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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_94/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_94.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 94 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 94 9400
main_MD> Size of nv and nvoiz: 94 9400
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 94
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 8.9807076511345910E-002 -3.7418948074627194E-002 -0.10600160659479818 initial drift of cluster / NP1 for coalescence
init> 0.34060776614242516 0.34630379222000479 0.34107567795795185 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6298253429035048E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45412 2.08813 -0.95030
force_rgl> df(natom) -2.34054 -2.43017 -3.94769
preparo> THERMALIZATION PROCESS AT 1146.8474685883359
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -209.21804662859023 13.130838797660266 -222.34888542625049 6.9267577643303214E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 33
FREEZING PROCESS: loop number 1 T-loop= 1118.0000000000000
main_MD> interactions number 1 at Temperature= 1118.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15042 -0.36632 0.92741
force_rgl> df(natom) 1.99483 0.77841 2.07981
5.0000 -223.11489 -208.70551 14.40939 3.36460 -207.74114 1229.55379
10.0000 -222.18149 -209.62711 12.55438 3.28939 -209.29609 1162.20911
15.0000 -224.33817 -209.22116 15.11702 3.30852 -208.90060 1179.82342
20.0000 -224.73014 -211.87055 12.85959 3.18521 -211.44994 1131.13189
25.0000 -224.52403 -210.07593 14.44809 3.25554 -209.99586 1200.84481
30.0000 -223.95734 -207.27493 16.68242 3.31090 -208.85136 1209.10783
35.0000 -220.08533 -205.54158 14.54375 3.41197 -206.76194 1283.21172
40.0000 -225.94854 -210.45558 15.49296 3.29915 -209.09424 1181.33654
45.0000 -224.65553 -210.49452 14.16101 3.18636 -211.42613 1122.89198
50.0000 -225.31104 -212.05793 13.25311 3.16517 -211.86426 1098.45143
55.0000 -221.84454 -206.59553 15.24901 3.30789 -208.91360 1168.94285
60.0000 -227.38603 -214.47126 12.91477 3.20440 -211.05324 1112.04608
65.0000 -226.55232 -211.68101 14.87131 3.10967 -213.01149 1094.37891
70.0000 -224.13051 -210.18219 13.94832 3.24224 -210.27091 1147.13635
75.0000 -224.25200 -210.29706 13.95494 3.28910 -209.30209 1174.99779
80.0000 -223.11527 -210.33135 12.78393 3.26928 -209.71182 1186.93616
85.0000 -221.78946 -208.69884 13.09062 3.29266 -209.22858 1186.06513
90.0000 -224.21820 -209.45843 14.75977 3.30305 -209.01369 1210.17235
95.0000 -222.13641 -208.11619 14.02022 3.28035 -209.48302 1172.33585
100.0000 -224.32105 -210.20502 14.11603 3.32135 -208.63527 1218.89895
105.0000 -224.62176 -209.87679 14.74497 3.26191 -209.86414 1200.55887
110.0000 -224.73905 -209.71569 15.02336 3.28824 -209.31976 1190.29698
115.0000 -223.03858 -209.30893 13.72965 3.34635 -208.11844 1181.99856
120.0000 -224.99909 -210.41689 14.58221 3.27680 -209.55633 1194.73256
125.0000 -225.70893 -212.02721 13.68172 3.18827 -211.38653 1127.25649
130.0000 -224.15357 -208.85427 15.29930 3.19768 -211.19216 1139.09842
135.0000 -223.99915 -208.35145 15.64770 3.26047 -209.89401 1172.82184
140.0000 -225.28495 -212.61511 12.66984 3.24800 -210.15173 1167.43330
145.0000 -224.42302 -211.34452 13.07850 3.19503 -211.24683 1112.36952
150.0000 -227.07794 -213.36027 13.71767 3.16387 -211.89101 1106.75108
155.0000 -224.92075 -209.41950 15.50125 3.19251 -211.29903 1126.01673
160.0000 -225.60379 -211.96540 13.63838 3.22317 -210.66502 1156.43111
165.0000 -225.84195 -211.71489 14.12706 3.11347 -212.93291 1072.36591
170.0000 -224.48836 -213.34806 11.14030 3.17265 -211.70955 1091.65452
175.0000 -224.09338 -209.50146 14.59192 3.17090 -211.74578 1101.23554
180.0000 -223.67138 -210.34427 13.32710 3.24728 -210.16669 1116.46002
185.0000 -223.54776 -206.81162 16.73614 3.25605 -209.98542 1178.10336
190.0000 -222.51124 -209.32742 13.18381 3.38526 -207.31413 1244.85512
195.0000 -224.38277 -210.08099 14.30177 3.25209 -210.06729 1187.11415
200.0000 -225.76639 -210.25309 15.51330 3.22059 -210.71834 1165.55756
205.0000 -222.24912 -209.53686 12.71225 3.23290 -210.46392 1151.41860
210.0000 -224.67036 -210.40661 14.26376 3.23898 -210.33820 1143.99072
215.0000 -224.71317 -210.41220 14.30096 3.25879 -209.92861 1182.30381
220.0000 -226.80315 -212.38509 14.41806 3.25113 -210.08704 1196.06882
225.0000 -222.16760 -209.34924 12.81836 3.28136 -209.46207 1165.62852
230.0000 -224.05834 -210.75759 13.30075 3.30756 -208.92046 1195.10642
235.0000 -227.30801 -211.60412 15.70389 3.23122 -210.49861 1151.48028
240.0000 -224.90127 -211.10759 13.79368 3.20622 -211.01543 1107.29254
245.0000 -226.04696 -209.64296 16.40400 3.27056 -209.68544 1159.01505
250.0000 -223.02494 -209.48054 13.54440 3.22336 -210.66122 1147.89281
FREEZING PROCESS: loop number 2 T-loop= 1093.0000000000000
main_MD> interactions number 2 at Temperature= 1093.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.10776 2.96856 -6.31838
force_rgl> df(natom) 2.38243 1.93376 -4.62141
255.0000 -225.10649 -209.76116 15.34533 3.26804 -209.73738 1181.73802
260.0000 -225.16274 -212.08212 13.08062 3.16779 -211.81008 1099.29351
265.0000 -225.94889 -211.72131 14.22758 3.23627 -210.39429 1157.71808
270.0000 -226.42473 -212.85557 13.56917 3.17392 -211.68336 1119.82838
275.0000 -227.19193 -213.23969 13.95223 3.12360 -212.72348 1098.08731
280.0000 -226.01600 -212.58067 13.43532 3.06348 -213.96645 1046.08734
285.0000 -223.79596 -209.29534 14.50062 3.23828 -210.35273 1174.72950
290.0000 -225.71804 -211.50246 14.21558 3.35528 -207.93383 1226.84569
295.0000 -224.67283 -212.77567 11.89716 3.14500 -212.28115 1080.42234
300.0000 -224.64745 -211.29396 13.35349 3.13646 -212.45761 1085.92481
305.0000 -224.91473 -209.69998 15.21475 3.26008 -209.90209 1199.13706
310.0000 -225.10606 -211.80030 13.30576 3.18820 -211.38797 1098.03806
315.0000 -227.70200 -213.52767 14.17432 3.11752 -212.84931 1081.55488
320.0000 -226.52264 -212.99195 13.53069 3.10225 -213.16505 1083.53614
325.0000 -225.38309 -210.02983 15.35326 3.20533 -211.03385 1091.93661
330.0000 -223.86829 -210.23053 13.63775 3.20712 -210.99688 1104.31363
335.0000 -225.86798 -212.81893 13.04905 3.17290 -211.70434 1094.74665
340.0000 -225.32773 -211.47087 13.85686 3.09331 -213.34973 1076.46308
345.0000 -224.98168 -210.11757 14.86411 3.24001 -210.31686 1128.60342
350.0000 -226.92974 -214.05295 12.87678 3.11506 -212.90020 1079.33968
355.0000 -227.37287 -213.94188 13.43099 3.07463 -213.73587 1050.45239
360.0000 -228.31600 -214.64449 13.67151 3.11065 -212.99133 1077.56183
365.0000 -226.45569 -213.39464 13.06105 3.08794 -213.46074 1065.84509
370.0000 -224.57357 -211.34852 13.22505 3.14095 -212.36492 1093.74258
375.0000 -226.58356 -214.07625 12.50731 3.08231 -213.57718 1063.12488
380.0000 -225.51584 -212.01090 13.50494 3.08003 -213.62425 1044.35922
385.0000 -224.84502 -212.95410 11.89092 3.15927 -211.98624 1098.62992
390.0000 -224.75800 -210.67257 14.08543 3.16543 -211.85875 1104.07874
395.0000 -224.93940 -211.73631 13.20308 3.26004 -209.90277 1172.99618
400.0000 -227.49054 -214.98259 12.50795 3.11014 -213.00194 1070.57805
405.0000 -227.56197 -215.43673 12.12524 2.98128 -215.66591 1000.29566
410.0000 -226.36581 -213.46426 12.90156 3.02852 -214.68916 1035.64479
415.0000 -224.48719 -211.65980 12.82739 3.09299 -213.35638 1018.95300
420.0000 -225.73074 -209.60270 16.12803 3.25423 -210.02300 1146.69106
425.0000 -223.42261 -209.81082 13.61179 3.18464 -211.46157 1117.35828
