 7.05912 2.75704 -114.98994 1083.45698
2170.0000 -124.36454 -117.53799 6.82655 2.65315 -116.43730 966.33666
2175.0000 -124.29806 -117.67041 6.62765 2.62213 -116.86942 975.90760
2180.0000 -123.62306 -116.40942 7.21363 2.56897 -117.60997 943.53449
2185.0000 -123.02669 -117.32506 5.70162 2.58023 -117.45312 918.43392
2190.0000 -121.38215 -114.87496 6.50719 2.64689 -116.52455 985.93356
2195.0000 -121.62219 -114.74037 6.88182 2.76512 -114.87739 1054.86127
2200.0000 -122.21188 -114.65394 7.55794 2.77039 -114.80391 1068.96163
2205.0000 -122.56691 -116.74398 5.82293 2.68655 -115.97193 1005.39434
2210.0000 -123.69738 -116.95093 6.74646 2.62223 -116.86807 932.52534
2215.0000 -121.38234 -113.60222 7.78012 2.71494 -115.57643 1030.29210
2220.0000 -123.25473 -116.78346 6.47127 2.72155 -115.48441 1054.52525
2225.0000 -122.81892 -116.04065 6.77827 2.66951 -116.20939 1013.11092
2230.0000 -122.03787 -115.74327 6.29459 2.68128 -116.04541 993.28193
2235.0000 -122.88396 -116.30401 6.57995 2.73295 -115.32559 1019.56019
2240.0000 -123.76292 -117.27716 6.48576 2.62023 -116.89594 968.70112
2245.0000 -124.44012 -117.94133 6.49879 2.60979 -117.04134 949.90551
2250.0000 -124.19170 -118.70099 5.49071 2.51422 -118.37277 871.96276
FREEZING PROCESS: loop number 10 T-loop= 944.00000000000000
main_MD> interactions number 10 at Temperature= 944.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74104 -0.94491 -1.89257
force_rgl> df(natom) 2.07712 1.01418 0.51918
2255.0000 -125.69109 -118.98287 6.70823 2.45095 -119.25423 834.13329
2260.0000 -124.55791 -117.88758 6.67033 2.54601 -117.92985 905.61156
2265.0000 -124.05837 -117.02229 7.03608 2.60770 -117.07047 946.73466
2270.0000 -122.77981 -115.57270 7.20711 2.70549 -115.70815 1027.58967
2275.0000 -122.86905 -116.22372 6.64532 2.65164 -116.45831 983.39896
2280.0000 -124.08972 -117.13047 6.95925 2.63309 -116.71672 967.77969
2285.0000 -124.48930 -117.89289 6.59641 2.55164 -117.85147 886.97591
2290.0000 -124.78740 -118.05063 6.73677 2.55321 -117.82966 944.67265
2295.0000 -123.32934 -117.94778 5.38156 2.52718 -118.19227 917.56529
2300.0000 -123.57819 -116.98935 6.58884 2.58126 -117.43881 966.93072
2305.0000 -122.91621 -115.34162 7.57459 2.62318 -116.85486 981.78002
2310.0000 -123.23329 -116.47342 6.75987 2.67886 -116.07904 973.35095
2315.0000 -121.80460 -115.49197 6.31263 2.71276 -115.60676 1068.52586
2320.0000 -122.14666 -115.76826 6.37840 2.69998 -115.78488 1009.39032
2325.0000 -123.48805 -117.18802 6.30003 2.63580 -116.67893 969.00078
2330.0000 -123.62648 -117.94855 5.67793 2.58867 -117.33560 965.57439
2335.0000 -122.70315 -115.84381 6.85934 2.61624 -116.95143 950.44070
2340.0000 -121.54650 -115.41533 6.13117 2.73925 -115.23777 1017.90616
2345.0000 -122.34008 -116.56394 5.77614 2.66901 -116.21635 1005.43980
2350.0000 -123.19154 -116.59632 6.59522 2.59310 -117.27385 930.31522
2355.0000 -123.79428 -117.45558 6.33870 2.60073 -117.16764 942.08477
2360.0000 -124.15028 -117.50565 6.64463 2.52563 -118.21379 921.05035
2365.0000 -123.82880 -117.13285 6.69594 2.60525 -117.10465 999.60435
2370.0000 -124.87914 -119.13305 5.74609 2.52152 -118.27116 920.95700
2375.0000 -123.54840 -116.56292 6.98548 2.55770 -117.76698 885.88442
2380.0000 -122.45112 -115.84626 6.60486 2.72529 -115.43220 1047.99218
2385.0000 -122.38144 -116.19823 6.18322 2.70274 -115.74634 1001.02489
2390.0000 -122.96360 -116.50356 6.46004 2.67245 -116.16840 970.15888
2395.0000 -123.88607 -116.44576 7.44031 2.68047 -116.05660 990.32488
2400.0000 -123.08034 -115.35338 7.72696 2.66770 -116.23461 974.09324
2405.0000 -122.32513 -115.74503 6.58010 2.76014 -114.94668 1068.21940
2410.0000 -123.53786 -117.18496 6.35290 2.64667 -116.52754 1005.12929
2415.0000 -123.55478 -117.51309 6.04169 2.54902 -117.88793 923.80291
2420.0000 -123.35655 -117.78040 5.57615 2.57035 -117.59080 918.70195
2425.0000 -124.56331 -118.30880 6.25451 2.56725 -117.63400 924.88942
2430.0000 -124.73280 -118.76086 5.97194 2.50577 -118.49057 899.25797
2435.0000 -122.87990 -118.15475 4.72515 2.49821 -118.59590 844.26974
2440.0000 -122.58844 -116.53466 6.05378 2.55134 -117.85564 862.54835
2445.0000 -122.51704 -115.18513 7.33191 2.63886 -116.63637 987.04950
2450.0000 -123.19854 -118.01295 5.18560 2.61424 -116.97936 949.88519
2455.0000 -124.41624 -118.79168 5.62457 2.53442 -118.09134 892.27606
2460.0000 -124.21849 -117.24084 6.97765 2.49602 -118.62635 865.75441
2465.0000 -123.40236 -116.94415 6.45821 2.62587 -116.81732 1007.23968
2470.0000 -122.59818 -116.58925 6.00893 2.61348 -116.99000 963.63176
2475.0000 -123.16055 -118.21040 4.95015 2.56078 -117.72413 889.31046
2480.0000 -124.75805 -118.40363 6.35443 2.51665 -118.33900 863.11586
2485.0000 -123.76373 -116.88959 6.87414 2.58762 -117.35026 921.93555
2490.0000 -122.80572 -116.44228 6.36344 2.61381 -116.98535 989.60525
2495.0000 -123.77480 -116.59852 7.17627 2.67135 -116.18365 999.60873
2500.0000 -123.64322 -117.92791 5.71531 2.54558 -117.93585 908.82910
FREEZING PROCESS: loop number 11 T-loop= 919.00000000000000
main_MD> interactions number 11 at Temperature= 919.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10242 3.54735 0.98360
force_rgl> df(natom) -1.75270 0.33201 -0.73133
2505.0000 -124.40152 -118.06640 6.33512 2.56867 -117.61424 915.15073
2510.0000 -124.83085 -119.22733 5.60352 2.46571 -119.04864 815.78574
2515.0000 -123.68608 -117.42126 6.26483 2.56923 -117.60645 896.67343
2520.0000 -123.95536 -118.43024 5.52512 2.48827 -118.73434 870.09197
2525.0000 -124.54677 -118.00545 6.54132 2.51431 -118.37154 866.10780
2530.0000 -124.97199 -117.86397 7.10802 2.57434 -117.53517 935.72843
2535.0000 -124.18127 -118.20799 5.97328 2.47971 -118.85355 891.55015
2540.0000 -123.47504 -116.84951 6.62553 2.50383 -118.51759 917.32667
2545.0000 -121.99429 -115.90490 6.08939 2.66409 -116.28479 984.99425
2550.0000 -123.91785 -117.24556 6.67230 2.64719 -116.52035 983.83998
2555.0000 -124.17245 -117.00300 7.16944 2.60584 -117.09643 944.38605
2560.0000 -122.95038 -116.18074 6.76964 2.62352 -116.85006 916.47672
2565.0000 -122.69453 -115.60438 7.09014 2.69638 -115.83500 1036.17864
2570.0000 -124.50950 -117.92702 6.58249 2.57639 -117.50665 955.76762
2575.0000 -123.95734 -116.52177 7.43557 2.50126 -118.55341 875.01876
2580.0000 -123.39015 -115.76351 7.62664 2.68664 -115.97077 1016.17303
2585.0000 -123.30336 -116.29685 7.00651 2.68100 -116.04932 1016.39022
2590.0000 -122.71432 -117.37676 5.33756 2.63698 -116.66254 999.42625
2595.0000 -121.68870 -116.21916 5.46953 2.69514 -115.85228 1027.25141
2600.0000 -123.11244 -117.11632 5.99612 2.71388 -115.59116 1018.68075
2605.0000 -123.74023 -118.14728 5.59296 2.56075 -117.72449 925.55118
2610.0000 -122.76646 -116.00063 6.76583 2.58479 -117.38958 970.70269
2615.0000 -122.40348 -117.00922 5.39426 2.66053 -116.33451 974.24399
2620.0000 -123.51890 -117.69491 5.82400 2.58055 -117.44869 907.44625
2625.0000 -124.35539 -118.67471 5.68068 2.54019 -118.01094 890.90893
2630.0000 -126.21933 -121.07387 5.14546 2.43445 -119.48414 826.70521
2635.0000 -124.09495 -118.46118 5.63378 2.48037 -118.84437 857.05306
2640.0000 -123.52130 -117.97111 5.55019 2.53034 -118.14819 914.10990
2645.0000 -124.45286 -119.60059 4.85227 2.46810 -119.01530 841.26489
2650.0000 -126.20235 -120.70673 5.49562 2.37224 -120.35086 785.01219
2655.0000 -124.57415 -118.75674 5.81741 2.43687 -119.45037 834.83260
2660.0000 -124.37098 -117.72726 6.64372 2.51936 -118.30119 898.86985
2665.0000 -122.97709 -116.99686 5.98023 2.61395 -116.98340 958.32332
2670.0000 -123.41381 -117.48173 5.93207 2.60342 -117.13013 941.07887
2675.0000 -124.37162 -118.30151 6.07010 2.58928 -117.32709 925.30827
2680.0000 -124.63982 -118.57210 6.06772 2.55435 -117.81376 878.02914
2685.0000 -122.82221 -116.62248 6.19973 2.55334 -117.82781 899.04225
2690.0000 -122.66345 -115.69582 6.96763 2.71429 -115.58554 1026.49385
2695.0000 -123.65826 -116.73766 6.92059 2.62637 -116.81035 975.45650
2700.0000 -121.86245 -116.55819 5.30426 2.64557 -116.54285 946.80620
2705.0000 -123.45444 -117.48892 5.96552 2.57594 -117.51299 924.99675
2710.0000 -124.39933 -118.19453 6.20480 2.55686 -117.77874 931.44106
2715.0000 -123.61883 -116.70275 6.91608 2.63744 -116.65615 984.84897
2720.0000 -122.82068 -117.40288 5.41780 2.62924 -116.77038 934.11303
2725.0000 -124.03745 -118.21218 5.82527 2.58149 -117.43563 939.13301
2730.0000 -122.98325 -117.15012 5.83312 2.51734 -118.32929 883.12151
2735.0000 -124.71765 -119.00635 5.71130 2.58361 -117.40603 944.60702
2740.0000 -124.49702 -119.03473 5.46230 2.48619 -118.76324 873.37841
2745.0000 -123.37229 -117.84982 5.52247 2.47376 -118.93646 885.43495
2750.0000 -124.37278 -116.97989 7.39288 2.64790 -116.51041 1004.20522
FREEZING PROCESS: loop number 12 T-loop= 894.00000000000000
main_MD> interactions number 12 at Temperature= 894.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.72313 1.62838 -0.99832
force_rgl> df(natom) 0.91052 -1.41400 -0.01247
2755.0000 -124.26607 -117.96447 6.30160 2.56507 -117.66434 900.39143
2760.0000 -123.25434 -117.23039 6.02395 2.60588 -117.09586 947.59513
2765.0000 -122.73780 -116.31967 6.41813 2.61956 -116.90530 992.35348
2770.0000 -123.57701 -117.85345 5.72356 2.60900 -117.05229 971.57851
2775.0000 -124.84625 -118.05383 6.79242 2.51708 -118.33291 906.97948
2780.0000 -124.47618 -118.76993 5.70625 2.50695 -118.47412 882.84282
2785.0000 -125.20035 -119.58221 5.61814 2.48786 -118.74009 871.60855
2790.0000 -125.41048 -118.55149 6.85899 2.51143 -118.41166 873.59722
2795.0000 -123.26854 -117.37487 5.89367 2.56752 -117.63029 882.97102
2800.0000 -124.27452 -117.64977 6.62474 2.57608 -117.51091 910.41805
2805.0000 -123.99951 -117.18556 6.81395 2.57917 -117.46796 895.59478
2810.0000 -124.67458 -118.21575 6.45883 2.54405 -117.95720 930.17236
2815.0000 -123.31754 -118.21415 5.10339 2.51779 -118.32299 837.52202
2820.0000 -124.89344 -119.13704 5.75640 2.51882 -118.30866 876.45750
2825.0000 -122.99272 -116.70083 6.29189 2.53912 -118.02594 899.68856
2830.0000 -123.27489 -117.95125 5.32363 2.59516 -117.24513 919.48741
2835.0000 -124.08789 -119.15051 4.93737 2.53774 -118.04512 919.84325
2840.0000 -125.77387 -119.30026 6.47360 2.42407 -119.62872 800.20745
2845.0000 -123.13014 -117.54248 5.58766 2.44298 -119.36534 851.46247
2850.0000 -123.50068 -117.25749 6.24319 2.58268 -117.41902 958.67898
2855.0000 -123.22590 -117.46070 5.76520 2.53455 -118.08958 886.87611
2860.0000 -124.09627 -118.58162 5.51465 2.58570 -117.37703 958.34864
2865.0000 -123.32464 -115.75117 7.57347 2.62194 -116.87205 983.20026
2870.0000 -123.92691 -117.49541 6.43150 2.59490 -117.24874 931.81109
2875.0000 -124.57989 -118.42268 6.15722 2.54007 -118.01270 892.20342
2880.0000 -125.29729 -119.37031 5.92699 2.46486 -119.06053 857.83256
2885.0000 -125.25224 -119.29334 5.95890 2.42317 -119.64125 828.80074
2890.0000 -124.77637 -118.80292 5.97345 2.45198 -119.23985 840.39873
2895.0000 -123.95112 -116.99670 6.95442 2.56765 -117.62842 935.24761
2900.0000 -124.21827 -118.55560 5.66268 2.56845 -117.61728 920.99954
2905.0000 -124.11215 -119.27497 4.83718 2.45192 -119.24076 796.49316
2910.0000 -123.84585 -117.84020 6.00565 2.51156 -118.40990 865.97266
2915.0000 -122.61756 -116.35112 6.26643 2.61036 -117.03342 947.80645
2920.0000 -122.42216 -117.08145 5.34071 2.63529 -116.68610 960.46989
2925.0000 -124.73627 -119.12330 5.61297 2.51325 -118.38631 902.20661
2930.0000 -124.31978 -118.43079 5.88899 2.51460 -118.36752 895.13699
2935.0000 -123.96926 -117.89908 6.07018 2.56196 -117.70775 892.76335
2940.0000 -123.41687 -116.59459 6.82229 2.62933 -116.76908 978.92247
2945.0000 -121.77288 -116.28339 5.48949 2.64428 -116.56078 978.14765
2950.0000 -124.27272 -118.33756 5.93516 2.57895 -117.47104 933.79747
2955.0000 -121.94604 -115.75952 6.18653 2.53310 -118.10977 898.71987
2960.0000 -123.80603 -117.11627 6.68976 2.67925 -116.07364 991.13880
2965.0000 -124.02368 -117.60431 6.41937 2.55643 -117.78469 899.48635
2970.0000 -123.21809 -118.00271 5.21538 2.52097 -118.27879 859.91755
2975.0000 -123.97238 -117.57127 6.40111 2.58905 -117.33030 937.03504
2980.0000 -124.37888 -117.93817 6.44071 2.59522 -117.24439 948.77679
2985.0000 -125.40746 -118.70486 6.70260 2.59193 -117.29011 947.63032
2990.0000 -123.65173 -118.20297 5.44875 2.56058 -117.72690 909.68811