430.0000 -228.62294 -214.83736 13.78558 3.11926 -212.81324 1089.69640
435.0000 -223.94877 -210.65743 13.29134 3.14505 -212.28015 1081.71601
440.0000 -227.53445 -214.54867 12.98578 3.12121 -212.77299 1063.33914
445.0000 -227.42883 -214.32300 13.10583 3.05000 -214.24513 1052.93329
450.0000 -229.49176 -217.75910 11.73266 2.97903 -215.71237 1016.03065
455.0000 -227.94665 -216.70934 11.23731 2.97503 -215.79517 985.02787
460.0000 -225.70784 -212.02110 13.68674 3.05537 -214.13409 1037.50892
465.0000 -224.28182 -211.43884 12.84298 3.13129 -212.56458 1075.84551
470.0000 -223.83926 -211.54702 12.29224 3.18064 -211.54432 1086.53260
475.0000 -224.92491 -211.01381 13.91111 3.27892 -209.51261 1160.74788
480.0000 -225.35811 -211.38109 13.97702 3.23965 -210.32441 1183.15514
485.0000 -224.97400 -211.39500 13.57901 3.10272 -213.15519 1065.71311
490.0000 -225.66738 -211.57908 14.08830 3.15036 -212.17042 1097.47374
495.0000 -227.79174 -215.33413 12.45760 3.08483 -213.52506 1065.44028
500.0000 -228.91928 -215.60050 13.31878 3.00469 -215.18186 1013.34655
FREEZING PROCESS: loop number 3 T-loop= 1068.0000000000000
main_MD> interactions number 3 at Temperature= 1068.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43901 -0.93737 1.87955
force_rgl> df(natom) -1.63954 -1.11908 1.00281
505.0000 -225.77066 -212.89229 12.87837 3.06907 -213.85102 1032.07506
510.0000 -223.55900 -211.17669 12.38231 3.14997 -212.17841 1106.93707
515.0000 -224.46129 -210.87270 13.58860 3.16175 -211.93492 1114.94831
520.0000 -225.37339 -213.22212 12.15127 3.11593 -212.88205 1080.38779
525.0000 -226.68484 -213.40116 13.28367 3.11259 -212.95111 1081.46363
530.0000 -225.92535 -212.87893 13.04642 3.07867 -213.65247 1062.59604
535.0000 -225.05755 -211.58700 13.47054 3.16775 -211.81087 1100.53497
540.0000 -226.10999 -212.45835 13.65164 3.19261 -211.29686 1121.94707
545.0000 -225.35986 -211.72116 13.63870 3.14605 -212.25940 1079.45228
550.0000 -226.09298 -215.53086 10.56212 3.08500 -213.52153 1068.83196
555.0000 -227.16575 -214.27496 12.89079 3.06514 -213.93207 1025.07568
560.0000 -224.31165 -211.81636 12.49528 3.08345 -213.55357 1038.67158
565.0000 -225.87013 -213.66601 12.20412 3.10062 -213.19856 1061.68307
570.0000 -226.33355 -213.03381 13.29974 3.12570 -212.68010 1072.86895
575.0000 -227.79999 -212.06410 15.73589 3.10180 -213.17422 1084.99832
580.0000 -226.07874 -212.80637 13.27237 3.15486 -212.07735 1126.34052
585.0000 -224.89308 -211.99832 12.89476 3.09718 -213.26972 1061.98381
590.0000 -226.25540 -213.04952 13.20588 3.14675 -212.24498 1050.55748
595.0000 -226.22595 -213.32933 12.89662 3.08491 -213.52336 1071.82675
600.0000 -226.82046 -214.48906 12.33140 3.04307 -214.38833 1048.78561
605.0000 -226.71257 -214.45543 12.25715 3.00141 -215.24974 1018.36596
610.0000 -227.82166 -213.59932 14.22234 3.02471 -214.76798 1014.10602
615.0000 -227.11534 -213.70962 13.40571 3.05974 -214.04383 1027.10166
620.0000 -226.71212 -214.74672 11.96540 3.05505 -214.14067 1039.58584
625.0000 -229.38818 -217.98111 11.40707 2.93830 -216.55448 973.12350
630.0000 -228.23080 -217.55250 10.67830 2.87627 -217.83689 922.33601
635.0000 -227.75349 -213.49239 14.26110 2.99338 -215.41565 1010.84708
640.0000 -225.57337 -213.26710 12.30627 3.16115 -211.94733 1097.74439
645.0000 -226.02475 -213.08215 12.94259 3.16386 -211.89118 1083.92749
650.0000 -225.69056 -212.60182 13.08873 3.11142 -212.97534 1057.80508
655.0000 -225.54093 -209.57623 15.96470 3.14039 -212.37643 1105.76435
660.0000 -225.22121 -211.24106 13.98016 3.20600 -211.02012 1140.79255
665.0000 -226.26217 -211.62606 14.63611 3.19802 -211.18513 1126.82730
670.0000 -223.74280 -210.31595 13.42685 3.23561 -210.40794 1133.81917
675.0000 -226.27411 -213.58073 12.69338 3.15475 -212.07967 1064.23065
680.0000 -227.66319 -216.12511 11.53807 2.99657 -215.34986 999.24316
685.0000 -226.04083 -214.35296 11.68787 2.94564 -216.40261 953.89720
690.0000 -227.43190 -212.97677 14.45513 3.08301 -213.56280 1073.46870
695.0000 -225.27966 -211.94503 13.33463 3.14007 -212.38305 1062.16254
700.0000 -224.33587 -211.42823 12.90764 3.13625 -212.46209 1075.98887
705.0000 -224.72410 -213.21266 11.51144 3.14934 -212.19137 1074.61122
710.0000 -224.94340 -212.58057 12.36282 3.08535 -213.51444 1028.71831
715.0000 -227.32418 -212.61186 14.71232 3.10189 -213.17242 1047.01959
720.0000 -225.15645 -210.55070 14.60575 3.21633 -210.80658 1086.26293
725.0000 -225.93948 -212.77264 13.16684 3.13222 -212.54537 1081.04469
730.0000 -227.15935 -215.50721 11.65214 3.07681 -213.69095 1036.15072
735.0000 -230.78380 -218.63925 12.14455 2.93209 -216.68272 952.19483
740.0000 -228.43169 -216.91771 11.51398 2.84555 -218.47193 913.54076
745.0000 -229.40439 -218.62514 10.77925 2.92340 -216.86253 959.39806
750.0000 -227.45819 -215.47801 11.98019 2.88975 -217.55803 937.86867
FREEZING PROCESS: loop number 4 T-loop= 1043.0000000000000
main_MD> interactions number 4 at Temperature= 1043.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.88617 0.53732 3.03674
force_rgl> df(natom) 0.58083 -0.78135 4.66310
755.0000 -228.51233 -217.10802 11.40431 2.96406 -216.02180 957.16534
760.0000 -228.26685 -217.22989 11.03696 2.92162 -216.89926 950.14460
765.0000 -228.94389 -217.07947 11.86441 2.90340 -217.27597 952.92304
770.0000 -227.03968 -214.29536 12.74432 2.98370 -215.61577 994.59658
775.0000 -227.62062 -212.31338 15.30724 3.10382 -213.13245 1067.94162
780.0000 -227.39416 -214.75967 12.63449 3.09566 -213.30118 1043.81743
785.0000 -224.87192 -212.90770 11.96422 3.06349 -213.96625 1044.21551
790.0000 -227.08410 -213.69406 13.39004 3.12988 -212.59369 1075.11661
795.0000 -226.94302 -213.17215 13.77087 3.06736 -213.88629 1080.57656
800.0000 -226.01340 -213.91278 12.10062 3.09150 -213.38719 1070.86877
805.0000 -227.23315 -214.13305 13.10010 3.04106 -214.43006 1039.18586
810.0000 -226.02917 -213.19754 12.83163 3.06534 -213.92802 1067.82952
815.0000 -227.38142 -215.54623 11.83518 3.03692 -214.51565 1028.11913
820.0000 -225.31714 -214.68633 10.63081 2.99363 -215.41046 1016.56111
825.0000 -224.38319 -209.07950 15.30368 3.16635 -211.83968 1115.59138
830.0000 -227.02896 -215.85109 11.17788 3.11436 -212.91452 1077.39198
835.0000 -228.09277 -215.59316 12.49961 2.98065 -215.67888 1019.96976
840.0000 -227.03834 -213.95029 13.08805 3.01679 -214.93164 1017.39893
845.0000 -224.16055 -214.03872 10.12183 3.05344 -214.17414 1031.23797
850.0000 -227.36659 -215.37649 11.99011 3.04630 -214.32156 1016.59475
855.0000 -227.45945 -215.71142 11.74804 3.00380 -215.20025 994.73102
860.0000 -224.39683 -211.79527 12.60156 3.03776 -214.49815 1030.22194
865.0000 -228.41775 -214.40238 14.01537 3.10446 -213.11933 1063.53820
870.0000 -226.26390 -212.98736 13.27655 3.06975 -213.83684 1047.35362
875.0000 -226.90796 -214.09406 12.81390 3.00615 -215.15167 1014.21113
880.0000 -226.70753 -214.46006 12.24747 3.02415 -214.77968 1036.67711
885.0000 -226.71662 -213.46882 13.24780 3.08556 -213.50999 1069.97538
890.0000 -227.99511 -215.16640 12.82870 3.09166 -213.38379 1073.34983
895.0000 -225.02856 -212.17330 12.85526 3.04993 -214.24656 1042.99100
900.0000 -226.65170 -213.99414 12.65757 3.12038 -212.79007 1103.34012
905.0000 -226.95491 -213.38454 13.57037 3.05794 -214.08099 1049.99711
910.0000 -225.92725 -212.18267 13.74458 3.12120 -212.77312 1078.41593
915.0000 -224.98372 -212.32946 12.65427 3.15857 -212.00063 1077.79465
920.0000 -225.68993 -212.85651 12.83343 3.11067 -212.99090 1079.74672
925.0000 -223.19670 -209.83376 13.36294 3.21746 -210.78320 1096.86558
930.0000 -225.15688 -211.42902 13.72786 3.20848 -210.96882 1124.68877
935.0000 -226.04730 -212.34829 13.69901 3.21495 -210.83507 1138.44135
940.0000 -226.36084 -211.89169 14.46916 3.12662 -212.66108 1084.52147
945.0000 -226.36648 -210.95061 15.41587 3.16568 -211.85358 1094.66073
950.0000 -224.89316 -210.61665 14.27651 3.15667 -212.03996 1110.53053
955.0000 -226.45852 -214.55714 11.90138 3.16732 -211.81969 1128.64259
960.0000 -227.17710 -215.12237 12.05473 3.02012 -214.86295 1028.73269
965.0000 -227.40032 -214.21524 13.18509 3.07002 -213.83129 1041.66158
970.0000 -228.01593 -215.30446 12.71146 3.08260 -213.57127 1054.94740
975.0000 -226.16520 -214.00985 12.15534 3.03969 -214.45827 1027.45275
980.0000 -227.83024 -214.33305 13.49718 3.06895 -213.85350 1049.04255
985.0000 -228.69249 -216.63289 12.05960 3.06286 -213.97931 1070.21002
990.0000 -225.84180 -211.72686 14.11494 3.03908 -214.47083 1041.78852
995.0000 -226.17070 -212.96986 13.20084 3.11959 -212.80645 1081.34411
1000.0000 -226.88606 -215.55909 11.32697 3.09254 -213.36561 1067.12855
FREEZING PROCESS: loop number 5 T-loop= 1018.0000000000000
main_MD> interactions number 5 at Temperature= 1018.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14397 -0.49327 0.42186
force_rgl> df(natom) 2.02640 -0.83123 5.64290
1005.0000 -226.28475 -213.66902 12.61573 3.04022 -214.44734 1016.67365
1010.0000 -229.60259 -217.47776 12.12483 3.03971 -214.45783 1011.05556
1015.0000 -226.23839 -214.01733 12.22106 2.95777 -216.15191 960.53201
1020.0000 -225.34353 -214.43336 10.91017 3.04981 -214.24917 1024.21534
1025.0000 -225.21618 -212.05348 13.16270 3.12814 -212.62970 1049.98883
1030.0000 -226.23529 -213.50375 12.73153 3.13036 -212.58383 1083.45342
1035.0000 -226.86843 -216.33893 10.52950 3.03807 -214.49174 1011.34390
1040.0000 -226.81565 -214.42326 12.39239 3.05488 -214.14429 1029.82621
1045.0000 -226.29935 -212.33613 13.96322 3.07816 -213.66306 1040.24356
1050.0000 -226.76751 -214.93946 11.82805 3.08419 -213.53823 1073.45168
1055.0000 -227.40873 -212.65202 14.75671 3.04191 -214.41243 1023.16803
1060.0000 -225.11761 -214.76145 10.35616 3.09054 -213.40699 1040.88761
1065.0000 -228.21102 -216.83792 11.37311 2.99760 -215.32851 999.03046
1070.0000 -229.13316 -218.74543 10.38773 2.90561 -217.23034 932.44163
1075.0000 -227.55918 -216.61274 10.94644 2.89214 -217.50878 962.40594
1080.0000 -226.69966 -214.25483 12.44483 3.01405 -214.98833 1044.63233
1085.0000 -228.30334 -215.67592 12.62742 3.00098 -215.25857 1012.27842
1090.0000 -228.64457 -217.08586 11.55871 3.03009 -214.65680 1012.75398
1095.0000 -226.41662 -211.82969 14.58692 3.02873 -214.68486 1034.15779
1100.0000 -225.98113 -214.87686 11.10427 3.10494 -213.10926 1069.66550
1105.0000 -227.82129 -216.86155 10.95975 2.97550 -215.78542 978.90862
1110.0000 -227.96114 -216.10401 11.85713 2.92892 -216.74835 998.32270
1115.0000 -226.19628 -212.01450 14.18178 3.05937 -214.05149 1044.07411
1120.0000 -225.02499 -213.26907 11.75591 3.10011 -213.20920 1066.12763
1125.0000 -229.56016 -215.55134 14.00882 3.06848 -213.86318 1050.64358
1130.0000 -226.70455 -212.33469 14.36987 3.12489 -212.69695 1082.91905
1135.0000 -226.86132 -215.58984 11.27148 3.09054 -213.40715 1091.25018
1140.0000 -226.30910 -212.87301 13.43609 3.06712 -213.89133 1048.42477
1145.0000 -227.30768 -213.78969 13.51799 3.07896 -213.64644 1054.67857
1150.0000 -227.79425 -214.69125 13.10300 3.02927 -214.67374 1002.80602
1155.0000 -226.07791 -213.30196 12.77595 3.04745 -214.29785 1042.78217
1160.0000 -224.55213 -212.20653 12.34559 3.14285 -212.32552 1078.11079
1165.0000 -226.07424 -213.75463 12.31961 3.12367 -212.72217 1109.05270
1170.0000 -225.59515 -215.33876 10.25639 3.06510 -213.93304 1060.54464
1175.0000 -225.34482 -213.91479 11.43002 3.08270 -213.56915 1053.19318
1180.0000 -226.37778 -213.68430 12.69348 3.04941 -214.25735 1024.41726
1185.0000 -226.94096 -215.21940 11.72156 3.05727 -214.09492 1016.73903
1190.0000 -229.41949 -216.05506 13.36444 2.99182 -215.44795 1029.04415
1195.0000 -227.76773 -215.17734 12.59038 3.00467 -215.18230 1023.24689
1200.0000 -228.51964 -216.46276 12.05687 3.04569 -214.33423 1018.61108
1205.0000 -228.93680 -216.79267 12.14413 2.91903 -216.95277 964.02336
1210.0000 -226.44258 -215.43345 11.00914 2.90251 -217.29433 931.23610
1215.0000 -227.13722 -214.21774 12.91948 3.00041 -215.27045 1010.30446
1220.0000 -225.35375 -212.65026 12.70349 3.06658 -213.90234 1008.17812
1225.0000 -226.38326 -213.79244 12.59082 3.08963 -213.42579 1047.44658
1230.0000 -225.26532 -211.58467 13.68064 3.10645 -213.07819 1072.69138
1235.0000 -229.51330 -215.72368 13.78962 3.05115 -214.22129 1069.40384
1240.0000 -229.59795 -214.78042 14.81753 3.02668 -214.72732 1049.49459
1245.0000 -226.62537 -215.78517 10.84020 3.00012 -215.27645 1001.42369
1250.0000 -226.08692 -213.40903 12.67789 2.94490 -216.41792 950.87556
FREEZING PROCESS: loop number 6 T-loop= 993.00000000000000
main_MD> interactions number 6 at Temperature= 993.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71835 2.57881 -0.54867
force_rgl> df(natom) 1.21578 1.17355 -0.93996
1255.0000 -225.49627 -212.71224 12.78403 3.09127 -213.39190 1076.45379
1260.0000 -226.67878 -213.26743 13.41136 3.08483 -213.52515 1072.27512
1265.0000 -227.89376 -216.73050 11.16326 3.03660 -214.52227 1018.37674
1270.0000 -227.72430 -217.32134 10.40296 2.90712 -217.19897 954.49662
1275.0000 -228.59727 -215.57945 13.01782 2.94164 -216.48533 978.18019
1280.0000 -228.68300 -217.34705 11.33595 2.94545 -216.40661 967.97616
1285.0000 -229.92994 -217.82386 12.10607 2.85785 -218.21766 947.64105
1290.0000 -228.42882 -215.90709 12.52173 2.93215 -216.68151 1001.97965
1295.0000 -227.55754 -215.38209 12.17545 2.92360 -216.85824 954.00415
1300.0000 -227.94483 -216.17579 11.76904 3.01615 -214.94506 1022.52403
1305.0000 -228.44501 -215.39926 13.04575 2.93737 -216.57366 962.33948
1310.0000 -226.79264 -215.94457 10.84807 2.94883 -216.33682 969.58323
1315.0000 -228.65393 -217.57824 11.07569 2.99320 -215.41950 997.69582
1320.0000 -228.34685 -217.75410 10.59275 2.92637 -216.80113 986.42247
1325.0000 -229.47783 -218.12366 11.35417 2.90402 -217.26303 932.46580
1330.0000 -228.07025 -216.85961 11.21064 2.90646 -217.21261 955.24636
1335.0000 -226.15135 -213.73234 12.41900 3.05237 -214.19622 1026.38134
1340.0000 -229.13709 -216.67329 12.46379 3.02089 -214.84701 997.16600
1345.0000 -227.23551 -216.95798 10.27752 2.92864 -216.75411 947.31033
1350.0000 -227.95729 -217.04338 10.91391 2.89327 -217.48531 944.88133
1355.0000 -226.64894 -213.80799 12.84096 3.00386 -215.19902 1013.80456
1360.0000 -228.56555 -215.42455 13.14100 2.97929 -215.70704 985.40667
1365.0000 -225.66409 -213.00449 12.65960 3.06997 -213.83240 1041.91474
1370.0000 -226.45653 -214.20963 12.24690 3.01459 -214.97727 1017.81943
1375.0000 -227.31297 -215.85255 11.46042 3.03891 -214.47445 1047.62805
1380.0000 -226.26694 -214.50059 11.76635 2.99099 -215.46521 977.51316
1385.0000 -227.15519 -213.80579 13.34941 3.01075 -215.05659 977.02230
1390.0000 -226.89875 -215.64769 11.25106 3.01148 -215.04160 1021.73493
1395.0000 -227.51702 -213.97146 13.54556 2.98049 -215.68213 987.78917
1400.0000 -227.21646 -214.66371 12.55275 3.03573 -214.54017 1037.51016
1405.0000 -229.28280 -215.53860 13.74419 3.02758 -214.70865 1046.67867
1410.0000 -227.97751 -215.54317 12.43434 3.04363 -214.37681 1029.11194
1415.0000 -226.22728 -211.97462 14.25266 3.04991 -214.24696 1026.44978
1420.0000 -226.71884 -212.20044 14.51841 3.18057 -211.54570 1122.80912