2995.0000 -124.69494 -118.47365 6.22129 2.55281 -117.83519 892.96977
3000.0000 -123.44181 -117.51668 5.92513 2.51660 -118.33961 874.74820
FREEZING PROCESS: loop number 13 T-loop= 869.00000000000000
main_MD> interactions number 13 at Temperature= 869.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68955 2.13514 -2.70993
force_rgl> df(natom) -0.81141 -1.23959 -1.56589
3005.0000 -123.84071 -117.36317 6.47754 2.64822 -116.50601 1022.08388
3010.0000 -123.46445 -117.86754 5.59691 2.56290 -117.69457 924.69266
3015.0000 -124.55920 -119.19968 5.35951 2.51354 -118.38225 893.46721
3020.0000 -124.06096 -119.46562 4.59534 2.46300 -119.08633 808.59496
3025.0000 -123.13077 -117.48667 5.64410 2.51541 -118.35616 882.46252
3030.0000 -124.28060 -118.99074 5.28986 2.50885 -118.44757 896.83884
3035.0000 -125.68431 -120.19999 5.48432 2.41951 -119.69232 811.36734
3040.0000 -126.30723 -120.90917 5.39806 2.39662 -120.01109 771.67065
3045.0000 -126.42978 -120.41437 6.01541 2.39421 -120.04468 800.66024
3050.0000 -124.52533 -120.27288 4.25245 2.35825 -120.54572 781.38864
3055.0000 -125.68856 -119.71324 5.97532 2.43006 -119.54523 789.81829
3060.0000 -125.20176 -118.88328 6.31848 2.39836 -119.98695 789.82529
3065.0000 -124.98468 -119.11422 5.87047 2.44084 -119.39508 833.40169
3070.0000 -125.22158 -120.72497 4.49661 2.38740 -120.13959 777.29554
3075.0000 -125.37156 -120.31219 5.05937 2.36281 -120.48219 752.13839
3080.0000 -124.72692 -118.90587 5.82105 2.43483 -119.47885 828.61721
3085.0000 -125.35336 -119.41247 5.94089 2.44211 -119.37747 835.84360
3090.0000 -124.80289 -119.82326 4.97962 2.40056 -119.95632 805.27395
3095.0000 -123.59961 -117.94026 5.65935 2.47868 -118.86792 835.50138
3100.0000 -122.97970 -117.41582 5.56387 2.57742 -117.49233 911.71053
3105.0000 -124.00300 -117.24485 6.75815 2.60276 -117.13924 927.38302
3110.0000 -124.37196 -118.28944 6.08252 2.52884 -118.16911 871.41312
3115.0000 -125.28469 -118.50063 6.78407 2.50742 -118.46752 871.29602
3120.0000 -125.16771 -119.43656 5.73115 2.44219 -119.37628 838.96831
3125.0000 -124.18466 -117.79660 6.38806 2.47351 -118.93991 833.72340
3130.0000 -126.16969 -120.34113 5.82856 2.46874 -119.00642 866.18538
3135.0000 -123.01830 -117.37417 5.64413 2.50629 -118.48321 874.81478
3140.0000 -123.71279 -116.61682 7.09597 2.57829 -117.48022 934.01665
3145.0000 -124.86613 -118.52333 6.34280 2.53018 -118.15038 916.49042
3150.0000 -123.97916 -118.02962 5.94954 2.46351 -119.07923 869.76434
3155.0000 -125.56756 -120.66319 4.90438 2.48899 -118.72426 844.66276
3160.0000 -126.82566 -121.74022 5.08544 2.29671 -121.40308 717.34692
3165.0000 -126.57808 -121.54534 5.03273 2.28008 -121.63472 688.71795
3170.0000 -124.57262 -119.58161 4.99101 2.42202 -119.65725 816.56088
3175.0000 -123.66720 -118.13295 5.53425 2.45945 -119.13580 840.78828
3180.0000 -125.72904 -120.06862 5.66041 2.42556 -119.60804 826.35147
3185.0000 -124.60192 -118.85051 5.75142 2.43772 -119.43862 848.76891
3190.0000 -124.81057 -118.14091 6.66967 2.48258 -118.81355 871.22033
3195.0000 -122.75679 -117.73232 5.02447 2.53505 -118.08255 895.74088
3200.0000 -123.74367 -116.98102 6.76265 2.55686 -117.77880 868.96445
3205.0000 -124.11669 -118.79925 5.31745 2.58605 -117.37212 950.22797
3210.0000 -124.03942 -118.13761 5.90181 2.45786 -119.15800 852.77315
3215.0000 -125.06152 -117.86413 7.19739 2.56071 -117.72508 954.90102
3220.0000 -124.96557 -119.38871 5.57686 2.49139 -118.69086 893.25709
3225.0000 -125.20042 -119.37798 5.82244 2.46991 -118.99004 861.72138
3230.0000 -124.56101 -119.23281 5.32820 2.44980 -119.27027 843.92863
3235.0000 -124.25060 -118.89547 5.35514 2.43329 -119.50021 823.58229
3240.0000 -124.79913 -118.81912 5.98000 2.47196 -118.96159 861.67765
3245.0000 -125.04856 -119.43088 5.61768 2.48115 -118.83353 856.13525
3250.0000 -123.90455 -118.25627 5.64828 2.44705 -119.30852 801.87848
FREEZING PROCESS: loop number 14 T-loop= 844.00000000000000
main_MD> interactions number 14 at Temperature= 844.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.97369 1.23864 4.52023
force_rgl> df(natom) 6.10255 2.46235 0.08830
3255.0000 -123.05340 -116.34274 6.71066 2.58914 -117.32897 960.36249
3260.0000 -123.63575 -116.12060 7.51515 2.61979 -116.90207 964.93861
3265.0000 -124.12095 -117.96344 6.15751 2.59967 -117.18232 916.65664
3270.0000 -125.00320 -119.37049 5.63271 2.52952 -118.15967 896.76842
3275.0000 -124.93928 -118.79932 6.13996 2.47270 -118.95119 822.41611
3280.0000 -124.91000 -119.23853 5.67147 2.51246 -118.39736 891.47863
3285.0000 -124.21095 -118.28983 5.92112 2.50555 -118.49364 829.35330
3290.0000 -124.36346 -118.92666 5.43681 2.46477 -119.06169 850.40948
3295.0000 -124.85604 -118.47093 6.38511 2.54734 -117.91141 947.94187
3300.0000 -124.96089 -119.22656 5.73433 2.51666 -118.33884 889.07831
3305.0000 -124.71230 -118.58262 6.12968 2.46644 -119.03842 853.06771
3310.0000 -124.56048 -119.14665 5.41383 2.47745 -118.88508 835.06191
3315.0000 -125.70880 -120.41331 5.29549 2.41819 -119.71064 790.43039
3320.0000 -124.81903 -119.97706 4.84197 2.38171 -120.21887 780.45993
3325.0000 -124.96169 -119.40120 5.56049 2.38788 -120.13294 763.66894
3330.0000 -125.04149 -119.62821 5.41328 2.42501 -119.61562 859.10265
3335.0000 -123.78709 -118.36585 5.42124 2.42801 -119.57379 781.86881
3340.0000 -123.35452 -116.88784 6.46669 2.51268 -118.39429 861.38542
3345.0000 -124.72090 -118.19768 6.52322 2.55788 -117.76458 916.49032
3350.0000 -125.35005 -118.22950 7.12055 2.51730 -118.32983 851.32535
3355.0000 -124.57995 -118.80569 5.77426 2.50482 -118.50382 872.40625
3360.0000 -124.19787 -118.79017 5.40771 2.44984 -119.26975 827.90383
3365.0000 -125.37061 -120.24918 5.12143 2.43387 -119.49217 792.98305
3370.0000 -125.49074 -119.89323 5.59750 2.37718 -120.28193 777.94499
3375.0000 -125.54604 -119.17473 6.37131 2.45327 -119.22199 820.40000
3380.0000 -124.95972 -118.70991 6.24982 2.47998 -118.84983 855.99528
3385.0000 -123.80175 -118.45922 5.34253 2.44757 -119.30139 840.99695
3390.0000 -125.25997 -119.40324 5.85673 2.50581 -118.48992 892.51694
3395.0000 -125.18023 -120.18189 4.99834 2.44594 -119.32398 840.19038
3400.0000 -124.98213 -119.80779 5.17433 2.40383 -119.91073 778.50193
3405.0000 -123.86368 -118.12228 5.74139 2.43481 -119.47907 803.14507
3410.0000 -124.94662 -118.07445 6.87217 2.52199 -118.26453 892.53904
3415.0000 -124.41899 -118.83683 5.58216 2.42266 -119.64840 782.60026
3420.0000 -124.95011 -118.44850 6.50161 2.50630 -118.48309 849.24396
3425.0000 -125.89308 -120.39660 5.49649 2.45752 -119.16278 837.54625
3430.0000 -125.54454 -120.64698 4.89757 2.39207 -120.07454 788.46281
3435.0000 -125.85718 -121.52108 4.33610 2.33774 -120.83142 759.41676
3440.0000 -124.88001 -118.68186 6.19815 2.46885 -119.00486 838.73366
3445.0000 -123.64667 -117.23494 6.41172 2.54930 -117.88401 921.89733
3450.0000 -124.62149 -118.30654 6.31495 2.56017 -117.73259 911.94603
3455.0000 -125.28922 -118.52268 6.76654 2.49247 -118.67587 862.47015
3460.0000 -124.54605 -119.84243 4.70362 2.43994 -119.40770 835.49935
3465.0000 -122.79553 -117.79592 4.99962 2.46233 -119.09573 813.66347
3470.0000 -125.43938 -119.25312 6.18625 2.50436 -118.51014 875.65722
3475.0000 -125.39734 -118.92012 6.47722 2.46106 -119.11342 864.82124
3480.0000 -125.80353 -119.98066 5.82287 2.46429 -119.06838 852.71851
3485.0000 -124.57672 -119.64626 4.93046 2.41404 -119.76840 793.07028
3490.0000 -126.39545 -120.87806 5.51739 2.39784 -119.99413 786.42990
3495.0000 -126.93938 -120.55596 6.38342 2.35769 -120.55351 808.92017
3500.0000 -123.63923 -118.04708 5.59215 2.46828 -119.01277 883.38791
FREEZING PROCESS: loop number 15 T-loop= 819.00000000000000
main_MD> interactions number 15 at Temperature= 819.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36026 -1.98053 -0.10401
force_rgl> df(natom) -1.35593 -0.15297 2.00496
3505.0000 -125.65482 -120.09171 5.56311 2.45574 -119.18751 846.28454
3510.0000 -125.03708 -119.01902 6.01807 2.42010 -119.68400 822.82271
3515.0000 -124.68721 -118.74658 5.94063 2.51905 -118.30545 885.05311
3520.0000 -125.36070 -119.72051 5.64019 2.44733 -119.30465 830.01439
3525.0000 -124.08503 -119.61688 4.46815 2.38167 -120.21943 824.11284
3530.0000 -125.35632 -120.39588 4.96044 2.41745 -119.72097 829.90601
3535.0000 -125.20953 -119.31090 5.89863 2.42407 -119.62870 828.46527
3540.0000 -125.22599 -119.67426 5.55173 2.39418 -120.04512 808.00883
3545.0000 -125.35685 -120.06101 5.29585 2.39179 -120.07839 773.14849
3550.0000 -125.40768 -120.03760 5.37007 2.38745 -120.13897 782.76542
3555.0000 -125.49383 -120.73679 4.75703 2.38159 -120.22061 748.00918
3560.0000 -126.59732 -121.46945 5.12787 2.32874 -120.95680 748.65351
3565.0000 -125.77769 -120.20280 5.57489 2.32333 -121.03220 774.96578
3570.0000 -125.52741 -119.99285 5.53456 2.42613 -119.60006 814.41148
3575.0000 -126.45018 -120.62203 5.82815 2.36150 -120.50047 769.25730
3580.0000 -126.36132 -120.72944 5.63188 2.31569 -121.13865 711.87719
3585.0000 -125.72292 -119.55230 6.17062 2.37716 -120.28221 806.16965
3590.0000 -124.71782 -118.35707 6.36074 2.45150 -119.24661 847.48848
3595.0000 -123.86745 -116.53722 7.33023 2.59933 -117.18707 954.16460
3600.0000 -122.88853 -118.39383 4.49470 2.57736 -117.49319 940.70941
3605.0000 -125.39439 -118.94070 6.45369 2.54691 -117.91735 864.06189
3610.0000 -124.57518 -117.93556 6.63962 2.50061 -118.56241 880.07762
3615.0000 -125.42741 -119.56771 5.85970 2.45993 -119.12909 835.51714
3620.0000 -123.78277 -119.04709 4.73568 2.42572 -119.60568 821.55262
3625.0000 -125.37601 -118.62444 6.75158 2.49778 -118.60181 853.42162
3630.0000 -124.18637 -118.70733 5.47903 2.50697 -118.47376 876.63804
3635.0000 -124.17737 -118.34680 5.83057 2.45502 -119.19752 810.77935
3640.0000 -125.60817 -120.14357 5.46460 2.45343 -119.21972 809.39696
3645.0000 -124.93364 -119.06774 5.86590 2.41207 -119.79591 823.30472
3650.0000 -125.40006 -119.62220 5.77786 2.42789 -119.57555 802.53187
3655.0000 -125.48584 -119.80112 5.68473 2.44552 -119.32988 841.72758
3660.0000 -125.11386 -119.29949 5.81437 2.44234 -119.37426 834.12942
3665.0000 -126.17993 -121.33890 4.84103 2.34849 -120.68163 747.53570
3670.0000 -126.65506 -121.87953 4.77553 2.28110 -121.62057 715.26717
3675.0000 -125.24177 -120.55807 4.68370 2.31846 -121.10005 740.80588
3680.0000 -125.18671 -119.51290 5.67380 2.38258 -120.20680 790.69008
3685.0000 -125.90346 -119.18210 6.72136 2.45233 -119.23501 812.25891
3690.0000 -125.02519 -119.05769 5.96751 2.44949 -119.27453 825.90198
3695.0000 -125.64467 -120.46204 5.18263 2.44412 -119.34940 850.89045
3700.0000 -125.11110 -120.53796 4.57313 2.40735 -119.86162 833.96864
3705.0000 -124.74749 -119.42514 5.32235 2.42485 -119.61789 813.20736
3710.0000 -123.47836 -117.35487 6.12350 2.51137 -118.41244 842.54007
3715.0000 -124.36277 -120.04069 4.32208 2.42447 -119.62320 830.40290
3720.0000 -126.58660 -119.39540 7.19120 2.40682 -119.86908 836.25700
3725.0000 -124.97827 -120.13852 4.83974 2.39560 -120.02533 781.40783
3730.0000 -126.35740 -119.84448 6.51292 2.39306 -120.06079 818.28464
3735.0000 -125.18114 -120.38244 4.79869 2.40194 -119.93700 822.32490
3740.0000 -125.27077 -119.24547 6.02530 2.39971 -119.96817 806.59293
3745.0000 -125.96680 -120.25254 5.71426 2.44655 -119.31562 816.30525
3750.0000 -124.22444 -118.22251 6.00193 2.45629 -119.17987 843.38945
FREEZING PROCESS: loop number 16 T-loop= 794.00000000000000
main_MD> interactions number 16 at Temperature= 794.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03451 1.28154 -0.79256
force_rgl> df(natom) -0.49425 0.90063 1.88455
3755.0000 -124.28283 -117.05640 7.22643 2.53527 -118.07951 883.73943
3760.0000 -125.47785 -119.75034 5.72751 2.50090 -118.55841 872.98031
3765.0000 -126.24844 -121.16001 5.08843 2.37135 -120.36325 772.71208
3770.0000 -125.08290 -119.56817 5.51472 2.40143 -119.94412 797.01011
3775.0000 -125.04854 -119.84980 5.19875 2.41772 -119.71723 793.80735
3780.0000 -124.73863 -118.95443 5.78421 2.42814 -119.57204 804.18660
3785.0000 -124.00220 -117.73954 6.26266 2.50690 -118.47482 871.89670
3790.0000 -123.56312 -118.36756 5.19557 2.52430 -118.23240 888.18466
3795.0000 -124.33994 -119.08236 5.25758 2.50278 -118.53216 880.11860
3800.0000 -125.53058 -120.13361 5.39697 2.41006 -119.82391 829.37127
3805.0000 -124.42927 -118.60940 5.81987 2.41960 -119.69099 815.55158
3810.0000 -125.04165 -120.24305 4.79860 2.42479 -119.61875 807.47490
3815.0000 -125.66634 -119.91977 5.74657 2.35787 -120.55105 778.94133
3820.0000 -125.10863 -120.50468 4.60395 2.37420 -120.32354 750.71413
3825.0000 -124.26806 -119.68436 4.58370 2.39288 -120.06331 764.77228
3830.0000 -125.58533 -119.48295 6.10238 2.45838 -119.15073 854.92191
3835.0000 -123.84733 -117.79592 6.05141 2.48762 -118.74337 863.91570
3840.0000 -123.27108 -118.30871 4.96237 2.51958 -118.29817 883.58655
3845.0000 -124.24398 -118.61968 5.62430 2.49986 -118.57291 869.18702
3850.0000 -123.44053 -117.43026 6.01028 2.54217 -117.98346 873.30622
3855.0000 -123.97380 -117.62735 6.34645 2.58167 -117.43305 925.82579
3860.0000 -123.88233 -118.28097 5.60135 2.54929 -117.88424 895.72541
3865.0000 -124.93543 -119.94938 4.98606 2.44189 -119.38040 852.75958
3870.0000 -124.92951 -119.52843 5.40108 2.43151 -119.52507 813.70247
3875.0000 -125.62960 -119.93638 5.69321 2.43865 -119.42565 820.50963
3880.0000 -126.06896 -121.24163 4.82734 2.35377 -120.60811 756.03326
3885.0000 -125.09236 -119.41073 5.68163 2.41272 -119.78692 805.46650
3890.0000 -125.33872 -120.06317 5.27555 2.38176 -120.21814 789.10471
3895.0000 -124.68370 -119.80008 4.88362 2.42363 -119.63488 837.73287
3900.0000 -126.69737 -121.84323 4.85414 2.34336 -120.75311 748.70834
3905.0000 -126.44748 -122.03272 4.41475 2.26755 -121.80928 732.95324
3910.0000 -126.55195 -121.66235 4.88959 2.27718 -121.67516 720.31615
3915.0000 -125.63368 -121.07707 4.55662 2.30154 -121.33582 738.78266
3920.0000 -127.12360 -121.27656 5.84704 2.27906 -121.64894 690.96230
3925.0000 -126.64668 -121.90354 4.74314 2.28127 -121.61823 742.44291
3930.0000 -125.29383 -120.31594 4.97789 2.30842 -121.23989 754.58162
3935.0000 -125.12150 -120.55601 4.56549 2.39157 -120.08144 792.22144
3940.0000 -125.66728 -120.66797 4.99931 2.34223 -120.76895 757.19288
3945.0000 -125.12575 -119.71149 5.41426 2.40438 -119.90306 800.84415
3950.0000 -125.74278 -121.29345 4.44933 2.41373 -119.77280 813.77055
3955.0000 -126.01494 -120.42529 5.58965 2.34581 -120.71907 720.31930
3960.0000 -125.42594 -120.44219 4.98375 2.35506 -120.59018 754.12973
3965.0000 -125.98309 -119.80320 6.17989 2.37726 -120.28088 801.71299
3970.0000 -124.63145 -119.98853 4.64292 2.41624 -119.73788 799.99633
3975.0000 -125.03970 -120.47912 4.56058 2.41503 -119.75467 829.18821
3980.0000 -125.95282 -120.61602 5.33680 2.32409 -121.02158 762.94498
3985.0000 -125.68762 -120.44171 5.24591 2.33532 -120.86512 766.16793
3990.0000 -126.23660 -120.95302 5.28358 2.30933 -121.22728 749.87405
3995.0000 -124.84189 -119.52571 5.31618 2.35876 -120.53865 776.11569
4000.0000 -125.23094 -119.90632 5.32462 2.43221 -119.51538 804.48577
FREEZING PROCESS: loop number 17 T-loop= 769.00000000000000
main_MD> interactions number 17 at Temperature= 769.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99102 1.95225 -0.47813
force_rgl> df(natom) 1.77473 -0.20113 3.96819
4005.0000 -125.64596 -120.42953 5.21642 2.40587 -119.88226 808.07902
4010.0000 -125.28830 -120.09906 5.18924 2.37636 -120.29344 796.12425
4015.0000 -125.14803 -121.63333 3.51470 2.32743 -120.97513 730.10004
4020.0000 -126.74099 -121.89817 4.84282 2.31050 -121.21093 735.30984
4025.0000 -126.01695 -120.12104 5.89591 2.30267 -121.32008 731.48712
4030.0000 -126.33348 -120.95142 5.38206 2.39940 -119.97242 809.14625
4035.0000 -125.68418 -119.02244 6.66175 2.38914 -120.11540 800.08837
4040.0000 -124.52689 -119.64995 4.87694 2.43278 -119.50744 846.02095
4045.0000 -125.84954 -120.30314 5.54640 2.38899 -120.11741 780.51286
4050.0000 -125.07928 -120.35817 4.72111 2.36746 -120.41735 779.37589
4055.0000 -125.87448 -119.56213 6.31235 2.39543 -120.02773 785.59057
4060.0000 -125.05347 -119.10647 5.94700 2.37634 -120.29366 800.80951
4065.0000 -126.26714 -119.82898 6.43817 2.40155 -119.94240 820.78084
4070.0000 -125.75265 -120.55669 5.19596 2.34578 -120.71943 745.07102
4075.0000 -125.53485 -120.68352 4.85133 2.38874 -120.12097 756.39463
4080.0000 -126.22519 -120.91374 5.31145 2.33901 -120.81371 748.43884
4085.0000 -126.11944 -120.26746 5.85198 2.37280 -120.34295 772.28325
4090.0000 -125.50661 -121.18161 4.32500 2.32391 -121.02413 748.15387
4095.0000 -126.74425 -121.31496 5.42929 2.27062 -121.76658 708.24864
4100.0000 -124.90854 -120.15974 4.74880 2.33659 -120.84746 744.87023
4105.0000 -126.00578 -121.22864 4.77714 2.34665 -120.70731 735.36110
4110.0000 -125.92554 -121.11233 4.81321 2.33301 -120.89737 742.38884
4115.0000 -125.53932 -121.31665 4.22266 2.25636 -121.96525 671.31183
4120.0000 -125.82389 -119.80008 6.02380 2.35275 -120.62227 781.63892
4125.0000 -125.62820 -120.10758 5.52063 2.37732 -120.28001 790.52836
4130.0000 -126.13129 -120.68900 5.44229 2.37264 -120.34523 782.65573
4135.0000 -125.17036 -120.59967 4.57070 2.35850 -120.54224 733.16379
4140.0000 -126.23354 -121.01501 5.21852 2.31980 -121.08140 735.89446
4145.0000 -125.40836 -120.72160 4.68676 2.35850 -120.54227 793.68539
4150.0000 -125.88197 -120.04152 5.84046 2.36900 -120.39594 787.69769
4155.0000 -125.57507 -119.83110 5.74397 2.35435 -120.60002 787.36190
4160.0000 -126.94068 -120.92993 6.01075 2.35036 -120.65561 761.09912
4165.0000 -126.67175 -122.20304 4.46870 2.29769 -121.38945 732.81594
4170.0000 -125.84984 -121.12344 4.72640 2.29706 -121.39814 710.97958
4175.0000 -126.52193 -120.67198 5.84995 2.36743 -120.41778 797.05983
4180.0000 -125.19619 -120.32968 4.86651 2.35534 -120.58626 742.98628
4185.0000 -125.34342 -119.90042 5.44300 2.38120 -120.22601 783.08227
4190.0000 -126.11229 -120.50467 5.60762 2.38570 -120.16322 773.44814
4195.0000 -125.67660 -119.78128 5.89532 2.36933 -120.39139 785.18575
4200.0000 -124.46199 -119.29099 5.17100 2.42036 -119.68048 776.66524
4205.0000 -125.42716 -120.43934 4.98783 2.38569 -120.16342 780.51169
4210.0000 -126.48848 -121.35915 5.12933 2.29458 -121.43273 742.93582
4215.0000 -126.25748 -120.56130 5.69618 2.30769 -121.25004 775.25986
4220.0000 -127.08652 -122.49528 4.59123 2.31280 -121.17889 758.51236
4225.0000 -125.97643 -119.91997 6.05646 2.31817 -121.10410 762.95629
4230.0000 -125.13487 -119.60643 5.52844 2.43063 -119.53730 826.54307
4235.0000 -124.66688 -120.07088 4.59601 2.37931 -120.25224 759.78232
4240.0000 -126.99884 -121.52532 5.47352 2.33843 -120.82180 744.57715
4245.0000 -126.97689 -122.59988 4.37701 2.24353 -122.14389 683.69067
4250.0000 -127.15065 -122.79003 4.36062 2.17655 -123.07707 627.42213
FREEZING PROCESS: loop number 18 T-loop= 744.00000000000000
main_MD> interactions number 18 at Temperature= 744.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09385 2.19061 0.18872
force_rgl> df(natom) -0.63570 1.03984 -2.91294
4255.0000 -126.82165 -121.88713 4.93452 2.21662 -122.51883 648.72899
4260.0000 -126.70254 -121.20883 5.49371 2.30231 -121.32502 721.31193
4265.0000 -125.81366 -121.31888 4.49478 2.32750 -120.97408 759.37174
4270.0000 -125.61856 -121.25110 4.36747 2.28689 -121.53989 707.55688
4275.0000 -125.27748 -119.73332 5.54416 2.37552 -120.30506 745.22398
4280.0000 -124.09545 -118.69002 5.40543 2.47617 -118.90290 835.56597
4285.0000 -125.75634 -121.00207 4.75427 2.33813 -120.82602 732.13080
4290.0000 -125.14569 -120.68501 4.46068 2.38553 -120.16563 766.76694
4295.0000 -125.85974 -120.42277 5.43697 2.34965 -120.66547 741.65787
4300.0000 -126.02538 -120.80592 5.21946 2.31733 -121.11586 722.20945
4305.0000 -125.94338 -120.77206 5.17132 2.31792 -121.10751 744.47148
4310.0000 -125.35970 -121.24998 4.10972 2.32815 -120.96504 763.33625
4315.0000 -124.56725 -118.82189 5.74536 2.36610 -120.43632 763.88286
4320.0000 -125.79579 -121.02856 4.76722 2.39917 -119.97562 795.57663
4325.0000 -125.25481 -118.95579 6.29901 2.40632 -119.87600 807.79140
4330.0000 -124.59062 -118.69373 5.89689 2.50714 -118.47144 898.95615
4335.0000 -125.94805 -120.51931 5.42874 2.42667 -119.59252 811.09081
4340.0000 -125.84338 -120.83222 5.01117 2.36637 -120.43258 791.88356
4345.0000 -126.04435 -122.03344 4.01091 2.30743 -121.25366 726.80086
4350.0000 -126.57533 -122.32594 4.24939 2.24873 -122.07157 679.85360
4355.0000 -125.97584 -120.47116 5.50468 2.30212 -121.32775 712.30318
4360.0000 -125.12081 -120.11435 5.00645 2.36128 -120.50347 771.33141
4365.0000 -126.56356 -121.57843 4.98513 2.36439 -120.46022 767.94415
4370.0000 -125.90980 -121.52236 4.38744 2.26395 -121.85951 713.03467
4375.0000 -126.04306 -120.86776 5.17530 2.28830 -121.52020 723.55365
4380.0000 -126.03163 -120.76452 5.26711 2.34063 -120.79124 736.00144
4385.0000 -126.10316 -121.07943 5.02373 2.35892 -120.53638 772.59756
4390.0000 -127.84520 -122.47363 5.37157 2.28605 -121.55163 721.50086
4395.0000 -124.53361 -119.45392 5.07969 2.31253 -121.18261 719.88460
4400.0000 -125.45045 -120.31663 5.13382 2.38753 -120.13774 733.76520
4405.0000 -124.48000 -118.70673 5.77327 2.43483 -119.47888 783.24176
4410.0000 -125.37617 -120.09378 5.28239 2.40910 -119.83727 805.94741
4415.0000 -124.33009 -119.10497 5.22512 2.39762 -119.99724 772.82176
4420.0000 -125.52971 -119.88972 5.63999 2.41547 -119.74858 807.72632
4425.0000 -126.14845 -120.23771 5.91075 2.41136 -119.80586 796.41138
4430.0000 -127.06629 -121.70686 5.35943 2.33003 -120.93883 759.19558
4435.0000 -126.12268 -120.70636 5.41632 2.30515 -121.28550 720.71572
4440.0000 -125.81903 -120.65564 5.16339 2.33926 -120.81027 754.27222
4445.0000 -125.99875 -121.54302 4.45573 2.27381 -121.72215 682.31235
4450.0000 -125.50871 -119.87284 5.63587 2.34471 -120.73430 754.66938
4455.0000 -126.70019 -121.55263 5.14756 2.35583 -120.57947 762.80289
4460.0000 -126.56775 -122.03369 4.53406 2.27235 -121.74241 685.38668
4465.0000 -125.91229 -120.41197 5.50032 2.29881 -121.37375 721.23109
4470.0000 -125.38882 -121.20229 4.18653 2.31937 -121.08744 742.68208
4475.0000 -126.55399 -122.35964 4.19435 2.23511 -122.26131 652.78657
4480.0000 -125.52767 -120.82548 4.70219 2.23734 -122.23021 641.96901
4485.0000 -125.74026 -120.09058 5.64967 2.34617 -120.71401 767.84690
4490.0000 -125.51683 -120.14682 5.37001 2.36812 -120.40821 782.84523
4495.0000 -126.48224 -121.41824 5.06400 2.37079 -120.37106 782.28968
4500.0000 -126.38599 -121.89089 4.49510 2.24378 -122.14050 685.79106
FREEZING PROCESS: loop number 19 T-loop= 719.00000000000000
main_MD> interactions number 19 at Temperature= 719.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31542 -0.01204 2.47877
force_rgl> df(natom) 2.06637 3.02091 -2.83616
4505.0000 -126.88342 -121.99664 4.88678 2.23978 -122.19624 681.97987
4510.0000 -126.25953 -122.29275 3.96677 2.23372 -122.28063 667.55774
4515.0000 -125.70555 -120.51303 5.19252 2.27918 -121.64733 715.05901
4520.0000 -126.47156 -121.88881 4.58275 2.33285 -120.89964 743.73543
4525.0000 -127.40900 -121.61308 5.79592 2.26846 -121.79657 717.08419
4530.0000 -127.15262 -121.70722 5.44540 2.27890 -121.65113 706.88747
4535.0000 -125.13333 -120.65172 4.48161 2.32184 -121.05292 738.66368
4540.0000 -126.04368 -121.13194 4.91174 2.34709 -120.70120 733.91651
4545.0000 -126.49992 -121.18878 5.31114 2.33161 -120.91690 715.38376
4550.0000 -125.87012 -121.36109 4.50904 2.30721 -121.25679 747.40554
4555.0000 -125.62421 -120.94444 4.67977 2.31445 -121.15591 725.52908
4560.0000 -126.67965 -122.57390 4.10575 2.27137 -121.75606 694.57447
4565.0000 -127.07769 -121.55102 5.52667 2.22280 -122.43276 674.85104
4570.0000 -126.25184 -121.10101 5.15083 2.32890 -120.95462 736.68408
4575.0000 -126.52763 -121.54150 4.98613 2.29743 -121.39301 739.49924
4580.0000 -126.64490 -122.12606 4.51883 2.24894 -122.06862 681.86677
4585.0000 -127.26882 -121.36298 5.90584 2.23380 -122.27949 677.65475
4590.0000 -126.37911 -121.00161 5.37750 2.30095 -121.34398 715.09803
4595.0000 -126.76102 -121.67002 5.09100 2.25463 -121.98934 696.87693
4600.0000 -126.02392 -120.49195 5.53197 2.26124 -121.89727 689.94432
4605.0000 -126.48177 -121.63726 4.84450 2.30660 -121.26526 727.91075
4610.0000 -127.69266 -123.95179 3.74087 2.21621 -122.52455 659.39485
4615.0000 -126.53607 -122.31789 4.21818 2.15805 -123.33486 625.19539
4620.0000 -126.66720 -121.71266 4.95454 2.25952 -121.92113 688.19355
4625.0000 -125.92064 -121.62225 4.29839 2.29468 -121.43136 692.91252
4630.0000 -126.03932 -121.51387 4.52544 2.29941 -121.36545 684.07040