1425.0000 -227.07541 -213.64410 13.43131 3.16702 -211.82587 1130.75673
1430.0000 -227.05609 -212.95090 14.10519 3.07876 -213.65051 1071.02755
1435.0000 -227.77298 -214.39434 13.37863 3.02880 -214.68341 1024.02700
1440.0000 -226.83563 -215.83002 11.00561 3.03824 -214.48832 1045.92778
1445.0000 -226.72103 -214.62974 12.09129 3.03126 -214.63267 1031.12457
1450.0000 -228.79399 -217.52936 11.26463 2.89836 -217.38005 923.80464
1455.0000 -227.55664 -215.53845 12.01819 2.88893 -217.57513 912.83113
1460.0000 -227.01553 -214.73399 12.28154 2.96727 -215.95550 978.63767
1465.0000 -226.13064 -212.13710 13.99354 3.13052 -212.58052 1088.88084
1470.0000 -227.28658 -214.02138 13.26520 3.09618 -213.29039 1067.65806
1475.0000 -226.82346 -214.63869 12.18477 3.05438 -214.15452 1044.87883
1480.0000 -228.07975 -214.98885 13.09090 3.04521 -214.34418 1040.22221
1485.0000 -229.06903 -215.84428 13.22475 3.02654 -214.73013 1035.51156
1490.0000 -226.47564 -212.65020 13.82544 3.07503 -213.72769 1058.62953
1495.0000 -225.83002 -213.30439 12.52564 3.07655 -213.69630 1041.49104
1500.0000 -228.45365 -216.67833 11.77532 3.00008 -215.27719 994.13618
FREEZING PROCESS: loop number 7 T-loop= 968.00000000000000
main_MD> interactions number 7 at Temperature= 968.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94363 2.32197 -2.38886
force_rgl> df(natom) 3.15492 -1.07946 -0.59592
1505.0000 -228.56477 -216.43387 12.13090 2.91537 -217.02837 945.34174
1510.0000 -227.51774 -215.54285 11.97489 3.00196 -215.23830 1020.24079
1515.0000 -229.68171 -219.01439 10.66732 2.92423 -216.84530 972.42392
1520.0000 -228.93259 -216.44702 12.48557 2.90241 -217.29635 952.18369
1525.0000 -226.36552 -215.39549 10.97003 2.94847 -216.34418 996.37063
1530.0000 -228.42901 -215.03639 13.39262 3.02872 -214.68500 1024.06586
1535.0000 -228.43677 -216.25909 12.17768 2.98814 -215.52395 1003.26628
1540.0000 -228.81013 -216.53488 12.27525 2.89103 -217.53167 956.76411
1545.0000 -227.68422 -214.85457 12.82965 2.96313 -216.04113 974.40467
1550.0000 -223.88838 -214.05842 9.82996 3.05713 -214.09771 1019.35183
1555.0000 -226.36628 -212.67412 13.69217 3.09539 -213.30669 1011.28142
1560.0000 -227.30805 -215.90330 11.40475 3.02015 -214.86233 1028.18286
1565.0000 -229.67381 -217.68562 11.98819 2.86432 -218.08379 938.65290
1570.0000 -225.62682 -214.52649 11.10033 2.96834 -215.93332 950.06606
1575.0000 -226.37824 -215.58235 10.79589 3.03517 -214.55168 1040.82702
1580.0000 -227.57864 -215.62779 11.95084 2.96818 -215.93661 988.56533
1585.0000 -229.54366 -219.13028 10.41339 2.92953 -216.73567 966.28832
1590.0000 -228.17707 -216.55093 11.62614 2.87096 -217.94664 922.11586
1595.0000 -228.69261 -217.36807 11.32454 2.99262 -215.43143 980.90244
1600.0000 -230.79281 -218.55221 12.24060 2.90152 -217.31482 962.07667
1605.0000 -228.85607 -215.91356 12.94251 2.84811 -218.41903 927.49565
1610.0000 -224.65389 -213.89667 10.75722 3.05952 -214.04836 1029.72051
1615.0000 -229.49072 -217.40624 12.08448 2.96377 -216.02785 969.87593
1620.0000 -227.00234 -215.64896 11.35339 2.95327 -216.24496 953.22553
1625.0000 -228.00311 -216.42774 11.57537 2.96577 -215.98654 993.82063
1630.0000 -230.36581 -218.60542 11.76038 2.90329 -217.27816 921.08700
1635.0000 -229.59303 -218.42803 11.16500 2.90026 -217.34075 923.92452
1640.0000 -230.02291 -218.65700 11.36591 2.87253 -217.91407 931.18186
1645.0000 -229.37467 -217.62131 11.75336 2.85661 -218.24334 934.72856
1650.0000 -228.30185 -217.86012 10.44173 2.90662 -217.20945 949.87747
1655.0000 -229.61645 -218.08223 11.53422 2.83994 -218.58781 915.92510
1660.0000 -227.51628 -214.67534 12.84095 2.95437 -216.22210 961.91107
1665.0000 -228.50607 -217.07355 11.43253 2.99078 -215.46945 974.10640
1670.0000 -227.95740 -216.09819 11.85922 2.93058 -216.71407 967.42881
1675.0000 -230.26418 -219.33621 10.92796 2.88234 -217.71142 928.51244
1680.0000 -229.68384 -219.01701 10.66682 2.86091 -218.15438 918.80707
1685.0000 -230.86595 -219.71231 11.15365 2.81719 -219.05816 888.61719
1690.0000 -231.84102 -220.96445 10.87656 2.82198 -218.95912 914.09331
1695.0000 -232.48950 -222.24681 10.24269 2.67834 -221.92872 822.43414
1700.0000 -228.72670 -218.90247 9.82423 2.76751 -220.08518 863.25882
1705.0000 -229.06690 -217.63388 11.43302 2.82423 -218.91269 876.20357
1710.0000 -228.28795 -215.53677 12.75117 2.89035 -217.54578 918.20717
1715.0000 -227.03814 -215.49639 11.54175 2.98590 -215.57031 1013.47960
1720.0000 -228.91325 -214.75698 14.15628 3.03277 -214.60142 1016.43769
1725.0000 -226.67951 -215.24606 11.43345 2.98435 -215.60240 1003.85440
1730.0000 -229.90289 -215.86546 14.03744 3.01736 -214.92004 1012.03118
1735.0000 -228.65227 -217.83446 10.81780 2.93371 -216.64928 944.82803
1740.0000 -228.65866 -218.25843 10.40024 2.88250 -217.70791 929.67274
1745.0000 -228.13565 -214.71880 13.41685 2.91826 -216.96881 956.18897
1750.0000 -225.67680 -213.12032 12.55648 3.09751 -213.26298 1066.05461
FREEZING PROCESS: loop number 8 T-loop= 943.00000000000000
main_MD> interactions number 8 at Temperature= 943.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22906 0.77773 -0.59888
force_rgl> df(natom) -6.86686 -7.57235 2.27468
1755.0000 -228.02088 -217.31998 10.70089 3.00589 -215.15715 999.40474
1760.0000 -226.19218 -216.24248 9.94970 2.93119 -216.70131 947.79311
1765.0000 -228.05928 -215.06266 12.99662 3.00442 -215.18755 1011.97924
1770.0000 -228.76996 -217.85289 10.91707 2.93128 -216.69963 961.89165
1775.0000 -229.46744 -217.02486 12.44257 2.90667 -217.20830 944.89740
1780.0000 -228.63028 -217.80892 10.82136 2.90202 -217.30455 944.73948
1785.0000 -229.28532 -219.43715 9.84817 2.83282 -218.73509 880.55878
1790.0000 -227.90851 -216.72835 11.18017 2.83845 -218.61875 896.31245
1795.0000 -228.15683 -215.76461 12.39222 2.97375 -215.82151 1010.61865
1800.0000 -231.24769 -216.99820 14.24950 2.92481 -216.83334 971.71536
1805.0000 -229.21221 -219.56631 9.64590 2.88556 -217.64479 927.17385
1810.0000 -230.67444 -219.37956 11.29488 2.78741 -219.67384 867.81805
1815.0000 -228.88558 -218.30808 10.57749 2.85239 -218.33058 920.94247
1820.0000 -228.88900 -216.54201 12.34699 2.92855 -216.75607 970.24796
1825.0000 -228.44837 -217.00082 11.44755 2.93625 -216.59672 977.98806
1830.0000 -229.33025 -217.53061 11.79965 2.87878 -217.78487 935.73983
1835.0000 -228.31402 -217.45189 10.86213 2.92956 -216.73509 943.41258
1840.0000 -227.99758 -216.87183 11.12576 2.89000 -217.55297 938.02834
1845.0000 -229.17931 -217.87968 11.29963 2.86688 -218.03095 899.81951
1850.0000 -227.98448 -215.08429 12.90018 2.99011 -215.48324 1007.26713
1855.0000 -228.92278 -215.92034 13.00244 2.98478 -215.59346 1014.77046
1860.0000 -227.91763 -217.71306 10.20456 2.89578 -217.43353 940.79800
1865.0000 -228.18348 -216.61376 11.56972 2.94598 -216.39573 999.85002
1870.0000 -230.14428 -218.36569 11.77859 2.90359 -217.27192 944.85327
1875.0000 -228.63610 -217.94817 10.68793 2.87818 -217.79727 915.59085
1880.0000 -226.81660 -214.56863 12.24797 2.87231 -217.91859 934.95161
1885.0000 -230.05823 -218.77442 11.28381 2.94148 -216.48858 956.03243
1890.0000 -229.95556 -218.91010 11.04546 2.87462 -217.87085 939.43794
1895.0000 -227.97540 -217.82401 10.15139 2.82855 -218.82336 908.35100
1900.0000 -227.30247 -216.77140 10.53107 2.86931 -217.98071 904.71003
1905.0000 -231.32483 -218.27694 13.04789 2.93390 -216.64533 986.37024
1910.0000 -230.40138 -219.34763 11.05375 2.85975 -218.17833 914.33743
1915.0000 -228.91916 -217.07140 11.84776 2.82796 -218.83559 891.66241