4635.0000 -125.82659 -121.00703 4.81956 2.31912 -121.09088 745.12266
4640.0000 -126.18719 -121.41468 4.77251 2.30597 -121.27405 737.43590
4645.0000 -126.51247 -121.08717 5.42530 2.31850 -121.09944 771.75257
4650.0000 -126.02312 -120.78821 5.23491 2.32068 -121.06910 730.91559
4655.0000 -124.71195 -119.89654 4.81542 2.40056 -119.95627 751.53422
4660.0000 -126.45341 -120.86822 5.58518 2.36708 -120.42264 780.15110
4665.0000 -126.93639 -122.01628 4.92011 2.32747 -120.97450 746.57318
4670.0000 -126.62945 -122.07895 4.55050 2.27306 -121.73256 704.98758
4675.0000 -126.74755 -122.40128 4.34627 2.21295 -122.56996 658.02793
4680.0000 -126.48885 -120.83846 5.65038 2.29091 -121.48391 719.94582
4685.0000 -126.09210 -121.17037 4.92172 2.33100 -120.92534 744.71818
4690.0000 -126.06582 -121.05229 5.01353 2.34285 -120.76021 741.60405
4695.0000 -126.73986 -121.95168 4.78818 2.30235 -121.32447 735.10786
4700.0000 -125.92273 -121.26765 4.65507 2.25383 -122.00044 692.14722
4705.0000 -125.92935 -120.54782 5.38153 2.33382 -120.88602 746.77713
4710.0000 -125.41494 -121.18655 4.22839 2.34625 -120.71294 751.27242
4715.0000 -126.05381 -121.23985 4.81396 2.32147 -121.05816 744.28736
4720.0000 -126.54443 -121.80587 4.73856 2.32875 -120.95664 739.62057
4725.0000 -127.48907 -122.93261 4.55646 2.21755 -122.50584 646.59097
4730.0000 -127.63135 -122.75616 4.87519 2.20777 -122.64208 643.08947
4735.0000 -126.77227 -121.95673 4.81554 2.24435 -122.13256 677.28275
4740.0000 -125.76828 -120.57775 5.19052 2.27602 -121.69131 685.10043
4745.0000 -125.85788 -121.35325 4.50463 2.32419 -121.02019 733.03843
4750.0000 -126.43473 -122.38301 4.05173 2.27997 -121.63626 685.76024
FREEZING PROCESS: loop number 20 T-loop= 694.00000000000000
main_MD> interactions number 20 at Temperature= 694.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43151 1.52272 0.86580
force_rgl> df(natom) 2.08969 1.33274 1.58874
4755.0000 -127.03732 -122.57863 4.45869 2.24471 -122.12745 663.65888
4760.0000 -126.80118 -122.04933 4.75186 2.24756 -122.08774 672.86823
4765.0000 -127.64546 -122.94602 4.69944 2.21225 -122.57974 662.45332
4770.0000 -126.41479 -121.72256 4.69222 2.26411 -121.85728 706.82038
4775.0000 -126.07620 -120.86337 5.21283 2.30025 -121.35378 713.94698
4780.0000 -126.37988 -121.97637 4.40350 2.30083 -121.34564 716.69166
4785.0000 -125.45677 -121.21855 4.23823 2.25246 -122.01955 682.12677
4790.0000 -126.07316 -121.83545 4.23770 2.28158 -121.61382 700.85239
4795.0000 -125.57087 -120.12265 5.44821 2.32299 -121.03697 727.14385
4800.0000 -126.46630 -121.71334 4.75296 2.32300 -121.03673 757.56980
4805.0000 -126.18353 -120.29398 5.88955 2.33167 -120.91603 796.79047
4810.0000 -126.10454 -121.48130 4.62324 2.30288 -121.31707 752.09855
4815.0000 -125.95942 -121.35898 4.60044 2.31185 -121.19210 732.61953
4820.0000 -126.88119 -122.09462 4.78657 2.27720 -121.67480 727.09929
4825.0000 -126.28383 -122.11036 4.17347 2.25280 -122.01481 700.53305
4830.0000 -127.56039 -123.25869 4.30170 2.22750 -122.36726 697.70544
4835.0000 -127.20544 -122.06356 5.14188 2.21492 -122.54254 653.41892
4840.0000 -127.22471 -123.01914 4.20557 2.21670 -122.51767 659.94106
4845.0000 -126.38567 -121.41277 4.97290 2.26632 -121.82650 714.68099
4850.0000 -126.21378 -120.51034 5.70344 2.29261 -121.46016 715.11120
4855.0000 -126.52817 -120.07895 6.44922 2.33931 -120.80959 786.66310
4860.0000 -127.39988 -122.39692 5.00296 2.27860 -121.65539 708.30776
4865.0000 -126.76176 -122.95373 3.80802 2.25197 -122.02637 673.78300
4870.0000 -127.19183 -123.07654 4.11528 2.15950 -123.31456 606.08736
4875.0000 -126.64527 -122.60775 4.03752 2.19777 -122.78142 641.56064
4880.0000 -126.07147 -121.72132 4.35015 2.26699 -121.81710 683.56969
4885.0000 -126.32259 -121.47014 4.85245 2.26686 -121.81893 699.32590
4890.0000 -125.80398 -121.04752 4.75647 2.31583 -121.13666 731.38318
4895.0000 -127.23963 -121.27311 5.96652 2.33996 -120.80046 768.36944
4900.0000 -126.86225 -121.51160 5.35064 2.31744 -121.11427 738.40050
4905.0000 -126.77631 -121.52364 5.25266 2.30681 -121.26236 734.46667
4910.0000 -126.89451 -121.91510 4.97940 2.26119 -121.89788 691.39472
4915.0000 -127.42499 -121.96697 5.45802 2.25384 -122.00034 685.29036
4920.0000 -126.29376 -122.12128 4.17248 2.25978 -121.91762 696.65710
4925.0000 -126.06035 -122.83868 3.22167 2.22899 -122.34647 650.09543
4930.0000 -127.49002 -122.37748 5.11254 2.19255 -122.85417 621.20961
4935.0000 -126.85515 -121.75679 5.09837 2.24267 -122.15590 677.35840
4940.0000 -125.90656 -121.64962 4.25694 2.25177 -122.02921 665.44619
4945.0000 -125.56799 -121.43477 4.13322 2.28849 -121.51755 696.19200
4950.0000 -126.90651 -121.51372 5.39279 2.28854 -121.51686 709.01086
4955.0000 -127.01792 -122.67236 4.34557 2.23670 -122.23916 696.05563
4960.0000 -126.47550 -121.12836 5.34713 2.26692 -121.81806 722.93194
4965.0000 -126.72360 -121.96003 4.76357 2.28911 -121.50892 741.61348
4970.0000 -126.63997 -122.43997 4.20000 2.22074 -122.46146 648.34856
4975.0000 -126.89819 -121.65198 5.24621 2.23183 -122.30692 626.82204
4980.0000 -125.57206 -120.69329 4.87877 2.31166 -121.19479 739.32609
4985.0000 -126.18779 -121.61657 4.57122 2.28135 -121.61708 730.52730
4990.0000 -126.14427 -120.45255 5.69172 2.32066 -121.06939 746.51737
4995.0000 -126.39303 -120.72308 5.66995 2.35250 -120.62575 766.14859
5000.0000 -126.13944 -121.07903 5.06041 2.33146 -120.91901 767.16732
FREEZING PROCESS: loop number 21 T-loop= 669.00000000000000
main_MD> interactions number 21 at Temperature= 669.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77770 1.10374 -1.06183
force_rgl> df(natom) 0.08691 0.37987 -1.86940
5005.0000 -126.15205 -121.36895 4.78310 2.32572 -120.99885 739.70324
5010.0000 -126.39396 -122.11734 4.27662 2.29485 -121.42901 699.26699
5015.0000 -126.27730 -121.84440 4.43291 2.23706 -122.23402 675.35771
5020.0000 -127.40069 -123.32898 4.07170 2.21615 -122.52546 673.15206
5025.0000 -128.08777 -123.53636 4.55141 2.14694 -123.48967 615.34198
5030.0000 -128.31520 -124.12834 4.18687 2.11282 -123.96499 582.92480
5035.0000 -126.62440 -122.40437 4.22003 2.15405 -123.39052 602.25039
5040.0000 -127.57580 -122.77328 4.80253 2.20678 -122.65599 655.94340
5045.0000 -126.56233 -121.85253 4.70979 2.21933 -122.48103 652.24033
5050.0000 -126.36650 -122.49585 3.87065 2.25071 -122.04387 700.51150
5055.0000 -126.80835 -122.36265 4.44570 2.21718 -122.51107 649.30430
5060.0000 -126.79791 -122.37292 4.42499 2.22493 -122.40301 648.28059
5065.0000 -126.26598 -121.29622 4.96976 2.22600 -122.38818 667.33118
5070.0000 -126.87038 -121.89874 4.97165 2.26300 -121.87271 715.01547
5075.0000 -126.24083 -121.58898 4.65185 2.23883 -122.20936 699.36989
5080.0000 -126.16881 -121.76797 4.40084 2.27570 -121.69575 705.40089
5085.0000 -125.91358 -122.63034 3.28324 2.26776 -121.80636 707.94646
5090.0000 -126.38174 -122.12272 4.25902 2.21955 -122.47797 657.47631
5095.0000 -126.58217 -122.25511 4.32706 2.20238 -122.71718 622.60457
5100.0000 -126.35567 -122.57485 3.78082 2.24456 -122.12961 677.53663
5105.0000 -126.77718 -121.72057 5.05661 2.27332 -121.72889 739.16267
5110.0000 -126.69683 -122.36511 4.33172 2.23441 -122.27105 664.46292
5115.0000 -126.19097 -121.53900 4.65197 2.27176 -121.75070 708.33501
5120.0000 -126.22364 -121.02600 5.19763 2.33194 -120.91219 717.89339
5125.0000 -127.34994 -122.78065 4.56928 2.23354 -122.28319 682.13458
5130.0000 -127.31742 -123.44548 3.87194 2.23317 -122.28834 664.39094
5135.0000 -127.07018 -121.50567 5.56451 2.22492 -122.40317 641.71806
5140.0000 -126.91397 -121.81148 5.10249 2.28889 -121.51208 706.68883
5145.0000 -127.10744 -121.96972 5.13772 2.24980 -122.05654 714.47934
5150.0000 -126.24382 -122.19420 4.04962 2.25712 -121.95467 703.14107
5155.0000 -127.86944 -123.37195 4.49750 2.18298 -122.98750 629.88003
5160.0000 -127.06581 -123.20681 3.85900 2.15509 -123.37609 608.03841
5165.0000 -126.68269 -121.95425 4.72843 2.23061 -122.32390 677.85532
5170.0000 -127.00727 -122.09376 4.91351 2.25701 -121.95620 672.59671
5175.0000 -126.76888 -123.23757 3.53130 2.25523 -121.98089 703.90830
5180.0000 -126.98348 -122.14023 4.84326 2.19931 -122.76004 648.08212
5185.0000 -126.23570 -122.33943 3.89627 2.26084 -121.90275 663.04940
5190.0000 -126.42652 -121.72584 4.70068 2.24887 -122.06955 683.79533
5195.0000 -126.58155 -121.57649 5.00506 2.25872 -121.93235 669.80607
5200.0000 -125.96453 -120.93862 5.02591 2.31204 -121.18953 730.46241
5205.0000 -126.38223 -122.36581 4.01642 2.28342 -121.58821 709.40653
5210.0000 -127.24326 -122.94508 4.29818 2.22160 -122.44944 647.98245
5215.0000 -127.21997 -122.70100 4.51897 2.20754 -122.64533 652.90794
5220.0000 -126.92115 -122.52723 4.39392 2.18598 -122.94575 670.24847
5225.0000 -127.38332 -122.96609 4.41723 2.19676 -122.79550 645.12964
5230.0000 -126.99555 -122.86504 4.13051 2.23942 -122.20117 704.08254
5235.0000 -126.99175 -122.23410 4.75765 2.20530 -122.67651 653.74004
5240.0000 -127.44268 -123.39727 4.04541 2.19502 -122.81982 639.94364
5245.0000 -127.91065 -123.40096 4.50969 2.15875 -123.32506 616.69575
5250.0000 -126.61290 -121.52070 5.09220 2.20690 -122.65432 651.46782
FREEZING PROCESS: loop number 22 T-loop= 644.00000000000000
main_MD> interactions number 22 at Temperature= 644.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40184 1.40849 0.89399
force_rgl> df(natom) -0.64144 0.34765 0.12577
5255.0000 -126.78189 -123.17314 3.60876 2.22301 -122.42984 695.57114
5260.0000 -127.32437 -121.79108 5.53329 2.22435 -122.41122 679.53267
5265.0000 -127.12235 -122.10530 5.01704 2.29547 -121.42038 743.03306
5270.0000 -127.38117 -123.46326 3.91791 2.18589 -122.94690 642.01211
5275.0000 -127.53905 -123.36153 4.17752 2.16273 -123.26964 629.45468
5280.0000 -127.40321 -123.69750 3.70571 2.14781 -123.47749 612.19950
5285.0000 -127.28178 -123.67789 3.60389 2.10030 -124.13942 588.52828
5290.0000 -127.52151 -124.66700 2.85452 2.08989 -124.28439 591.04603
5295.0000 -127.90561 -123.79945 4.10616 2.09033 -124.27827 560.91845
5300.0000 -127.66902 -122.73394 4.93509 2.20113 -122.73464 655.45254
5305.0000 -125.60966 -121.29322 4.31644 2.24776 -122.08506 669.02049
5310.0000 -126.88460 -121.72830 5.15630 2.26741 -121.81126 678.93021
5315.0000 -125.92694 -122.04833 3.87860 2.23531 -122.25840 674.43304
5320.0000 -126.86587 -122.00025 4.86562 2.26486 -121.84685 696.94311
5325.0000 -127.09138 -123.11966 3.97171 2.21635 -122.52266 659.02976
5330.0000 -127.57100 -123.53314 4.03785 2.18106 -123.01419 654.45362
5335.0000 -126.72863 -123.38550 3.34313 2.15350 -123.39815 588.66682
5340.0000 -126.74847 -122.36805 4.38042 2.18957 -122.89571 635.33124
5345.0000 -126.82608 -121.79083 5.03525 2.22391 -122.41724 692.98723
5350.0000 -127.27661 -122.94237 4.33425 2.23187 -122.30644 665.04681
5355.0000 -127.03077 -123.19672 3.83406 2.19411 -122.83242 654.76521
5360.0000 -126.71476 -122.96552 3.74924 2.19932 -122.75989 660.96534
5365.0000 -127.34107 -123.18209 4.15898 2.19638 -122.80080 641.37501
5370.0000 -126.67121 -122.78623 3.88499 2.19253 -122.85441 645.40504
5375.0000 -127.61354 -123.40257 4.21097 2.17923 -123.03972 660.45418
5380.0000 -128.14152 -124.75155 3.38998 2.09701 -124.18515 547.28796
5385.0000 -129.42020 -125.22842 4.19178 2.07160 -124.53925 558.69538
5390.0000 -128.24719 -124.34905 3.89815 2.06060 -124.69243 552.86018
5395.0000 -129.08022 -126.03508 3.04514 2.04300 -124.93760 555.11380
5400.0000 -127.43481 -123.61050 3.82432 2.02914 -125.13079 532.73806
5405.0000 -127.54831 -122.81356 4.73475 2.16407 -123.25093 630.64165
5410.0000 -126.75412 -122.63421 4.11991 2.19977 -122.75354 672.94950
5415.0000 -126.07357 -122.02310 4.05047 2.21430 -122.55123 659.14537
5420.0000 -127.35253 -122.85273 4.49979 2.25265 -122.01686 688.64606
5425.0000 -127.43792 -123.18448 4.25344 2.16999 -123.16848 619.69663
5430.0000 -127.35570 -123.08591 4.26979 2.16938 -123.17704 633.12836
5435.0000 -127.73455 -122.49025 5.24430 2.17622 -123.08172 639.17903
5440.0000 -128.50066 -124.71003 3.79063 2.13151 -123.70457 597.34792
5445.0000 -127.65849 -123.35485 4.30363 2.13297 -123.68420 599.64028
5450.0000 -126.84033 -122.87977 3.96056 2.18248 -122.99442 628.14349
5455.0000 -126.82098 -122.13001 4.69098 2.22306 -122.42918 673.28942
5460.0000 -126.58012 -122.81205 3.76807 2.21896 -122.48623 647.21080
5465.0000 -127.55241 -122.68115 4.87126 2.20485 -122.68281 657.15462
5470.0000 -126.18007 -122.31489 3.86518 2.23275 -122.29411 635.96299
5475.0000 -128.03814 -123.42248 4.61566 2.21072 -122.60099 676.79990
5480.0000 -126.93786 -123.38972 3.54814 2.17181 -123.14309 639.86290
5485.0000 -127.29817 -122.77075 4.52743 2.14301 -123.54431 618.63664
5490.0000 -128.11658 -123.95639 4.16019 2.19474 -122.82369 677.94681
5495.0000 -129.12243 -124.40387 4.71856 2.10074 -124.13320 623.84705
5500.0000 -127.97122 -123.63846 4.33276 2.11198 -123.97668 625.73730
FREEZING PROCESS: loop number 23 T-loop= 619.00000000000000
main_MD> interactions number 23 at Temperature= 619.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.80982 1.73794 -0.72544
force_rgl> df(natom) -1.93577 -0.06738 1.23831
5505.0000 -128.52910 -124.07053 4.45858 2.11760 -123.89831 648.54454
5510.0000 -128.58876 -124.82437 3.76439 2.09859 -124.16319 646.19990
5515.0000 -128.58021 -125.71975 2.86046 2.03996 -124.97997 588.78738
5520.0000 -127.65249 -124.37508 3.27741 2.03150 -125.09791 520.51913
5525.0000 -128.22737 -124.60537 3.62200 2.07568 -124.48241 554.31718
5530.0000 -127.13572 -123.34054 3.79517 2.11061 -123.99574 583.22647
5535.0000 -126.65780 -121.96565 4.69215 2.21349 -122.56246 662.05870
5540.0000 -127.69827 -123.29993 4.39834 2.17084 -123.15662 622.88759
5545.0000 -127.48399 -123.66031 3.82368 2.12573 -123.78509 578.17507
5550.0000 -127.09019 -122.39247 4.69772 2.19312 -122.84618 629.25527
5555.0000 -127.22413 -123.03527 4.18886 2.21797 -122.50008 628.73150
5560.0000 -127.57010 -122.78954 4.78056 2.19915 -122.76221 621.72989
5565.0000 -125.97734 -121.91554 4.06180 2.22121 -122.45490 642.68941
5570.0000 -127.29133 -123.04363 4.24769 2.26255 -121.87898 687.32503
5575.0000 -127.14903 -123.15979 3.98924 2.14105 -123.57170 623.11846
5580.0000 -127.91012 -123.65205 4.25807 2.19880 -122.76711 639.29158
5585.0000 -127.92420 -122.99104 4.93316 2.12216 -123.83486 611.84720
5590.0000 -126.44446 -122.08397 4.36049 2.20093 -122.73741 673.65963
5595.0000 -127.27153 -123.66239 3.60914 2.19101 -122.87569 655.28998
5600.0000 -127.73310 -124.47847 3.25463 2.10286 -124.10366 581.43891
5605.0000 -127.47670 -122.54498 4.93172 2.08936 -124.29181 574.23956
5610.0000 -127.43794 -122.83139 4.60655 2.17476 -123.10197 631.63650
5615.0000 -128.28592 -123.70157 4.58435 2.12666 -123.77209 609.25810
5620.0000 -127.43885 -123.97243 3.46642 2.13241 -123.69203 660.87475
5625.0000 -128.78169 -124.13737 4.64432 2.07908 -124.43499 598.24709
5630.0000 -127.96944 -124.22953 3.73990 2.08438 -124.36115 564.46975
5635.0000 -127.32741 -122.12840 5.19901 2.14633 -123.49811 617.19042
5640.0000 -126.21091 -122.39544 3.81547 2.23582 -122.25132 699.29348
5645.0000 -126.16913 -121.39179 4.77734 2.26642 -121.82503 706.79976
5650.0000 -127.54334 -123.32398 4.21936 2.23043 -122.32647 688.74158
5655.0000 -126.86504 -122.46391 4.40113 2.19151 -122.86869 656.46731
5660.0000 -127.95248 -122.77157 5.18090 2.19724 -122.78884 660.49809
5665.0000 -127.24326 -123.33815 3.90512 2.15012 -123.44530 615.68139
5670.0000 -126.63041 -122.64364 3.98677 2.16975 -123.17184 626.20768
5675.0000 -126.91706 -122.57102 4.34604 2.22001 -122.47160 682.65377
5680.0000 -126.61401 -122.39841 4.21560 2.20510 -122.67933 629.28337
5685.0000 -127.35004 -122.82569 4.52435 2.21478 -122.54450 659.75104
5690.0000 -127.68113 -124.17530 3.50583 2.13789 -123.61570 576.98962
5695.0000 -127.68619 -123.33490 4.35129 2.10753 -124.03864 570.87818
5700.0000 -128.06506 -123.14294 4.92211 2.16289 -123.26741 625.52616
5705.0000 -127.12087 -123.96709 3.15378 2.11906 -123.87795 577.39011
5710.0000 -127.87220 -123.78547 4.08673 2.12930 -123.73530 595.18809
5715.0000 -128.19115 -124.03725 4.15391 2.08240 -124.38879 544.70410
5720.0000 -127.20936 -123.06413 4.14523 2.15696 -123.34999 616.36449
5725.0000 -127.57977 -123.72312 3.85664 2.16336 -123.26079 593.31217
5730.0000 -128.03358 -123.29473 4.73885 2.17341 -123.12083 620.30154
5735.0000 -127.98415 -123.43936 4.54478 2.14107 -123.57141 595.77408
5740.0000 -128.31678 -123.28831 5.02848 2.19074 -122.87939 684.78040
5745.0000 -127.30239 -122.57343 4.72896 2.16332 -123.26145 614.51747
5750.0000 -127.15650 -122.96163 4.19487 2.17167 -123.14514 636.67248
FREEZING PROCESS: loop number 24 T-loop= 594.00000000000000
main_MD> interactions number 24 at Temperature= 594.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.49044 -0.96001 -0.29254
force_rgl> df(natom) 1.66615 -1.16370 1.58820
5755.0000 -127.26549 -123.52419 3.74130 2.16112 -123.29210 643.05645
5760.0000 -127.51864 -123.65249 3.86615 2.12817 -123.75107 588.52805
5765.0000 -128.43112 -123.90977 4.52135 2.13558 -123.64782 612.32271
5770.0000 -128.93620 -125.20407 3.73213 2.05862 -124.72001 536.30987
5775.0000 -128.06332 -124.85434 3.20899 2.05194 -124.81307 541.03829
5780.0000 -128.85957 -124.63647 4.22310 2.06072 -124.69079 541.41742
5785.0000 -127.99086 -124.04661 3.94425 2.08120 -124.40552 561.46804
5790.0000 -127.16291 -123.24253 3.92038 2.14118 -123.56979 581.44990
5795.0000 -127.25296 -123.08593 4.16703 2.14698 -123.48909 595.26153
5800.0000 -127.80528 -123.23267 4.57260 2.18660 -122.93715 616.08338
5805.0000 -127.29295 -123.74134 3.55161 2.15476 -123.38061 634.32836
5810.0000 -127.13859 -123.34526 3.79333 2.17173 -123.14427 616.62806
5815.0000 -126.63263 -121.82981 4.80281 2.20329 -122.70456 659.19344
5820.0000 -127.68065 -122.80665 4.87400 2.17200 -123.14050 625.50224
5825.0000 -127.19915 -122.36700 4.83215 2.19380 -122.83670 653.08334
5830.0000 -126.59731 -121.85939 4.73792 2.24180 -122.16809 665.58018
5835.0000 -126.58905 -121.94488 4.64417 2.25443 -121.99209 676.67863
5840.0000 -127.02268 -122.75580 4.26688 2.22156 -122.45003 666.78875
5845.0000 -126.74968 -122.38508 4.36460 2.22935 -122.34157 653.01297
5850.0000 -126.06857 -122.22261 3.84596 2.24760 -122.08726 698.52174
5855.0000 -126.75222 -122.98852 3.76370 2.20218 -122.71997 617.63687
5860.0000 -127.16523 -122.76771 4.39752 2.19854 -122.77077 631.31384
5865.0000 -127.53547 -123.54151 3.99397 2.17411 -123.11109 622.04185
5870.0000 -127.56604 -123.63362 3.93241 2.14178 -123.56156 613.02747
5875.0000 -128.46161 -124.57310 3.88851 2.10862 -124.02343 605.53089
5880.0000 -128.15443 -124.12650 4.02793 2.06143 -124.68092 561.15357
5885.0000 -126.86326 -122.92818 3.93508 2.14814 -123.47284 589.60485
5890.0000 -126.79059 -122.96659 3.82401 2.15919 -123.31899 591.51275
5895.0000 -127.62140 -123.15827 4.46313 2.17096 -123.15494 627.23313
5900.0000 -128.24146 -124.13019 4.11127 2.14164 -123.56343 618.97703
5905.0000 -128.44336 -124.28479 4.15857 2.08558 -124.34439 616.73159
5910.0000 -128.11268 -124.05120 4.06148 2.09222 -124.25190 600.09477
5915.0000 -128.06994 -124.17811 3.89183 2.12523 -123.79202 601.03754
5920.0000 -127.72401 -124.32439 3.39962 2.07079 -124.55056 569.78944
5925.0000 -127.52565 -123.88728 3.63837 2.14324 -123.54119 615.70321
5930.0000 -128.69542 -124.94248 3.75294 2.06003 -124.70036 554.80588
5935.0000 -128.14119 -124.30450 3.83669 2.08712 -124.32298 602.57634
5940.0000 -127.25816 -123.34522 3.91294 2.12114 -123.84904 616.35519
5945.0000 -128.03238 -124.42270 3.60968 2.10413 -124.08597 580.25335
5950.0000 -127.68149 -123.30530 4.37619 2.10669 -124.05030 555.47547
5955.0000 -127.91406 -123.80042 4.11365 2.15214 -123.41719 598.44202
5960.0000 -126.44979 -122.23889 4.21089 2.20009 -122.74908 641.49979
5965.0000 -127.32440 -123.30147 4.02292 2.18611 -122.94390 608.20894
5970.0000 -127.36000 -123.62859 3.73141 2.13808 -123.61309 584.17383
5975.0000 -126.93412 -123.25183 3.68229 2.10120 -124.12683 564.55569
5980.0000 -126.67431 -122.85751 3.81680 2.16809 -123.19496 594.14848
5985.0000 -127.43405 -123.42568 4.00836 2.14952 -123.45370 623.48034
5990.0000 -128.58374 -125.16270 3.42104 2.13300 -123.68381 633.58027
5995.0000 -128.30098 -124.75237 3.54861 2.03081 -125.10750 517.88918
6000.0000 -128.21885 -123.96886 4.24999 2.07524 -124.48844 567.09483
FREEZING PROCESS: loop number 25 T-loop= 569.00000000000000
main_MD> interactions number 25 at Temperature= 569.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54429 1.31084 2.45262
force_rgl> df(natom) -1.77578 -1.88703 0.54021
6005.0000 -127.86820 -124.05767 3.81054 2.10832 -124.02762 587.25976
6010.0000 -128.17100 -123.80831 4.36269 2.08722 -124.32163 564.62860
6015.0000 -128.66630 -124.19930 4.46700 2.10082 -124.13209 587.71678
6020.0000 -128.09521 -124.33610 3.75912 2.11036 -123.99923 579.73172
6025.0000 -127.65721 -122.81992 4.83729 2.08959 -124.28853 554.06862
6030.0000 -127.47608 -123.70379 3.77229 2.11422 -123.94546 555.69269
6035.0000 -128.73738 -124.67816 4.05922 2.01978 -125.26118 501.05971
6040.0000 -128.09634 -124.31517 3.78117 2.04285 -124.93969 530.94902
6045.0000 -128.15869 -124.40672 3.75197 2.10763 -124.03720 545.10892
6050.0000 -127.48386 -123.09922 4.38465 2.13989 -123.58789 587.57696
6055.0000 -128.26235 -124.28027 3.98208 2.11318 -123.95988 581.71246
6060.0000 -127.91426 -123.69466 4.21960 2.09780 -124.17426 562.66536
6065.0000 -127.33286 -123.81840 3.51446 2.11705 -123.90599 577.58341
6070.0000 -127.61483 -124.30109 3.31373 2.09988 -124.14521 562.17972
6075.0000 -128.69998 -124.49607 4.20391 2.09918 -124.15492 566.59753
6080.0000 -128.02862 -124.24928 3.77934 2.08862 -124.30214 562.36722
6085.0000 -128.04712 -124.74500 3.30212 2.06989 -124.56307 530.92232
6090.0000 -127.64033 -123.90065 3.73968 2.10991 -124.00548 547.77735
6095.0000 -128.39361 -124.84337 3.55023 2.07147 -124.54108 524.40943
6100.0000 -127.33489 -124.35262 2.98227 2.08117 -124.40583 552.20373
6105.0000 -127.87850 -124.14747 3.73103 2.08019 -124.41949 554.77801
6110.0000 -128.33951 -124.72435 3.61516 2.07399 -124.50594 575.44696
6115.0000 -128.16517 -124.14143 4.02374 2.07216 -124.53135 553.14742
6120.0000 -127.41275 -123.02750 4.38525 2.16588 -123.22579 620.09855
6125.0000 -127.11206 -122.87034 4.24172 2.16165 -123.28461 625.63785
6130.0000 -128.37502 -124.72820 3.64682 2.09505 -124.21248 577.91834
6135.0000 -129.37350 -125.63721 3.73629 2.01643 -125.30777 540.67602
6140.0000 -129.47782 -126.47339 3.00443 1.95981 -126.09667 471.03383
6145.0000 -128.30301 -124.10652 4.19650 2.01231 -125.36517 509.41562
6150.0000 -128.30551 -124.15483 4.15068 2.09015 -124.28082 591.90878
6155.0000 -127.34702 -124.09448 3.25254 2.08721 -124.32172 582.01683
6160.0000 -127.19959 -123.33019 3.86939 2.13971 -123.59036 607.24204
6165.0000 -128.17036 -123.89600 4.27436 2.16724 -123.20676 625.75787
6170.0000 -127.95287 -124.08269 3.87017 2.12858 -123.74538 569.41886
6175.0000 -127.37509 -123.62025 3.75484 2.12796 -123.75406 581.86773
6180.0000 -128.63885 -124.76018 3.87867 2.11494 -123.93542 583.67578
6185.0000 -127.93849 -123.74669 4.19180 2.08597 -124.33909 557.92692
6190.0000 -128.35813 -124.74727 3.61086 2.07136 -124.54257 557.17802
6195.0000 -128.17098 -123.95280 4.21817 2.08129 -124.40417 568.85968
6200.0000 -128.67606 -124.88774 3.78832 2.09547 -124.20661 583.89601
6205.0000 -127.85859 -124.17787 3.68072 2.07200 -124.53365 568.74060
6210.0000 -128.44572 -124.34830 4.09742 2.07192 -124.53480 548.82689
6215.0000 -128.88059 -124.17873 4.70186 2.08856 -124.30294 578.97809
6220.0000 -128.75485 -125.28875 3.46610 2.06753 -124.59594 551.49001
6225.0000 -128.48644 -125.43651 3.04992 2.01903 -125.27160 507.23757
6230.0000 -128.64355 -124.58359 4.05995 2.04874 -124.85774 555.82881
6235.0000 -128.15136 -124.64301 3.50835 2.02481 -125.19102 537.26626
6240.0000 -128.33894 -123.94293 4.39600 2.11013 -124.00247 589.16823
6245.0000 -127.75570 -124.15921 3.59648 2.09573 -124.20302 589.64533
6250.0000 -127.47783 -124.37686 3.10097 2.09570 -124.20344 563.08093
FREEZING PROCESS: loop number 26 T-loop= 544.00000000000000
main_MD> interactions number 26 at Temperature= 544.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02426 0.53933 0.07347
force_rgl> df(natom) 0.91248 -3.23596 -2.28486
6255.0000 -128.67697 -125.41649 3.26048 2.07061 -124.55296 561.09520
6260.0000 -128.22025 -124.75832 3.46193 2.01946 -125.26562 500.57816
6265.0000 -129.00689 -125.44538 3.56151 2.04702 -124.88171 539.60648
6270.0000 -128.37350 -124.81319 3.56031 2.01261 -125.36107 519.86215
6275.0000 -127.45904 -123.71803 3.74100 2.08670 -124.32890 542.75332