1920.0000 -229.50020 -218.49973 11.00046 2.87796 -217.80185 930.84008
1925.0000 -230.31471 -219.26114 11.05357 2.79358 -219.54624 879.69222
1930.0000 -228.31467 -218.15973 10.15494 2.83961 -218.59468 904.33387
1935.0000 -228.67477 -216.36258 12.31219 2.94073 -216.50424 988.62574
1940.0000 -227.53229 -214.63514 12.89714 2.98874 -215.51165 974.83590
1945.0000 -228.98747 -217.37360 11.61387 2.97332 -215.83037 986.32633
1950.0000 -229.80946 -217.84252 11.96694 2.88046 -217.75017 936.79636
1955.0000 -226.99397 -216.08357 10.91040 2.90419 -217.25952 928.91916
1960.0000 -228.64364 -217.52956 11.11408 2.89491 -217.45139 936.64714
1965.0000 -229.21773 -216.72347 12.49426 2.89200 -217.51155 941.26395
1970.0000 -228.65828 -215.93480 12.72348 2.93757 -216.56955 958.98554
1975.0000 -227.50169 -217.42434 10.07735 2.91721 -216.99052 941.95896
1980.0000 -230.20789 -219.56317 10.64472 2.80908 -219.22596 890.49309
1985.0000 -228.92174 -218.61668 10.30506 2.80933 -219.22066 901.14995
1990.0000 -229.30020 -218.93683 10.36337 2.86775 -218.01290 931.00997
1995.0000 -228.99441 -217.50576 11.48865 2.86202 -218.13133 929.49565
2000.0000 -227.19770 -215.22165 11.97606 2.96972 -215.90491 973.72919
FREEZING PROCESS: loop number 9 T-loop= 918.00000000000000
main_MD> interactions number 9 at Temperature= 918.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66297 1.64436 -0.50876
force_rgl> df(natom) 2.68174 -2.89883 -4.22632
2005.0000 -229.15377 -219.08066 10.07311 2.93849 -216.55051 978.43548
2010.0000 -229.95873 -219.75341 10.20533 2.82934 -218.80707 912.08009
2015.0000 -229.31119 -218.13241 11.17878 2.81111 -219.18396 912.27834
2020.0000 -228.87420 -215.68144 13.19277 2.94532 -216.40926 963.58879
2025.0000 -227.72916 -215.38109 12.34807 2.98812 -215.52452 994.57626
2030.0000 -228.38278 -215.17750 13.20528 3.00095 -215.25921 990.62925
2035.0000 -227.33504 -214.18349 13.15155 3.01019 -215.06823 1004.14539
2040.0000 -228.76203 -218.05198 10.71005 2.96672 -215.96695 983.12475
2045.0000 -227.92172 -216.40092 11.52080 2.89372 -217.47602 912.09877
2050.0000 -228.02098 -214.97485 13.04613 2.99854 -215.30913 1007.59352
2055.0000 -227.91451 -216.72793 11.18658 2.94984 -216.31574 983.26321
2060.0000 -228.98527 -216.45699 12.52828 2.84156 -218.55431 889.67434
2065.0000 -226.01275 -213.48641 12.52634 3.00824 -215.10842 998.81478
2070.0000 -228.85041 -216.99083 11.85958 3.00975 -215.07737 1005.45043
2075.0000 -227.18869 -216.05309 11.13561 2.92483 -216.83283 971.91409
2080.0000 -228.76581 -215.07901 13.68680 2.99240 -215.43601 989.11413
2085.0000 -227.64928 -216.43596 11.21331 2.99859 -215.30807 1018.85857
2090.0000 -228.80721 -217.92890 10.87831 2.91242 -217.08954 945.63824
2095.0000 -227.44232 -215.18787 12.25445 2.98394 -215.61082 968.43509
2100.0000 -228.67197 -216.75796 11.91401 2.97384 -215.81966 989.23200
2105.0000 -229.31262 -217.60984 11.70278 2.91256 -217.08651 971.22880
2110.0000 -230.74995 -221.36926 9.38069 2.79799 -219.45523 887.75826
2115.0000 -228.96197 -218.74086 10.22111 2.75274 -220.39067 870.87119
2120.0000 -230.30791 -219.39642 10.91149 2.79888 -219.43679 904.46456
2125.0000 -228.86468 -217.68103 11.18365 2.80303 -219.35103 896.01812
2130.0000 -230.25416 -220.39389 9.86027 2.76937 -220.04673 863.44370
2135.0000 -231.32034 -221.50711 9.81323 2.70992 -221.27591 826.15529
2140.0000 -229.76436 -219.20023 10.56414 2.75372 -220.37045 861.44719
2145.0000 -231.69825 -219.05256 12.64570 2.80361 -219.33892 891.03692
2150.0000 -230.21086 -217.55603 12.65483 2.85678 -218.23964 951.08037
2155.0000 -227.93300 -216.05307 11.87992 2.89300 -217.49104 928.18172
2160.0000 -230.24485 -217.00313 13.24172 2.94750 -216.36419 988.02074
2165.0000 -230.30974 -217.59223 12.71751 2.91036 -217.13212 955.94809
2170.0000 -229.86267 -218.65397 11.20870 2.84956 -218.38898 943.83995
2175.0000 -231.85992 -219.05695 12.80296 2.86214 -218.12886 939.84935
2180.0000 -227.85663 -216.44299 11.41364 2.89221 -217.50720 919.34930
2185.0000 -230.07198 -217.40344 12.66853 2.95429 -216.22375 974.96782
2190.0000 -227.80600 -215.29046 12.51554 2.91128 -217.11300 978.74193
2195.0000 -229.81920 -217.73333 12.08588 2.92508 -216.82765 960.36645
2200.0000 -230.14558 -217.47864 12.66694 2.89157 -217.52059 927.19804
2205.0000 -230.06676 -220.34788 9.71888 2.82217 -218.95523 905.94891
2210.0000 -230.03734 -219.04027 10.99707 2.80661 -219.27688 863.83806
2215.0000 -228.83014 -215.96515 12.86499 2.86661 -218.03660 943.96944
2220.0000 -228.74041 -216.39173 12.34868 2.93561 -216.61010 920.97408
2225.0000 -227.19734 -215.29200 11.90534 2.96972 -215.90481 980.54321
2230.0000 -228.50039 -214.66437 13.83602 3.01254 -215.01953 1007.28408
2235.0000 -227.46541 -215.35219 12.11322 2.98928 -215.50039 1007.41797
2240.0000 -227.85250 -215.43247 12.42003 3.03116 -214.63475 1031.52352
2245.0000 -227.97210 -215.28034 12.69175 2.95087 -216.29457 956.78814
2250.0000 -229.79970 -216.19308 13.60662 2.95129 -216.28589 972.30625
FREEZING PROCESS: loop number 10 T-loop= 893.00000000000000
main_MD> interactions number 10 at Temperature= 893.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12564 4.50395 -4.60804
force_rgl> df(natom) 2.89805 0.21262 -0.97358
2255.0000 -228.39004 -215.75602 12.63402 3.00175 -215.24270 1012.58758
2260.0000 -228.44023 -216.83966 11.60057 2.92429 -216.84411 945.79072
2265.0000 -228.54674 -216.01175 12.53499 2.94278 -216.46182 988.96089
2270.0000 -229.20136 -218.41744 10.78392 2.85047 -218.37014 922.25046
2275.0000 -230.26668 -219.46164 10.80504 2.79764 -219.46233 866.43012
2280.0000 -229.54324 -218.60225 10.94099 2.81259 -219.15326 895.77736
2285.0000 -228.55640 -217.77982 10.77658 2.83110 -218.77054 909.56806
2290.0000 -228.55509 -217.99469 10.56040 2.84637 -218.45489 898.91411
2295.0000 -231.88812 -220.97167 10.91645 2.74272 -220.59775 841.74942
2300.0000 -228.42195 -217.22465 11.19731 2.82151 -218.96882 900.76056
2305.0000 -229.68492 -219.37193 10.31299 2.88310 -217.69558 930.27510
2310.0000 -229.73290 -219.21135 10.52155 2.80452 -219.32006 897.61358
2315.0000 -229.92208 -219.06114 10.86094 2.81280 -219.14905 892.44929
2320.0000 -228.46967 -218.29913 10.17055 2.84120 -218.56188 905.80846
2325.0000 -229.58968 -218.14914 11.44054 2.83353 -218.72046 890.66785
2330.0000 -231.93661 -220.68746 11.24915 2.78053 -219.81602 870.84126
2335.0000 -229.63212 -219.15967 10.47244 2.78819 -219.65780 862.22917
2340.0000 -228.89155 -218.83249 10.05906 2.84866 -218.40761 925.76796
2345.0000 -230.21177 -219.86184 10.34993 2.80875 -219.23273 862.27893
2350.0000 -231.55052 -221.79133 9.75918 2.71736 -221.12213 845.38161
2355.0000 -229.92385 -219.87253 10.05132 2.71964 -221.07486 835.49758
2360.0000 -230.57411 -219.95713 10.61697 2.77225 -219.98729 852.78202
2365.0000 -229.48371 -218.57801 10.90570 2.81071 -219.19225 893.64348
2370.0000 -230.02967 -218.19110 11.83858 2.88810 -217.59227 918.26840
2375.0000 -229.12113 -217.61711 11.50402 2.85192 -218.34017 896.57422
2380.0000 -229.29178 -217.64608 11.64569 2.92892 -216.74826 959.86447
2385.0000 -229.88105 -219.20503 10.67602 2.87838 -217.79313 948.28214
2390.0000 -227.82997 -217.61791 10.21206 2.88957 -217.56184 915.58987
2395.0000 -230.27232 -216.74305 13.52928 2.87868 -217.78693 931.21204
2400.0000 -231.15330 -219.93519 11.21811 2.86979 -217.97075 949.66739
2405.0000 -228.93971 -217.96584 10.97386 2.78133 -219.79966 875.67935
2410.0000 -231.03718 -219.71247 11.32472 2.83065 -218.77985 911.41462
2415.0000 -230.64918 -218.53588 12.11330 2.81000 -219.20680 915.29694