6280.0000 -128.02397 -124.51733 3.50664 2.08226 -124.39074 550.72772
6285.0000 -128.21951 -124.60591 3.61361 2.06019 -124.69817 544.23367
6290.0000 -128.80609 -124.71359 4.09251 2.06879 -124.57832 545.52477
6295.0000 -128.93044 -124.81247 4.11797 2.05622 -124.75352 568.61425
6300.0000 -128.69141 -124.73963 3.95178 2.04561 -124.90134 576.42433
6305.0000 -129.59823 -125.93472 3.66351 1.99502 -125.60608 519.63036
6310.0000 -129.21801 -125.60779 3.61022 1.97769 -125.84758 499.79995
6315.0000 -129.11959 -126.11640 3.00319 1.99491 -125.60763 531.86483
6320.0000 -129.48303 -125.87822 3.60481 1.97008 -125.95349 511.65065
6325.0000 -128.81134 -125.46325 3.34810 2.00795 -125.42591 521.70399
6330.0000 -128.89283 -124.91895 3.97388 2.00731 -125.43488 505.85495
6335.0000 -128.84790 -125.47638 3.37152 2.01652 -125.30654 493.89305
6340.0000 -128.35890 -125.03012 3.32877 2.01645 -125.30751 488.08479
6345.0000 -128.84586 -125.24666 3.59920 2.02421 -125.19941 500.54846
6350.0000 -129.15370 -125.10739 4.04631 2.04203 -124.95113 561.53842
6355.0000 -127.48433 -124.03622 3.44811 2.05221 -124.80941 543.82202
6360.0000 -128.35986 -124.78501 3.57486 2.08387 -124.36822 549.74014
6365.0000 -128.62944 -125.17305 3.45639 2.03855 -124.99965 547.24230
6370.0000 -128.78371 -125.23232 3.55139 2.08721 -124.32178 557.59268
6375.0000 -128.75109 -125.61631 3.13478 2.01627 -125.31002 543.73606
6380.0000 -129.22038 -125.98195 3.23843 1.98395 -125.76035 509.50558
6385.0000 -128.49606 -125.17636 3.31971 2.01454 -125.33411 530.67832
6390.0000 -128.72557 -125.12079 3.60479 2.00464 -125.47204 525.80099
6395.0000 -128.43101 -124.35656 4.07445 2.07747 -124.45750 558.78116
6400.0000 -128.90244 -125.32672 3.57572 2.04447 -124.91724 548.57863
6405.0000 -128.86022 -125.81966 3.04056 2.00890 -125.41275 504.31815
6410.0000 -128.40451 -124.56356 3.84095 2.01118 -125.38091 501.55234
6415.0000 -128.36519 -124.26873 4.09647 2.04959 -124.84586 500.36801
6420.0000 -128.29681 -124.99298 3.30383 2.05592 -124.75765 518.47523
6425.0000 -129.04853 -125.75081 3.29772 2.02928 -125.12876 503.58655
6430.0000 -128.01914 -124.06681 3.95234 2.02630 -125.17028 513.82416
6435.0000 -128.30516 -124.83008 3.47509 2.08629 -124.33454 555.58153
6440.0000 -128.82424 -124.73217 4.09207 2.05248 -124.80555 541.81719
6445.0000 -129.86628 -125.58886 4.27742 2.05873 -124.71855 563.85139
6450.0000 -129.33048 -125.64420 3.68628 2.00593 -125.45411 537.78469
6455.0000 -129.23586 -125.21925 4.01662 2.02088 -125.24586 537.30319
6460.0000 -129.29433 -125.49694 3.79739 2.03495 -125.04985 556.57536
6465.0000 -128.44943 -124.52572 3.92371 2.05105 -124.82551 565.73322
6470.0000 -128.34483 -124.98427 3.36055 2.06282 -124.66153 542.24120
6475.0000 -128.35396 -125.08849 3.26547 2.04662 -124.88726 545.40387
6480.0000 -128.49677 -124.60117 3.89560 2.07760 -124.45565 557.15930
6485.0000 -128.61459 -125.94274 2.67185 2.00680 -125.44192 495.22631
6490.0000 -129.17042 -125.81086 3.35955 1.97480 -125.88780 466.58632
6495.0000 -128.91593 -126.03014 2.88579 1.96969 -125.95901 492.50380
6500.0000 -128.91487 -125.65813 3.25674 1.98588 -125.73349 485.24302
FREEZING PROCESS: loop number 27 T-loop= 519.00000000000000
main_MD> interactions number 27 at Temperature= 519.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22525 2.56141 2.47561
force_rgl> df(natom) -0.07562 -1.03831 -0.58361
6505.0000 -129.27620 -125.51676 3.75944 1.98082 -125.80398 481.96000
6510.0000 -129.90188 -126.32892 3.57296 1.98556 -125.73786 491.00005
6515.0000 -128.74287 -124.68834 4.05453 1.98700 -125.71777 512.13019
6520.0000 -128.46794 -124.06145 4.40649 2.09331 -124.23682 583.44254
6525.0000 -127.84312 -124.43710 3.40602 2.10914 -124.01620 624.14260
6530.0000 -129.05737 -125.61207 3.44530 2.02935 -125.12777 545.62489
6535.0000 -129.00106 -125.72532 3.27573 2.03153 -125.09749 548.04198
6540.0000 -129.07863 -125.23211 3.84652 2.00609 -125.45190 519.95813
6545.0000 -128.75146 -126.03822 2.71324 1.98575 -125.73518 507.11847
6550.0000 -129.81942 -126.12566 3.69376 1.95260 -126.19712 481.62349
6555.0000 -129.22291 -125.56471 3.65820 1.96777 -125.98572 514.90266
6560.0000 -129.60842 -124.86625 4.74217 2.02208 -125.22905 528.04742
6565.0000 -129.09628 -126.07394 3.02233 1.98652 -125.72454 507.33619
6570.0000 -129.58538 -126.68443 2.90094 1.96230 -126.06196 508.48301
6575.0000 -130.17842 -126.55632 3.62210 1.93339 -126.46471 487.60833
6580.0000 -129.69924 -126.21225 3.48700 1.93820 -126.39776 494.66151
6585.0000 -129.46936 -126.48263 2.98674 1.94667 -126.27971 503.51481
6590.0000 -130.23783 -126.50103 3.73680 1.94488 -126.30464 500.67389
6595.0000 -130.07343 -127.03246 3.04097 1.91831 -126.67481 494.85944
6600.0000 -129.27618 -125.62909 3.64709 1.92746 -126.54729 493.13340
6605.0000 -129.68401 -125.72810 3.95591 1.96737 -125.99126 532.10100
6610.0000 -128.77845 -125.49330 3.28514 2.01210 -125.36813 559.42246
6615.0000 -128.58638 -125.72384 2.86254 2.00463 -125.47222 518.70234
6620.0000 -129.77863 -125.85354 3.92508 1.96034 -126.08925 501.98833
6625.0000 -129.71999 -126.14764 3.57235 1.96883 -125.97103 521.85892
6630.0000 -129.36136 -125.90077 3.46058 1.98251 -125.78039 540.33780
6635.0000 -129.62107 -126.19968 3.42139 1.96967 -125.95921 529.68943
6640.0000 -129.54389 -126.01465 3.52924 1.99296 -125.63482 542.77477
6645.0000 -129.88391 -126.34548 3.53843 1.95748 -126.12909 516.30485
6650.0000 -129.60052 -126.37335 3.22717 1.92407 -126.59460 476.17841
6655.0000 -129.75149 -125.41607 4.33542 2.00529 -125.46302 541.90202
6660.0000 -129.91828 -126.15500 3.76328 1.97078 -125.94377 537.67439
6665.0000 -129.96920 -126.08809 3.88111 1.95448 -126.17089 534.07532
6670.0000 -129.71382 -125.56672 4.14710 2.00870 -125.41555 569.91843
6675.0000 -129.34757 -125.81694 3.53064 1.97462 -125.89033 544.14598
6680.0000 -130.09221 -127.02359 3.06862 1.93937 -126.38134 510.89756
6685.0000 -129.67016 -126.29631 3.37385 1.94839 -126.25577 530.19583
6690.0000 -129.40546 -125.92084 3.48462 2.00510 -125.46573 590.16333
6695.0000 -129.68950 -125.77073 3.91876 1.98248 -125.78078 562.84315
6700.0000 -129.89255 -126.92127 2.97128 1.92899 -126.52600 520.03186
6705.0000 -129.93495 -125.87228 4.06266 1.90436 -126.86911 495.42303
6710.0000 -129.05185 -125.47103 3.58082 1.99037 -125.67084 573.26314
6715.0000 -129.67854 -125.49599 4.18255 1.99101 -125.66200 557.37738
6720.0000 -129.63158 -126.11842 3.51316 1.97063 -125.94583 554.20130
6725.0000 -129.35332 -125.67009 3.68323 1.96527 -126.02054 540.10469
6730.0000 -129.90237 -126.14107 3.76130 1.96203 -126.06564 548.98096
6735.0000 -129.91622 -126.53402 3.38220 1.95356 -126.18374 531.64160
6740.0000 -129.96424 -126.35227 3.61197 1.92142 -126.63150 508.95765
6745.0000 -129.61772 -126.41344 3.20428 1.95358 -126.18340 543.43016
6750.0000 -130.08573 -126.60061 3.48513 1.91557 -126.71291 504.36994
FREEZING PROCESS: loop number 28 T-loop= 494.00000000000000
main_MD> interactions number 28 at Temperature= 494.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70315 -0.84328 0.38661
force_rgl> df(natom) -2.38574 0.68236 -0.01035
6755.0000 -130.18015 -126.87847 3.30169 1.92643 -126.56167 521.10546
6760.0000 -129.80175 -126.62680 3.17496 1.91242 -126.75680 501.76574
6765.0000 -130.50039 -127.13415 3.36623 1.89305 -127.02667 477.96269
6770.0000 -129.94628 -126.77696 3.16932 1.89336 -127.02239 476.29332
6775.0000 -130.29444 -126.90649 3.38794 1.91660 -126.69857 504.88960
6780.0000 -130.25547 -126.28458 3.97089 1.93693 -126.41533 528.78624
6785.0000 -130.18346 -126.85810 3.32536 1.91002 -126.79027 506.61277
6790.0000 -130.84920 -127.26427 3.58493 1.87094 -127.33468 465.28799
6795.0000 -130.38947 -127.30412 3.08535 1.88837 -127.09191 487.63478
6800.0000 -130.96521 -127.19657 3.76864 1.88051 -127.20136 474.80402
6805.0000 -129.82350 -127.30924 2.51426 1.88957 -127.07523 474.94550
6810.0000 -129.88641 -126.65357 3.23284 1.89788 -126.95938 487.58915
6815.0000 -130.55499 -126.99192 3.56307 1.92217 -126.62106 519.60535
6820.0000 -129.94584 -126.91191 3.03393 1.92120 -126.63449 505.58543
6825.0000 -130.17277 -126.99982 3.17295 1.89864 -126.94879 488.70285
6830.0000 -130.44731 -127.26425 3.18306 1.87714 -127.24838 463.44310
6835.0000 -129.23352 -126.30707 2.92645 1.89596 -126.98616 480.15712
6840.0000 -130.22877 -127.30944 2.91933 1.89326 -127.02373 476.52279
6845.0000 -131.13696 -127.68226 3.45469 1.86113 -127.47147 455.64574
6850.0000 -130.44314 -126.97670 3.46645 1.86258 -127.45123 464.54835
6855.0000 -130.05632 -127.25052 2.80580 1.89216 -127.03912 487.12871
6860.0000 -129.17624 -126.14124 3.03499 1.91859 -126.67089 503.59406
6865.0000 -129.53094 -126.85750 2.67344 1.92293 -126.61040 511.52383
6870.0000 -130.25188 -126.82683 3.42505 1.90560 -126.85187 497.36679
6875.0000 -130.45417 -127.54911 2.90506 1.92005 -126.65059 502.64902
6880.0000 -130.44286 -127.75345 2.68941 1.85067 -127.61712 445.97877
6885.0000 -130.24843 -126.95350 3.29493 1.88988 -127.07083 464.73781
6890.0000 -130.48222 -127.73460 2.74762 1.88687 -127.11283 475.63179
6895.0000 -130.08737 -127.05657 3.03080 1.88904 -127.08260 478.07339
6900.0000 -130.08372 -126.90997 3.17375 1.89780 -126.96047 487.22391
6905.0000 -130.66380 -127.24646 3.41734 1.88248 -127.17394 483.57689
6910.0000 -130.27378 -126.12449 4.14928 1.91248 -126.75597 513.19458
6915.0000 -130.28252 -127.60521 2.67732 1.90887 -126.80633 497.29314
6920.0000 -130.15901 -126.51433 3.64469 1.90013 -126.92810 488.49798
6925.0000 -129.86883 -126.40876 3.46007 1.92814 -126.53791 516.26404
6930.0000 -130.78106 -127.23222 3.54884 1.92003 -126.65081 513.00179
6935.0000 -130.31254 -127.49456 2.81798 1.88988 -127.07086 489.92473
6940.0000 -130.44232 -127.53546 2.90686 1.85460 -127.56242 448.30035
6945.0000 -130.39081 -127.41747 2.97333 1.86898 -127.36199 463.97934
6950.0000 -129.43255 -125.70567 3.72687 1.93034 -126.50718 508.06925
6955.0000 -129.85796 -126.87230 2.98566 1.93889 -126.38811 525.82099
6960.0000 -130.99438 -127.58120 3.41318 1.87347 -127.29951 462.06061
6965.0000 -130.57936 -126.85117 3.72819 1.89965 -126.93481 493.47970
6970.0000 -129.56026 -125.91038 3.64988 1.95969 -126.09836 537.55031
6975.0000 -129.61250 -126.04420 3.56830 1.99815 -125.56253 569.76650
6980.0000 -129.94008 -126.37306 3.56702 1.96296 -126.05274 552.68290
6985.0000 -129.87069 -126.70928 3.16142 1.93450 -126.44924 486.83507
6990.0000 -130.28683 -126.64700 3.63983 1.91449 -126.72806 486.70194
6995.0000 -130.85346 -127.05380 3.79966 1.89879 -126.94680 481.85125
7000.0000 -130.49337 -127.36173 3.13165 1.87697 -127.25072 466.17807
FREEZING PROCESS: loop number 29 T-loop= 469.00000000000000
main_MD> interactions number 29 at Temperature= 469.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.06882 0.21511 -0.37986
force_rgl> df(natom) -0.49969 1.15692 -0.34443
7005.0000 -130.10714 -127.13683 2.97030 1.89550 -126.99254 494.07599
7010.0000 -130.13625 -126.54422 3.59203 1.91035 -126.78569 497.19215
7015.0000 -130.99452 -127.52116 3.47336 1.90938 -126.79915 507.99554
7020.0000 -131.07206 -127.97096 3.10111 1.82070 -128.03468 414.67978
7025.0000 -129.97916 -127.16259 2.81657 1.86271 -127.44935 455.90841
7030.0000 -130.82643 -127.35361 3.47283 1.86270 -127.44955 456.92324
7035.0000 -130.53007 -127.02740 3.50267 1.89239 -127.03586 480.30951
7040.0000 -130.17338 -126.81773 3.35564 1.87993 -127.20956 470.61371
7045.0000 -130.97821 -127.66950 3.30872 1.86802 -127.37547 454.99155
7050.0000 -130.73263 -126.73624 3.99639 1.91003 -126.79011 501.18883
7055.0000 -131.04165 -127.76365 3.27800 1.85694 -127.52979 454.23409
7060.0000 -130.59656 -126.65566 3.94090 1.85899 -127.50126 452.00189
7065.0000 -129.62072 -126.91282 2.70790 1.91587 -126.70874 510.02130
7070.0000 -130.25362 -127.53500 2.71861 1.87581 -127.26684 467.18110
7075.0000 -130.01341 -126.77033 3.24308 1.90091 -126.91714 489.32016
7080.0000 -129.94358 -126.75977 3.18381 1.92308 -126.60840 509.34951
7085.0000 -130.54935 -127.18474 3.36461 1.86850 -127.36877 462.30003
7090.0000 -130.73420 -127.10622 3.62797 1.87651 -127.25711 463.62977
7095.0000 -130.67776 -126.73733 3.94044 1.91620 -126.70424 497.93806
7100.0000 -130.01486 -127.09004 2.92482 1.87999 -127.20867 470.88524
7105.0000 -130.53204 -126.97341 3.55863 1.88516 -127.13662 483.55489
7110.0000 -130.41214 -127.35760 3.05455 1.87656 -127.25647 473.65378
7115.0000 -130.93610 -127.24692 3.68918 1.89284 -127.02970 480.03006
7120.0000 -130.27093 -126.88209 3.38884 1.88238 -127.17541 473.35754
7125.0000 -130.64511 -127.49080 3.15431 1.87276 -127.30932 460.59833
7130.0000 -130.05895 -127.12619 2.93276 1.87952 -127.21523 471.61323
7135.0000 -130.13451 -126.89430 3.24021 1.88773 -127.10086 474.84643
7140.0000 -130.86153 -127.13388 3.72765 1.90327 -126.88436 490.87772
7145.0000 -130.38683 -127.36686 3.01997 1.87698 -127.25060 468.32117
7150.0000 -130.06647 -126.52544 3.54103 1.90299 -126.88820 491.39392
7155.0000 -129.93640 -127.04283 2.89357 1.92527 -126.57788 467.33002
7160.0000 -130.26392 -127.42268 2.84124 1.86961 -127.35328 455.49926
7165.0000 -130.07085 -127.03857 3.03228 1.87195 -127.32073 457.10912
7170.0000 -129.42805 -126.28843 3.13963 1.88688 -127.11270 460.10743
7175.0000 -130.52356 -127.15404 3.36952 1.93299 -126.47025 512.80304
7180.0000 -129.85685 -126.31944 3.53741 1.89725 -126.96825 464.42324
7185.0000 -129.44780 -126.42087 3.02693 1.95929 -126.10389 499.56606
7190.0000 -129.34786 -126.33247 3.01539 1.90091 -126.91722 493.08340
7195.0000 -129.75649 -126.40178 3.35471 1.93578 -126.43145 514.02223
7200.0000 -130.66475 -127.67984 2.98491 1.91708 -126.69195 500.27589
7205.0000 -131.06450 -128.07838 2.98612 1.82689 -127.94842 420.34631
7210.0000 -130.11347 -126.96400 3.14947 1.86266 -127.45008 456.62925
7215.0000 -130.46893 -126.94174 3.52719 1.88981 -127.07190 474.49519
7220.0000 -129.29484 -126.30328 2.99156 1.91062 -126.78197 499.69744
7225.0000 -129.93893 -126.42466 3.51428 1.94327 -126.32709 528.39037
7230.0000 -129.85439 -126.95045 2.90394 1.91490 -126.72236 475.54801
7235.0000 -128.79167 -126.11124 2.68043 1.91141 -126.77088 445.39922
7240.0000 -129.63859 -126.36691 3.27168 1.94574 -126.29269 480.50004
7245.0000 -129.87730 -126.34686 3.53045 1.93496 -126.44280 497.50049
7250.0000 -130.50121 -126.98666 3.51455 1.93217 -126.48169 499.74292
FREEZING PROCESS: loop number 30 T-loop= 444.00000000000000
main_MD> interactions number 30 at Temperature= 444.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21914 -0.47020 -2.54231
force_rgl> df(natom) -1.43794 2.11097 -0.77227
7255.0000 -130.23606 -126.62805 3.60801 1.92345 -126.60325 493.24046
7260.0000 -130.25804 -127.49470 2.76334 1.84443 -127.70408 422.71370
7265.0000 -130.86585 -128.02984 2.83601 1.84643 -127.67619 421.95973
7270.0000 -130.21667 -127.44546 2.77122 1.86484 -127.41973 434.94905
7275.0000 -129.93856 -126.64167 3.29690 1.88815 -127.09494 460.86322
7280.0000 -130.72550 -127.48451 3.24098 1.90096 -126.91645 473.18962
7285.0000 -129.93185 -126.70360 3.22825 1.86920 -127.35893 440.74659
7290.0000 -130.10752 -127.15569 2.95182 1.87315 -127.30395 450.62180
7295.0000 -130.64227 -126.19074 4.45153 1.92146 -126.63088 497.38710
7300.0000 -130.04675 -126.69272 3.35403 1.95298 -126.19184 512.61882
7305.0000 -130.42402 -127.08075 3.34326 1.87513 -127.27637 444.23791
7310.0000 -129.58224 -126.24035 3.34190 1.91031 -126.78626 479.92616
7315.0000 -129.80461 -126.29605 3.50856 1.95685 -126.13787 519.63425
7320.0000 -129.81268 -126.36813 3.44455 1.95384 -126.17979 518.47194
7325.0000 -130.27452 -127.11524 3.15928 1.91468 -126.72535 484.35739
7330.0000 -130.33611 -126.89748 3.43863 1.89435 -127.00860 469.82006
7335.0000 -129.61653 -126.68435 2.93217 1.90974 -126.79413 485.85898
7340.0000 -131.18828 -128.41343 2.77484 1.85862 -127.50638 428.83033
7345.0000 -131.10164 -128.06311 3.03853 1.82351 -127.99558 406.61985
7350.0000 -130.39872 -127.54640 2.85232 1.82731 -127.94253 416.05208
7355.0000 -130.10579 -127.02582 3.07997 1.89457 -127.00555 463.53145
7360.0000 -130.04814 -127.18957 2.85856 1.87124 -127.33053 442.06294
7365.0000 -130.04294 -127.13890 2.90404 1.88125 -127.19106 461.19162
7370.0000 -130.32921 -127.74617 2.58304 1.85164 -127.60357 429.69241
7375.0000 -129.38374 -126.23343 3.15031 1.88668 -127.11551 462.88942
7380.0000 -130.57359 -126.99794 3.57565 1.91484 -126.72318 477.57015
7385.0000 -130.92274 -128.20763 2.71511 1.84755 -127.66058 421.73978
7390.0000 -130.36021 -127.62985 2.73036 1.83990 -127.76713 411.12333
7395.0000 -130.20335 -127.69190 2.51145 1.84281 -127.72667 414.81830
7400.0000 -130.73351 -128.17853 2.55499 1.82601 -127.96074 399.40835
7405.0000 -130.35856 -127.05975 3.29882 1.85866 -127.50583 433.43249
7410.0000 -130.47726 -127.64339 2.83387 1.88651 -127.11785 459.84941
7415.0000 -130.35143 -127.50741 2.84401 1.85925 -127.49754 430.67665
7420.0000 -130.47522 -127.61476 2.86046 1.86711 -127.38812 439.23860
7425.0000 -129.88833 -127.16865 2.71968 1.89768 -126.96219 477.43589
7430.0000 -130.82511 -127.51144 3.31366 1.84779 -127.65720 426.21021
7435.0000 -130.35933 -127.95171 2.40762 1.85733 -127.52440 431.55402
7440.0000 -129.47149 -126.73304 2.73846 1.87847 -127.22979 448.16269
7445.0000 -131.00231 -127.79529 3.20702 1.88158 -127.18654 458.82706
7450.0000 -130.70785 -127.83378 2.87407 1.84604 -127.68163 423.51643
7455.0000 -130.61291 -127.88881 2.72410 1.83205 -127.87650 414.19072
7460.0000 -130.52020 -127.37376 3.14644 1.84517 -127.69377 417.84290
7465.0000 -131.20660 -127.73010 3.47649 1.88201 -127.18057 456.23788
7470.0000 -130.68771 -127.63305 3.05466 1.84261 -127.72939 427.77820
7475.0000 -130.12304 -127.67177 2.45127 1.87787 -127.23817 465.05991
7480.0000 -130.02075 -126.99485 3.02589 1.88493 -127.13979 457.70887
7485.0000 -130.58493 -127.76599 2.81893 1.86400 -127.43144 439.86924
7490.0000 -130.88900 -127.59673 3.29227 1.84133 -127.74728 416.46756
7495.0000 -130.73404 -127.49638 3.23766 1.83704 -127.80707 417.57194
7500.0000 -130.42799 -127.67871 2.74929 1.84958 -127.63229 426.34547
FREEZING PROCESS: loop number 31 T-loop= 419.00000000000000
main_MD> interactions number 31 at Temperature= 419.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10549 0.58650 -2.06786
force_rgl> df(natom) -0.58214 0.12607 0.35096
7505.0000 -130.57614 -127.07353 3.50262 1.85214 -127.59666 429.13184
7510.0000 -130.71312 -127.71593 2.99719 1.86095 -127.47392 434.78424
7515.0000 -130.97164 -128.67128 2.30036 1.82453 -127.98133 401.69817
7520.0000 -131.40257 -128.84018 2.56239 1.80245 -128.28894 386.63368
7525.0000 -130.84823 -128.05034 2.79789 1.80764 -128.21658 388.29019
7530.0000 -130.41215 -127.96584 2.44631 1.84259 -127.72963 422.02190
7535.0000 -130.87500 -128.20767 2.66732 1.82605 -127.96009 403.03514
7540.0000 -131.09615 -127.91767 3.17848 1.83097 -127.89157 406.06261
7545.0000 -130.15280 -127.35904 2.79376 1.85702 -127.52868 435.85829
7550.0000 -130.28728 -127.42933 2.85795 1.88960 -127.07478 466.04990
7555.0000 -129.95846 -126.81397 3.14449 1.86523 -127.41431 438.51484
7560.0000 -130.81475 -128.00562 2.80913 1.87172 -127.32385 444.37772
7565.0000 -130.53121 -128.02598 2.50523 1.81965 -128.04929 398.11269
7570.0000 -130.85610 -128.40862 2.44748 1.79936 -128.33198 380.84007
7575.0000 -130.44581 -127.67332 2.77249 1.77953 -128.60828 357.18444
7580.0000 -130.32736 -127.29550 3.03186 1.87491 -127.27937 448.12087
7585.0000 -130.66524 -127.91565 2.74959 1.83082 -127.89365 408.50568
7590.0000 -130.53707 -127.28430 3.25277 1.87700 -127.25035 450.42732
7595.0000 -130.31103 -127.75490 2.55613 1.85340 -127.57912 424.76842
7600.0000 -130.21658 -127.37515 2.84143 1.84664 -127.67323 417.17027
7605.0000 -130.40822 -127.02846 3.37976 1.87677 -127.25351 452.58467
7610.0000 -130.12642 -127.35142 2.77499 1.87432 -127.28761 442.33575
7615.0000 -130.65329 -127.47305 3.18024 1.86483 -127.41993 437.10065
7620.0000 -130.88631 -128.30174 2.58456 1.83812 -127.79203 406.47549
7625.0000 -130.69257 -127.75133 2.94123 1.83208 -127.87612 411.15556
7630.0000 -130.56382 -127.70347 2.86035 1.85728 -127.52510 431.32295
7635.0000 -130.43872 -127.90270 2.53602 1.80925 -128.19419 387.51111
7640.0000 -131.24823 -128.38754 2.86070 1.80615 -128.23740 386.72020
7645.0000 -131.02112 -128.57567 2.44545 1.78479 -128.53491 368.11178
7650.0000 -131.00266 -128.05227 2.95039 1.79179 -128.43741 372.59847
7655.0000 -130.70754 -128.14416 2.56338 1.80837 -128.20640 389.83342
7660.0000 -130.80842 -128.40825 2.40017 1.79449 -128.39978 379.21949
7665.0000 -130.25739 -127.36809 2.88931 1.83365 -127.85420 408.47051
7670.0000 -130.33943 -127.72239 2.61704 1.83031 -127.90073 409.41923
7675.0000 -130.78091 -128.46844 2.31246 1.82554 -127.96727 396.37811
7680.0000 -130.87451 -128.18308 2.69143 1.81771 -128.07627 395.58058
7685.0000 -130.49400 -128.09527 2.39873 1.81665 -128.09112 394.22911
7690.0000 -130.50047 -127.74280 2.75767 1.84468 -127.70057 416.92961
7695.0000 -130.96557 -128.72838 2.23719 1.80964 -128.18873 391.56343
7700.0000 -130.87840 -128.60348 2.27492 1.78680 -128.50690 361.65273
7705.0000 -130.97683 -128.12075 2.85608 1.82943 -127.91307 410.57086
7710.0000 -130.53037 -127.62451 2.90587 1.83519 -127.83282 406.30857
7715.0000 -130.80310 -127.66157 3.14153 1.83439 -127.84392 404.46286
7720.0000 -130.50166 -128.34424 2.15743 1.83272 -127.86716 416.53976
7725.0000 -131.03539 -128.01862 3.01677 1.80061 -128.31459 384.95475
7730.0000 -130.84793 -128.43413 2.41380 1.80740 -128.22001 382.48302
7735.0000 -130.89026 -128.46893 2.42133 1.80597 -128.23995 388.10753
7740.0000 -131.10689 -128.55649 2.55040 1.77694 -128.64436 366.50046
7745.0000 -130.90524 -127.99723 2.90800 1.84739 -127.66285 424.92470
7750.0000 -130.89787 -128.15518 2.74269 1.82765 -127.93788 419.35992
FREEZING PROCESS: loop number 32 T-loop= 394.00000000000000
main_MD> interactions number 32 at Temperature= 394.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.51398 0.96538 -0.45075
force_rgl> df(natom) 0.57424 -0.70116 1.50686
7755.0000 -131.27518 -128.57232 2.70285 1.81565 -128.10508 404.21421
7760.0000 -131.01975 -127.95091 3.06884 1.81182 -128.15838 403.96425
7765.0000 -130.46980 -128.05118 2.41862 1.82154 -128.02299 412.39793
7770.0000 -130.60424 -128.25551 2.34872 1.80922 -128.19466 397.75261
7775.0000 -131.59324 -129.02725 2.56599 1.77424 -128.68192 370.17671
7780.0000 -131.15221 -128.81313 2.33908 1.77544 -128.66522 373.03773
7785.0000 -130.47775 -127.78854 2.68921 1.79571 -128.38282 394.56535
7790.0000 -130.84566 -128.45098 2.39467 1.77932 -128.61110 373.56194
7795.0000 -131.17870 -128.88037 2.29833 1.77749 -128.63667 372.44640
7800.0000 -130.23280 -127.84213 2.39067 1.77349 -128.69237 369.50968
7805.0000 -130.64844 -127.98787 2.66057 1.81898 -128.05870 410.97461
7810.0000 -130.54294 -127.89554 2.64739 1.82953 -127.91166 417.42399
7815.0000 -130.52712 -127.64417 2.88295 1.83622 -127.81842 425.40704
7820.0000 -131.09950 -127.75208 3.34742 1.82210 -128.01511 410.21354
7825.0000 -131.05055 -127.91592 3.13463 1.81580 -128.10287 413.63755
7830.0000 -131.16530 -128.67059 2.49471 1.79702 -128.36462 397.69753
7835.0000 -131.11196 -128.89150 2.22046 1.76796 -128.76937 368.18774
7840.0000 -130.92841 -128.62789 2.30052 1.76874 -128.75860 362.74872
7845.0000 -131.16164 -128.46416 2.69748 1.78160 -128.57937 376.02512
7850.0000 -130.78906 -128.29375 2.49531 1.78448 -128.53921 373.23260
7855.0000 -131.33783 -128.74880 2.58903 1.78619 -128.51548 377.97112
7860.0000 -130.52504 -128.06135 2.46369 1.80195 -128.29581 397.01836
7865.0000 -130.60934 -127.93137 2.67798 1.80906 -128.19678 399.92644
7870.0000 -130.14435 -127.31420 2.83015 1.82319 -128.00004 407.24184
7875.0000 -130.85065 -128.20753 2.64312 1.84217 -127.73559 417.53013
7880.0000 -130.98632 -128.71264 2.27368 1.77643 -128.65139 373.15184
7885.0000 -130.02016 -127.44981 2.57035 1.80337 -128.27614 397.08498
7890.0000 -130.81512 -128.35651 2.45861 1.82281 -128.00523 414.11325
7895.0000 -129.91883 -126.46408 3.45476 1.85829 -127.51092 447.78184
7900.0000 -130.22579 -127.35714 2.86865 1.86000 -127.48709 443.59904
7905.0000 -130.71876 -127.77880 2.93996 1.83595 -127.82218 427.56055
7910.0000 -130.88062 -128.06315 2.81747 1.82627 -127.95704 419.19110
7915.0000 -130.66263 -127.88732 2.77531 1.82075 -128.03392 408.56258
7920.0000 -130.82762 -128.08786 2.73977 1.82174 -128.02011 412.96124
7925.0000 -130.62984 -127.69548 2.93437 1.84521 -127.69322 434.49875
7930.0000 -131.24033 -128.70342 2.53691 1.81713 -128.08439 408.10935
7935.0000 -131.24199 -128.49545 2.74654 1.76711 -128.78122 367.02728