2420.0000 -231.00114 -221.08720 9.91394 2.78427 -219.73869 886.73289
2425.0000 -228.48965 -217.81557 10.67408 2.81324 -219.13992 881.52066
2430.0000 -229.99049 -219.72785 10.26264 2.83256 -218.74037 921.11071
2435.0000 -229.82122 -220.26691 9.55431 2.77316 -219.96848 828.26269
2440.0000 -228.42845 -219.21983 9.20862 2.79668 -219.48221 877.36516
2445.0000 -228.58255 -218.13929 10.44327 2.80253 -219.36127 878.67281
2450.0000 -229.38881 -217.43783 11.95098 2.87458 -217.87173 928.59394
2455.0000 -226.97503 -215.31035 11.66468 2.93265 -216.67131 969.46694
2460.0000 -227.62845 -214.78412 12.84434 3.00091 -215.26013 1009.11392
2465.0000 -228.68971 -217.05856 11.63115 2.94266 -216.46418 986.99293
2470.0000 -229.10391 -217.91438 11.18953 2.82909 -218.81218 905.63622
2475.0000 -228.29430 -217.13681 11.15749 2.91517 -217.03260 942.59736
2480.0000 -228.76217 -216.58129 12.18088 2.90843 -217.17190 941.34447
2485.0000 -230.53880 -219.77468 10.76411 2.90579 -217.22660 938.63261
2490.0000 -230.39077 -219.56302 10.82775 2.81400 -219.12422 900.92838
2495.0000 -229.90372 -219.87413 10.02959 2.84304 -218.52388 913.39651
2500.0000 -230.61695 -219.68546 10.93149 2.79156 -219.58808 871.53856
FREEZING PROCESS: loop number 11 T-loop= 868.00000000000000
main_MD> interactions number 11 at Temperature= 868.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97714 1.36708 1.82004
force_rgl> df(natom) 0.50460 2.23752 -0.72102
2505.0000 -230.93329 -220.36358 10.56971 2.75465 -220.35106 859.11489
2510.0000 -228.78263 -218.60913 10.17350 2.78779 -219.66605 862.97800
2515.0000 -228.56708 -219.39732 9.16976 2.80339 -219.34348 874.07939
2520.0000 -230.03827 -219.92533 10.11294 2.83973 -218.59231 899.30180
2525.0000 -228.66295 -219.51527 9.14768 2.80581 -219.29355 854.01587
2530.0000 -231.36997 -220.96202 10.40796 2.76437 -220.15015 849.96712
2535.0000 -230.82067 -220.13673 10.68394 2.80237 -219.36459 853.13118
2540.0000 -229.93158 -219.98394 9.94764 2.80893 -219.22900 878.11683
2545.0000 -229.93842 -218.66845 11.26997 2.77493 -219.93179 866.81398
2550.0000 -230.23575 -219.71857 10.51718 2.81713 -219.05941 897.12977
2555.0000 -229.04728 -219.24476 9.80251 2.87285 -217.90752 938.04421
2560.0000 -229.49544 -218.92401 10.57143 2.81053 -219.19597 885.31450
2565.0000 -230.59923 -219.07136 11.52787 2.82452 -218.90670 898.55066
2570.0000 -230.21304 -220.27296 9.94008 2.85540 -218.26834 920.09000
2575.0000 -230.93959 -222.51511 8.42448 2.68246 -221.84366 809.42770
2580.0000 -230.24329 -220.44985 9.79343 2.67060 -222.08877 776.54866
2585.0000 -229.71805 -218.21542 11.50263 2.81942 -219.01212 882.78868
2590.0000 -229.14550 -219.16630 9.97920 2.85646 -218.24642 910.49653
2595.0000 -228.16418 -216.39302 11.77116 2.85351 -218.30735 915.81144
2600.0000 -228.93158 -217.18220 11.74937 2.92595 -216.80970 957.43614
2605.0000 -230.90154 -219.28230 11.61924 2.89354 -217.47969 959.80598
2610.0000 -229.86418 -220.43841 9.42578 2.76827 -220.06962 851.94222
2615.0000 -232.13935 -222.83930 9.30005 2.69777 -221.52712 832.78605
2620.0000 -231.15626 -220.96580 10.19047 2.70702 -221.33588 862.00184
2625.0000 -231.98924 -221.26663 10.72261 2.77437 -219.94353 872.84470
2630.0000 -230.51807 -218.50404 12.01404 2.82190 -218.96074 901.33459
2635.0000 -229.27157 -219.98105 9.29052 2.81819 -219.03763 888.73777
2640.0000 -231.58391 -221.29355 10.29036 2.72718 -220.91913 836.34741
2645.0000 -230.79276 -221.72897 9.06380 2.73732 -220.70932 842.39430
2650.0000 -231.55708 -221.62013 9.93696 2.68987 -221.69046 826.49987
2655.0000 -230.53125 -219.18741 11.34384 2.79728 -219.46987 878.99098
2660.0000 -231.35449 -221.36646 9.98802 2.81272 -219.15058 906.27888
2665.0000 -230.91870 -219.15199 11.76671 2.72418 -220.98109 862.68875
2670.0000 -230.33142 -220.58378 9.74764 2.77974 -219.83234 860.31862
2675.0000 -231.70648 -220.60942 11.09705 2.77364 -219.95858 891.67543
2680.0000 -230.87447 -219.86340 11.01107 2.73701 -220.71579 870.25968
2685.0000 -231.62342 -221.18503 10.43838 2.76714 -220.09300 849.45048
2690.0000 -231.67115 -221.43676 10.23439 2.73167 -220.82613 860.88195
2695.0000 -231.96918 -221.84826 10.12092 2.66082 -222.29097 790.57573
2700.0000 -231.63116 -219.10621 12.52496 2.78319 -219.76104 876.81447
2705.0000 -229.16527 -217.85065 11.31462 2.86020 -218.16909 928.35525
2710.0000 -230.08756 -219.98332 10.10424 2.85681 -218.23905 922.49711
2715.0000 -232.32583 -221.76404 10.56179 2.77940 -219.83953 878.23653
2720.0000 -232.17523 -221.32652 10.84870 2.70850 -221.30526 822.18878
2725.0000 -231.13390 -220.40481 10.72908 2.72571 -220.94947 817.35152
2730.0000 -231.19410 -220.89420 10.29990 2.71310 -221.21005 827.98499
2735.0000 -231.37387 -220.48824 10.88563 2.72726 -220.91735 849.91815
2740.0000 -232.46033 -221.69217 10.76816 2.72455 -220.97334 848.90626
2745.0000 -230.94705 -220.24005 10.70700 2.71399 -221.19167 810.05935
2750.0000 -229.90229 -219.64562 10.25667 2.76282 -220.18217 870.47641
FREEZING PROCESS: loop number 12 T-loop= 843.00000000000000
main_MD> interactions number 12 at Temperature= 843.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.64786 -0.45781 0.31193
force_rgl> df(natom) 2.29390 -1.40808 1.58097
2755.0000 -230.80325 -219.64865 11.15461 2.78825 -219.65652 872.59358
2760.0000 -231.24906 -219.96565 11.28341 2.81027 -219.20133 897.01092
2765.0000 -230.41130 -218.93767 11.47362 2.77125 -220.00801 870.39488
2770.0000 -229.59589 -219.48182 10.11407 2.81000 -219.20696 898.49109
2775.0000 -230.31978 -220.06725 10.25253 2.77546 -219.92098 872.17479
2780.0000 -231.60429 -220.72482 10.87947 2.75188 -220.40840 869.53425
2785.0000 -229.92631 -219.49649 10.42982 2.73082 -220.84382 850.70412
2790.0000 -231.13661 -219.90803 11.22858 2.79544 -219.50778 894.70392
2795.0000 -231.26319 -220.85150 10.41169 2.73346 -220.78914 838.93646
2800.0000 -231.79830 -222.19449 9.60381 2.68347 -221.82277 811.17246
2805.0000 -229.92341 -220.67921 9.24419 2.68399 -221.81193 840.09699
2810.0000 -229.83650 -219.92306 9.91344 2.72107 -221.04541 814.62514
2815.0000 -229.89045 -219.04389 10.84657 2.81490 -219.10560 880.50373
2820.0000 -227.76959 -217.09488 10.67471 2.86096 -218.15339 897.95507
2825.0000 -228.52832 -217.38918 11.13913 2.91507 -217.03458 929.09373
2830.0000 -229.31405 -217.65279 11.66125 2.90108 -217.32384 917.39420
2835.0000 -228.90095 -217.91163 10.98931 2.91213 -217.09541 951.85456
2840.0000 -230.27873 -220.55780 9.72092 2.80463 -219.31785 877.33547
2845.0000 -231.94379 -221.48828 10.45551 2.73864 -220.68203 833.97691
2850.0000 -230.72438 -220.89357 9.83081 2.71679 -221.13383 803.70364
2855.0000 -229.42071 -219.09011 10.33061 2.72730 -220.91654 836.78840
2860.0000 -231.84184 -221.57472 10.26711 2.79952 -219.42344 874.86397
2865.0000 -232.39009 -222.80854 9.58155 2.67998 -221.89488 794.45139
2870.0000 -231.55677 -221.74251 9.81426 2.67219 -222.05599 798.13466
2875.0000 -231.85109 -221.01726 10.83383 2.66202 -222.26608 802.14956
2880.0000 -232.33128 -221.51765 10.81363 2.72122 -221.04236 837.31988
2885.0000 -229.87997 -219.62539 10.25458 2.72789 -220.90435 847.76493
2890.0000 -231.54087 -221.02404 10.51683 2.73178 -220.82385 826.20057
2895.0000 -230.28770 -220.74439 9.54330 2.72787 -220.90471 812.41161
2900.0000 -231.92886 -220.84714 11.08172 2.70155 -221.44899 835.36317
2905.0000 -230.56585 -220.72815 9.83770 2.75849 -220.27178 878.08066
2910.0000 -230.08684 -220.61340 9.47344 2.73218 -220.81560 849.07356
2915.0000 -232.31288 -223.34784 8.96504 2.70670 -221.34249 805.45942