7940.0000 -131.08309 -128.70458 2.37850 1.77895 -128.61626 371.30628
7945.0000 -131.28982 -128.12584 3.16398 1.80210 -128.29385 399.85694
7950.0000 -130.79534 -128.21755 2.57779 1.80463 -128.25855 399.27082
7955.0000 -131.20149 -127.93224 3.26924 1.80697 -128.22590 401.54299
7960.0000 -130.92446 -128.18328 2.74118 1.82022 -128.04137 415.49838
7965.0000 -131.52550 -128.55628 2.96922 1.79392 -128.40775 383.86162
7970.0000 -131.48726 -128.29964 3.18763 1.77502 -128.67099 375.52341
7975.0000 -130.70702 -128.20318 2.50384 1.81195 -128.15663 406.09898
7980.0000 -131.29589 -128.68036 2.61554 1.78034 -128.59694 372.74052
7985.0000 -130.89747 -128.36083 2.53664 1.77881 -128.61822 371.41168
7990.0000 -131.17307 -128.32082 2.85224 1.82265 -128.00748 414.80873
7995.0000 -130.70638 -128.11065 2.59573 1.82495 -127.97540 419.57159
8000.0000 -131.10906 -128.28897 2.82009 1.83608 -127.82039 431.98131
FREEZING PROCESS: loop number 33 T-loop= 369.00000000000000
main_MD> interactions number 33 at Temperature= 369.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45567 -1.55368 2.35936
force_rgl> df(natom) 0.52996 2.76966 0.92371
8005.0000 -130.76247 -128.34556 2.41692 1.79032 -128.45788 384.29673
8010.0000 -131.02641 -128.52887 2.49754 1.79898 -128.33733 391.56017
8015.0000 -130.87278 -128.21259 2.66019 1.77544 -128.66522 368.94158
8020.0000 -131.34137 -128.73091 2.61046 1.78776 -128.49357 383.63463
8025.0000 -131.13935 -128.31492 2.82443 1.78432 -128.54147 381.02998
8030.0000 -131.10337 -128.43103 2.67234 1.79505 -128.39202 385.73457
8035.0000 -131.05602 -128.39307 2.66296 1.80211 -128.29367 397.45984
8040.0000 -131.45642 -128.87877 2.57765 1.76896 -128.75547 366.53567
8045.0000 -130.94191 -128.55729 2.38462 1.76226 -128.84877 356.38994
8050.0000 -131.44586 -128.49094 2.95492 1.78768 -128.49475 381.59029
8055.0000 -130.35243 -127.64728 2.70516 1.78744 -128.49797 381.11729
8060.0000 -131.50829 -129.35488 2.15341 1.76740 -128.77727 361.48143
8065.0000 -131.03949 -128.61465 2.42484 1.76336 -128.83352 358.14024
8070.0000 -131.09545 -128.73300 2.36244 1.78012 -128.60005 375.21564
8075.0000 -130.80934 -128.43560 2.37374 1.79509 -128.39146 386.30443
8080.0000 -131.24545 -128.97704 2.26841 1.78621 -128.51517 378.30058
8085.0000 -130.93904 -128.41505 2.52399 1.78251 -128.56666 373.21854
8090.0000 -131.06022 -128.05440 3.00582 1.80167 -128.29980 393.25992
8095.0000 -131.27925 -129.12653 2.15272 1.77462 -128.67660 367.16674
8100.0000 -131.24738 -129.33090 1.91648 1.73009 -129.29695 326.89760
8105.0000 -130.81586 -128.26656 2.54930 1.78034 -128.59700 376.09197
8110.0000 -131.13924 -128.74764 2.39160 1.79143 -128.44242 383.32439
8115.0000 -131.38453 -128.79788 2.58665 1.76810 -128.76743 365.94333
8120.0000 -131.16013 -128.87170 2.28843 1.75998 -128.88054 361.66845
8125.0000 -131.00065 -128.55203 2.44862 1.76154 -128.85879 359.18023
8130.0000 -131.31954 -128.23337 3.08617 1.78673 -128.50792 381.56909
8135.0000 -131.12067 -129.21617 1.90450 1.76792 -128.76992 363.24962
8140.0000 -131.79948 -129.23664 2.56284 1.73255 -129.26277 333.24819
8145.0000 -131.22858 -128.55719 2.67140 1.75744 -128.91599 353.37380
8150.0000 -131.16634 -128.56118 2.60516 1.79193 -128.43541 381.35120
8155.0000 -131.36153 -129.07837 2.28316 1.77825 -128.62602 372.81095
8160.0000 -131.18420 -129.44497 1.73923 1.73929 -129.16884 333.82171
8165.0000 -131.55750 -129.06381 2.49370 1.74082 -129.14749 335.66922
8170.0000 -131.44222 -128.71321 2.72901 1.75213 -128.98994 351.06346
8175.0000 -131.43020 -129.09831 2.33189 1.76670 -128.78704 364.22485
8180.0000 -131.24676 -128.92172 2.32504 1.75790 -128.90954 351.33635
8185.0000 -131.30638 -129.09068 2.21570 1.75559 -128.94172 356.34808
8190.0000 -131.70118 -129.12505 2.57614 1.75712 -128.92045 353.54044
8195.0000 -131.07494 -129.08905 1.98588 1.75206 -128.99093 345.63449
8200.0000 -131.34437 -128.90307 2.44130 1.75139 -129.00031 351.85377
8205.0000 -131.00791 -128.64724 2.36068 1.78720 -128.50131 375.65216
8210.0000 -131.22878 -128.51260 2.71618 1.76761 -128.77429 365.14655
8215.0000 -131.15873 -128.46308 2.69565 1.79028 -128.45841 384.31001
8220.0000 -131.52731 -129.24457 2.28274 1.76652 -128.78951 359.84774
8225.0000 -130.95221 -128.85225 2.09996 1.73977 -129.16216 336.72295
8230.0000 -131.46411 -128.97608 2.48803 1.77204 -128.71252 367.85444
8235.0000 -131.18778 -129.11971 2.06807 1.75946 -128.88780 353.75593
8240.0000 -131.45438 -129.42338 2.03100 1.71829 -129.46135 312.10195
8245.0000 -131.25089 -129.05446 2.19643 1.72829 -129.32214 322.60461
8250.0000 -131.44158 -128.99425 2.44732 1.76627 -128.79302 361.56439
FREEZING PROCESS: loop number 34 T-loop= 344.00000000000000
main_MD> interactions number 34 at Temperature= 344.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48070 0.06410 -0.58284
force_rgl> df(natom) -1.78879 1.87585 -0.02079
8255.0000 -131.26660 -128.75439 2.51221 1.75836 -128.90319 356.15140
8260.0000 -131.52870 -129.14508 2.38362 1.74225 -129.12760 338.91072
8265.0000 -131.20234 -128.26914 2.93320 1.77323 -128.69604 371.04976
8270.0000 -130.50867 -127.75211 2.75655 1.82342 -127.99681 417.85500
8275.0000 -130.98369 -128.40864 2.57504 1.79791 -128.35210 385.42402
8280.0000 -130.66240 -128.52285 2.13955 1.79899 -128.33707 387.42964
8285.0000 -131.39951 -128.77350 2.62600 1.79419 -128.40395 388.03905
8290.0000 -131.18150 -128.46973 2.71177 1.77575 -128.66093 372.36047
8295.0000 -131.19000 -128.08274 3.10725 1.78573 -128.52182 384.14200
8300.0000 -131.16694 -128.67554 2.49140 1.78794 -128.49106 378.37784
8305.0000 -131.19801 -128.91711 2.28090 1.74739 -129.05604 345.25200
8310.0000 -130.89107 -128.72944 2.16162 1.78046 -128.59526 372.05916
8315.0000 -131.02092 -128.90218 2.11874 1.75152 -128.99848 343.73635
8320.0000 -131.39173 -129.08167 2.31006 1.73547 -129.22207 329.95170
8325.0000 -131.64242 -129.40907 2.23335 1.72915 -129.31012 324.97687
8330.0000 -131.36514 -129.25327 2.11187 1.73248 -129.26367 330.33538
8335.0000 -131.54392 -129.18048 2.36344 1.71319 -129.53239 309.21357
8340.0000 -131.22503 -128.63884 2.58619 1.76647 -128.79013 357.58138
8345.0000 -130.96981 -128.08641 2.88341 1.80758 -128.21742 404.49676
8350.0000 -131.48996 -129.20522 2.28474 1.75721 -128.91917 348.79842
8355.0000 -131.53007 -129.21249 2.31758 1.73562 -129.22000 330.65223
8360.0000 -131.21362 -128.88617 2.32745 1.72905 -129.31148 329.81025
8365.0000 -131.37869 -129.21157 2.16713 1.74453 -129.09586 342.03262
8370.0000 -131.68413 -129.28621 2.39792 1.73466 -129.23330 330.54850
8375.0000 -131.14283 -129.26013 1.88270 1.74004 -129.15841 338.76369
8380.0000 -130.77955 -128.87883 1.90072 1.74982 -129.02216 344.68858
8385.0000 -131.02692 -128.51180 2.51512 1.74974 -129.02332 346.26097
8390.0000 -130.82559 -128.31888 2.50671 1.77716 -128.64120 372.78427
8395.0000 -130.86546 -128.34518 2.52028 1.79530 -128.38856 390.53001
8400.0000 -131.27671 -128.88650 2.39021 1.77219 -128.71049 369.51137
8405.0000 -130.83555 -128.66603 2.16951 1.76336 -128.83353 361.80006
8410.0000 -131.35712 -129.22108 2.13604 1.75525 -128.94645 347.55775
8415.0000 -131.77841 -129.46165 2.31676 1.72145 -129.41740 316.71928
8420.0000 -131.18786 -129.20096 1.98691 1.73014 -129.29625 324.86475
8425.0000 -131.54826 -129.21661 2.33166 1.74954 -129.02604 345.81689
8430.0000 -130.93132 -128.55955 2.37177 1.75962 -128.88563 353.23091
8435.0000 -131.14067 -129.48967 1.65100 1.78250 -128.56685 375.00209
8440.0000 -131.39561 -129.38767 2.00795 1.72315 -129.39373 318.74486
8445.0000 -131.06353 -129.09119 1.97234 1.72566 -129.35872 323.29965
8450.0000 -131.38375 -128.55834 2.82541 1.76153 -128.85906 354.18237
8455.0000 -131.24099 -128.72437 2.51662 1.75761 -128.91360 352.60118
8460.0000 -131.59189 -129.19290 2.39898 1.73977 -129.16213 331.17663
8465.0000 -131.47763 -129.43098 2.04665 1.74661 -129.06686 340.47495
8470.0000 -131.60264 -129.26901 2.33362 1.71846 -129.45904 313.36291
8475.0000 -131.61252 -129.63166 1.98085 1.72868 -129.31665 324.64872
8480.0000 -131.43111 -129.37830 2.05281 1.71489 -129.50873 308.17751
8485.0000 -131.57997 -129.41737 2.16259 1.72695 -129.34074 321.35312
8490.0000 -131.59278 -129.34270 2.25008 1.75259 -128.98355 348.26281
8495.0000 -131.69918 -129.28835 2.41083 1.73636 -129.20966 334.46384
8500.0000 -131.27675 -128.68245 2.59430 1.75737 -128.91702 358.65787
FREEZING PROCESS: loop number 35 T-loop= 319.00000000000000
main_MD> interactions number 35 at Temperature= 319.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92971 1.52136 -1.21195
force_rgl> df(natom) -0.56050 -0.50586 1.71570
8505.0000 -131.30831 -128.92545 2.38287 1.76691 -128.78411 365.09437
8510.0000 -131.54595 -129.79877 1.74718 1.72337 -129.39061 316.09048
8515.0000 -131.80521 -129.81743 1.98778 1.68090 -129.98232 277.89736
8520.0000 -131.03632 -129.18099 1.85533 1.72800 -129.32607 322.74837
8525.0000 -131.38411 -129.28894 2.09517 1.74321 -129.11421 333.95259
8530.0000 -131.09482 -128.89676 2.19806 1.75722 -128.91898 350.15334
8535.0000 -131.75435 -129.40450 2.34985 1.73115 -129.28220 330.92648
8540.0000 -131.45463 -128.94274 2.51189 1.73605 -129.21393 331.20403
8545.0000 -131.57624 -129.03323 2.54301 1.76280 -128.84134 361.07862
8550.0000 -131.67764 -129.12314 2.55451 1.74953 -129.02614 340.25370
8555.0000 -131.66911 -129.57434 2.09477 1.72336 -129.39073 319.30824
8560.0000 -131.48807 -129.38653 2.10154 1.71718 -129.47686 313.84654
8565.0000 -131.41824 -129.09389 2.32435 1.72106 -129.42284 316.53338
8570.0000 -131.72186 -129.79392 1.92794 1.71887 -129.45336 317.58534
8575.0000 -131.66721 -129.61804 2.04917 1.72018 -129.43507 317.18480
8580.0000 -132.04289 -129.98126 2.06164 1.68881 -129.87204 284.76432
8585.0000 -131.40504 -129.11934 2.28570 1.72329 -129.39176 318.45132
8590.0000 -131.71302 -129.86106 1.85196 1.71733 -129.47476 312.36058
8595.0000 -131.43999 -129.73635 1.70364 1.69874 -129.73383 292.26189
8600.0000 -131.34806 -128.89225 2.45581 1.72625 -129.35056 326.58654
8605.0000 -131.51446 -129.31643 2.19802 1.73621 -129.21171 336.25931
8610.0000 -131.31144 -129.49919 1.81225 1.70291 -129.67570 299.46224
8615.0000 -131.15651 -129.08685 2.06966 1.72526 -129.36428 324.66529
8620.0000 -131.35808 -129.07597 2.28211 1.75111 -129.00413 343.26247
8625.0000 -131.61094 -129.38579 2.22515 1.73909 -129.17162 332.88682
8630.0000 -131.49442 -129.13223 2.36219 1.75222 -128.98875 348.91074
8635.0000 -131.54059 -128.78777 2.75282 1.76679 -128.78574 363.41967
8640.0000 -131.09495 -129.05512 2.03983 1.74364 -129.10828 339.82953
8645.0000 -131.60356 -129.30891 2.29466 1.73646 -129.20824 331.56233
8650.0000 -131.67643 -129.62698 2.04944 1.72535 -129.36304 323.67996
8655.0000 -132.01922 -130.08928 1.92994 1.70968 -129.58142 305.16297
8660.0000 -131.60365 -129.51965 2.08400 1.70807 -129.60380 302.90994
8665.0000 -131.72876 -129.28690 2.44186 1.73688 -129.20241 331.69365
8670.0000 -131.56192 -129.60090 1.96102 1.70818 -129.60229 305.05724
8675.0000 -131.68356 -129.80768 1.87588 1.71588 -129.49501 312.74009
8680.0000 -131.31618 -128.75522 2.56096 1.72012 -129.43598 314.80703
8685.0000 -131.35218 -128.72936 2.62282 1.76718 -128.78035 360.15601
8690.0000 -131.73323 -129.52039 2.21284 1.74085 -129.14716 338.16334
8695.0000 -131.48326 -129.92561 1.55765 1.70526 -129.64296 304.23576
8700.0000 -131.76036 -129.59059 2.16976 1.68818 -129.88088 286.44917
8705.0000 -131.32263 -129.39930 1.92333 1.72412 -129.38019 319.19403
8710.0000 -131.68332 -129.63530 2.04802 1.71684 -129.48154 314.70256
8715.0000 -131.66364 -129.35926 2.30438 1.71781 -129.46807 312.54553
8720.0000 -131.27204 -128.91513 2.35691 1.73430 -129.23830 331.18920
8725.0000 -131.25533 -128.67429 2.58104 1.76045 -128.87398 353.85462
8730.0000 -130.76035 -128.93647 1.82388 1.76601 -128.79655 362.08993
8735.0000 -131.87382 -129.86338 2.01044 1.73121 -129.28142 324.59552
8740.0000 -131.70501 -129.83754 1.86747 1.69453 -129.79248 291.93371
8745.0000 -131.67473 -129.52143 2.15330 1.70416 -129.65822 303.40697
8750.0000 -131.50589 -129.21936 2.28653 1.71448 -129.51452 311.11348
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 10 [min], 24.2424046 [s].
main_MD> Deallocating global variables
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