2920.0000 -232.89614 -223.10788 9.78826 2.61374 -223.26424 779.18693
2925.0000 -231.04035 -220.71095 10.32940 2.69023 -221.68290 811.35675
2930.0000 -231.81456 -223.97623 7.83833 2.67164 -222.06733 797.81540
2935.0000 -231.97607 -222.63646 9.33960 2.63563 -222.81175 787.55858
2940.0000 -231.52699 -220.77110 10.75588 2.67588 -221.97963 830.97736
2945.0000 -231.35801 -221.20663 10.15138 2.67816 -221.93248 811.84384
2950.0000 -231.23884 -221.35580 9.88304 2.69493 -221.58570 818.00466
2955.0000 -231.82587 -222.33617 9.48970 2.66033 -222.30099 794.61266
2960.0000 -232.92374 -221.17896 11.74478 2.67624 -221.97223 808.26196
2965.0000 -230.90481 -220.39506 10.50974 2.78031 -219.82056 872.44546
2970.0000 -230.30524 -219.99765 10.30758 2.81476 -219.10842 899.42563
2975.0000 -231.91793 -222.16146 9.75647 2.67725 -221.95126 805.87457
2980.0000 -231.72810 -222.00444 9.72366 2.69803 -221.52167 844.45699
2985.0000 -232.09200 -221.71788 10.37412 2.62949 -222.93870 777.29214
2990.0000 -231.71280 -222.21565 9.49715 2.66777 -222.14718 810.87694
2995.0000 -232.75428 -222.23912 10.51516 2.69371 -221.61107 800.65066
3000.0000 -232.73750 -222.44079 10.29671 2.65573 -222.39618 804.95067
FREEZING PROCESS: loop number 13 T-loop= 818.00000000000000
main_MD> interactions number 13 at Temperature= 818.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00313 -1.98652 -0.05872
force_rgl> df(natom) 4.04815 -0.21155 1.34704
3005.0000 -231.54609 -220.58433 10.96175 2.67009 -222.09934 807.78971
3010.0000 -233.27038 -223.87411 9.39628 2.66746 -222.15364 815.25446
3015.0000 -234.28381 -223.82356 10.46026 2.55837 -224.40893 749.65784
3020.0000 -231.45676 -222.45915 8.99761 2.63868 -222.74875 796.99818
3025.0000 -231.54550 -222.02491 9.52059 2.69089 -221.66930 815.91462
3030.0000 -232.51429 -222.11037 10.40392 2.67247 -222.05001 812.21296
3035.0000 -231.55426 -222.69663 8.85763 2.67070 -222.08671 802.89146
3040.0000 -229.62314 -219.45060 10.17253 2.75835 -220.27456 837.85818
3045.0000 -231.22465 -219.34515 11.87951 2.77655 -219.89842 852.23908
3050.0000 -231.20999 -220.95429 10.25570 2.75176 -220.41089 853.39849
3055.0000 -229.41641 -219.84594 9.57048 2.76019 -220.23663 835.65470
3060.0000 -230.69355 -220.44304 10.25051 2.77983 -219.83055 867.04208
3065.0000 -232.29630 -222.62276 9.67354 2.72275 -221.01062 837.73665
3070.0000 -232.75598 -222.96223 9.79375 2.66092 -222.28895 802.40457
3075.0000 -232.64429 -222.54111 10.10318 2.65744 -222.36090 787.68466
3080.0000 -232.22670 -222.98444 9.24227 2.64617 -222.59379 775.58542
3085.0000 -230.53327 -220.75469 9.77858 2.68072 -221.87965 801.39586
3090.0000 -232.52014 -223.10994 9.41020 2.73164 -220.82684 845.45676
3095.0000 -232.64020 -222.74343 9.89677 2.59923 -223.56425 757.51193
3100.0000 -232.05852 -222.40180 9.65672 2.65990 -222.31001 808.40634
3105.0000 -233.85868 -224.25130 9.60738 2.60610 -223.42227 767.80865
3110.0000 -230.78078 -221.15844 9.62234 2.68797 -221.72966 810.21800
3115.0000 -231.46271 -221.50153 9.96118 2.72271 -221.01150 830.83109
3120.0000 -230.18111 -220.40943 9.77167 2.72125 -221.04163 838.16077
3125.0000 -232.70686 -220.49919 12.20767 2.74120 -220.62921 862.98469
3130.0000 -231.23963 -221.13673 10.10290 2.69548 -221.57437 834.67588
3135.0000 -232.13817 -222.06169 10.07648 2.68697 -221.75042 824.00485
3140.0000 -233.26469 -224.47608 8.78861 2.60051 -223.53777 771.26579
3145.0000 -232.51851 -222.31369 10.20481 2.54656 -224.65305 741.19685
3150.0000 -229.54422 -220.61113 8.93310 2.68520 -221.78700 803.19395
3155.0000 -231.76317 -220.23758 11.52559 2.73217 -220.81598 833.61946
3160.0000 -229.01429 -219.46484 9.54944 2.78337 -219.75731 893.80061
3165.0000 -231.20828 -220.65230 10.55598 2.75706 -220.30126 869.85757
3170.0000 -230.81525 -221.11389 9.70136 2.76215 -220.19614 860.00147
3175.0000 -231.06045 -219.89174 11.16871 2.75351 -220.37462 872.76050
3180.0000 -230.93602 -222.12611 8.80991 2.73303 -220.79814 843.81962
3185.0000 -229.87357 -220.24484 9.62873 2.67810 -221.93374 821.29463
3190.0000 -231.33570 -219.81867 11.51703 2.78846 -219.65226 895.32579
3195.0000 -231.35170 -222.24036 9.11134 2.69120 -221.66289 843.44275
3200.0000 -231.27511 -220.93804 10.33707 2.71358 -221.20021 835.28454
3205.0000 -231.17841 -220.61370 10.56471 2.72482 -220.96784 818.74572
3210.0000 -232.11460 -222.18867 9.92593 2.70571 -221.36283 848.37431
3215.0000 -232.03179 -222.50046 9.53134 2.65636 -222.38322 796.92997
3220.0000 -233.01567 -223.50474 9.51093 2.59510 -223.64969 766.59668
3225.0000 -233.67759 -224.07878 9.59881 2.57766 -224.01027 750.43969
3230.0000 -232.11287 -220.82419 11.28868 2.66139 -222.27910 804.38803
3235.0000 -231.85662 -223.13838 8.71824 2.69325 -221.62044 826.73691
3240.0000 -229.92471 -219.60898 10.31573 2.66582 -222.18761 806.20177
3245.0000 -231.60787 -222.06482 9.54305 2.72850 -220.89172 809.18070
3250.0000 -231.85887 -222.45761 9.40126 2.66025 -222.30269 776.35553
FREEZING PROCESS: loop number 14 T-loop= 793.00000000000000
main_MD> interactions number 14 at Temperature= 793.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.45412 -5.55983 -1.00719
force_rgl> df(natom) 0.84805 1.26568 -3.17553
3255.0000 -231.60684 -221.90877 9.69808 2.73684 -220.71925 839.16687
3260.0000 -232.41420 -222.71751 9.69669 2.68197 -221.85380 830.06038
3265.0000 -232.39571 -222.60578 9.78993 2.62145 -223.10493 788.18095
3270.0000 -231.48530 -221.82782 9.65748 2.63575 -222.80930 800.07433
3275.0000 -231.39345 -223.75101 7.64244 2.65428 -222.42616 767.97620
3280.0000 -231.51719 -220.79157 10.72562 2.66783 -222.14611 786.38413
3285.0000 -232.07753 -222.67030 9.40723 2.68668 -221.75624 797.55065
3290.0000 -230.69439 -222.07448 8.61991 2.63692 -222.78500 785.82099
3295.0000 -234.43635 -225.21104 9.22531 2.58580 -223.84181 750.72509
3300.0000 -233.04662 -224.95327 8.09335 2.51264 -225.35443 738.60795
3305.0000 -234.13977 -225.17105 8.96873 2.51693 -225.26563 722.56900
3310.0000 -232.92644 -225.24139 7.68505 2.54384 -224.70932 725.65748
3315.0000 -232.87530 -223.62252 9.25278 2.54720 -224.63998 723.51819
3320.0000 -234.06387 -225.56043 8.50344 2.55017 -224.57851 748.08817
3325.0000 -232.66773 -224.48258 8.18515 2.54009 -224.78683 734.49535
3330.0000 -230.63360 -219.93732 10.69628 2.60610 -223.42233 782.27659
3335.0000 -232.14991 -222.61613 9.53378 2.73777 -220.70009 865.71620
3340.0000 -233.14791 -224.02213 9.12578 2.62958 -222.93680 781.34586
3345.0000 -233.82188 -222.70546 11.11642 2.61739 -223.18882 783.17416
3350.0000 -230.92563 -222.21946 8.70618 2.65217 -222.46975 800.56100
3355.0000 -231.98082 -222.05574 9.92508 2.65478 -222.41586 789.65161
3360.0000 -231.81952 -222.15481 9.66471 2.66449 -222.21502 828.08261
3365.0000 -232.00178 -222.21553 9.78625 2.68314 -221.82959 812.01386
3370.0000 -231.13558 -221.66522 9.47036 2.66638 -222.17604 796.94727
3375.0000 -231.98565 -222.89482 9.09083 2.67690 -221.95852 814.60797
3380.0000 -232.98096 -223.76190 9.21906 2.62425 -223.04709 764.38651
3385.0000 -233.88080 -224.47957 9.40123 2.57385 -224.08898 754.49226
3390.0000 -232.55416 -223.22212 9.33204 2.59166 -223.72074 765.99418
3395.0000 -232.02050 -222.84147 9.17903 2.59207 -223.71231 775.48849
3400.0000 -233.04964 -223.84141 9.20823 2.62852 -222.95879 783.97126
3405.0000 -232.85852 -224.59974 8.25879 2.56138 -224.34683 741.40187
3410.0000 -235.41237 -225.14731 10.26506 2.52964 -225.00295 736.81296
3415.0000 -232.20021 -221.61674 10.58347 2.57133 -224.14097 756.58189
3420.0000 -232.21407 -222.46885 9.74522 2.67063 -222.08822 802.80795
3425.0000 -232.83683 -222.79741 10.03943 2.63636 -222.79670 792.24698
3430.0000 -233.05010 -221.95907 11.09103 2.65350 -222.44235 789.28932
3435.0000 -232.58413 -222.91235 9.67178 2.64936 -222.52788 763.18255
3440.0000 -233.74041 -223.52842 10.21199 2.63083 -222.91096 781.75948
3445.0000 -231.25831 -222.12828 9.13003 2.60416 -223.46225 759.96964
3450.0000 -233.39679 -223.14952 10.24728 2.64790 -222.55806 800.65809
3455.0000 -232.80216 -224.58573 8.21643 2.59839 -223.58170 770.44931
3460.0000 -234.97884 -224.11075 10.86809 2.53914 -224.80646 749.37745
3465.0000 -235.06601 -226.02522 9.04079 2.54216 -224.74412 741.52400
3470.0000 -233.00605 -224.17228 8.83377 2.56156 -224.34300 747.07436
3475.0000 -233.72727 -224.86183 8.86543 2.57219 -224.12332 747.09131
3480.0000 -231.62770 -222.06348 9.56422 2.61148 -223.31109 754.39433
3485.0000 -233.03923 -224.76121 8.27802 2.61625 -223.21235 776.70064
3490.0000 -232.09549 -222.37968 9.71582 2.58606 -223.83653 751.74167
3495.0000 -232.98559 -223.85173 9.13386 2.65865 -222.33573 786.04914
3500.0000 -231.43874 -222.57213 8.86661 2.63677 -222.78826 787.28839
FREEZING PROCESS: loop number 15 T-loop= 768.00000000000000
main_MD> interactions number 15 at Temperature= 768.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31539 0.11408 -0.67884
force_rgl> df(natom) 2.45449 2.19555 0.53092
3505.0000 -233.15295 -223.47013 9.68283 2.67125 -222.07534 806.59765
3510.0000 -232.32714 -224.13963 8.18751 2.59204 -223.71294 755.15020
3515.0000 -233.52784 -223.60165 9.92618 2.58625 -223.83263 726.38506
3520.0000 -231.73542 -221.70720 10.02822 2.66488 -222.20705 796.02191
3525.0000 -232.07742 -224.12004 7.95738 2.61951 -223.14489 767.36784
3530.0000 -234.16020 -224.93514 9.22506 2.55259 -224.52842 732.96930
3535.0000 -234.87876 -226.03590 8.84286 2.51433 -225.31948 721.77512
3540.0000 -235.15524 -226.17939 8.97585 2.47908 -226.04821 705.05377
3545.0000 -233.57253 -224.86740 8.70513 2.53457 -224.90100 747.25601
3550.0000 -233.27182 -224.94704 8.32478 2.53784 -224.83336 735.70293
3555.0000 -232.78380 -223.81768 8.96612 2.54669 -224.65050 753.17008
3560.0000 -232.00388 -223.66360 8.34028 2.58453 -223.86824 761.55903
3565.0000 -232.86202 -222.83531 10.02670 2.62321 -223.06855 785.19143
3570.0000 -232.33077 -222.89525 9.43553 2.61861 -223.16356 796.49360
3575.0000 -231.57318 -221.93985 9.63333 2.65803 -222.34868 806.19350
3580.0000 -231.94030 -222.61872 9.32158 2.64872 -222.54116 794.26023
3585.0000 -232.41636 -222.69605 9.72031 2.63224 -222.88190 784.02788
3590.0000 -233.42056 -222.94670 10.47386 2.64488 -222.62045 820.80242
3595.0000 -231.17363 -223.44403 7.72960 2.60709 -223.40168 779.91542
3600.0000 -232.14322 -223.11732 9.02590 2.59701 -223.61009 750.67049
3605.0000 -232.97602 -222.78199 10.19402 2.62141 -223.10563 801.28026
3610.0000 -231.67403 -223.00940 8.66463 2.65126 -222.48861 814.51170
3615.0000 -232.51799 -223.36278 9.15521 2.65044 -222.50550 798.13305
3620.0000 -233.36072 -223.20222 10.15849 2.62730 -222.98399 766.79099
3625.0000 -232.09461 -222.04142 10.05319 2.63309 -222.86426 781.89987
3630.0000 -234.69464 -224.63161 10.06303 2.61297 -223.28023 786.63493
3635.0000 -233.31280 -223.13141 10.18139 2.62413 -223.04941 789.14111
3640.0000 -233.42590 -222.53535 10.89056 2.61567 -223.22447 796.25658
3645.0000 -231.05619 -221.80915 9.24704 2.61568 -223.22426 782.23665
3650.0000 -231.67872 -222.17319 9.50553 2.71208 -221.23120 828.52272
3655.0000 -232.29342 -220.78534 11.50809 2.65546 -222.40173 792.75049
3660.0000 -232.40473 -223.74572 8.65901 2.66323 -222.24123 816.84111
3665.0000 -233.00860 -224.56077 8.44783 2.56065 -224.36188 766.51640
3670.0000 -231.54033 -222.34457 9.19577 2.62080 -223.11825 771.84391
3675.0000 -232.84439 -222.47289 10.37149 2.64992 -222.51627 819.26551
3680.0000 -231.94043 -221.73247 10.20796 2.62192 -223.09520 798.59525
3685.0000 -230.54370 -221.78802 8.75568 2.69413 -221.60225 804.20189
3690.0000 -232.48229 -222.31661 10.16569 2.65216 -222.46998 784.28862
3695.0000 -232.05207 -223.14643 8.90564 2.65618 -222.38687 800.01808
3700.0000 -232.92212 -221.91458 11.00754 2.66150 -222.27698 795.32673
3705.0000 -233.10166 -222.68503 10.41663 2.69357 -221.61380 835.83055
3710.0000 -231.19514 -223.24084 7.95430 2.61481 -223.24213 779.48131
3715.0000 -232.73915 -223.31422 9.42493 2.59561 -223.63911 754.97324
3720.0000 -232.35964 -223.35920 9.00044 2.58151 -223.93060 736.51184
3725.0000 -231.37978 -223.18710 8.19268 2.58428 -223.87332 738.88468
3730.0000 -232.89657 -222.51250 10.38407 2.61131 -223.31460 772.87375
3735.0000 -233.08785 -223.12711 9.96073 2.61506 -223.23703 759.36727
3740.0000 -230.94027 -221.59376 9.34652 2.66699 -222.16330 793.09558
3745.0000 -229.58251 -220.27500 9.30752 2.74794 -220.48986 826.99428
3750.0000 -232.43793 -223.35771 9.08021 2.66718 -222.15942 786.24390
FREEZING PROCESS: loop number 16 T-loop= 743.00000000000000
main_MD> interactions number 16 at Temperature= 743.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.80455 4.49107 0.46934
force_rgl> df(natom) 1.19608 -0.89167 2.15996
3755.0000 -231.49260 -223.53229 7.96031 2.60911 -223.36004 759.67078
3760.0000 -233.40503 -224.65919 8.74585 2.59021 -223.75075 749.39824
3765.0000 -234.02202 -224.19544 9.82658 2.55360 -224.50769 737.17194
3770.0000 -235.49069 -226.63954 8.85115 2.52069 -225.18787 730.28587
3775.0000 -233.37247 -223.96546 9.40702 2.52080 -225.18571 721.39082
3780.0000 -234.44750 -225.88295 8.56454 2.52488 -225.10139 709.51339
3785.0000 -234.17801 -225.64734 8.53067 2.47114 -226.21243 690.31282
3790.0000 -233.81169 -224.44825 9.36345 2.52710 -225.05541 705.20615
3795.0000 -234.70861 -226.59788 8.11072 2.48214 -225.98487 698.12113
3800.0000 -232.48552 -223.63471 8.85082 2.54101 -224.76792 731.12038
3805.0000 -232.96373 -224.42066 8.54306 2.59134 -223.72734 734.41620
3810.0000 -233.55981 -224.70083 8.85898 2.56131 -224.34828 724.96754
3815.0000 -233.63408 -225.65184 7.98224 2.53736 -224.84337 741.05186
3820.0000 -233.15557 -224.57829 8.57728 2.56696 -224.23138 746.57137
3825.0000 -233.21256 -223.66077 9.55179 2.60764 -223.39042 770.15903
3830.0000 -233.54424 -224.28800 9.25625 2.56980 -224.17268 738.41901
3835.0000 -233.29041 -223.61910 9.67131 2.56192 -224.33569 763.22420
3840.0000 -234.63468 -224.12429 10.51039 2.57189 -224.12942 761.31676
3845.0000 -232.78756 -224.35619 8.43137 2.59461 -223.65986 773.70605
3850.0000 -232.70073 -223.72830 8.97243 2.57129 -224.14194 741.53592
3855.0000 -235.81051 -226.61953 9.19098 2.52673 -225.06304 728.92263
3860.0000 -233.12481 -224.15405 8.97076 2.50442 -225.52425 709.36503
3865.0000 -232.35340 -223.15105 9.20235 2.58672 -223.82286 737.18596
3870.0000 -233.03920 -224.30128 8.73792 2.61362 -223.26669 778.79811
3875.0000 -232.61902 -223.19229 9.42673 2.54433 -224.69923 726.95655
3880.0000 -231.78222 -223.29796 8.48426 2.60889 -223.36452 768.46397
3885.0000 -232.79682 -224.67930 8.11752 2.60399 -223.46578 759.58229
3890.0000 -233.35586 -224.52157 8.83429 2.52858 -225.02481 712.10117
3895.0000 -232.21640 -223.57768 8.63872 2.59162 -223.72167 751.95593
3900.0000 -232.94077 -224.66157 8.27920 2.58135 -223.93394 759.33819
3905.0000 -233.70753 -225.62545 8.08208 2.52273 -225.14585 715.99468
3910.0000 -233.72840 -224.10998 9.61842 2.55642 -224.44936 738.98027
3915.0000 -232.31196 -222.71684 9.59512 2.57494 -224.06644 749.67308
3920.0000 -233.44240 -223.19130 10.25110 2.60343 -223.47741 756.62382
3925.0000 -232.02936 -222.91472 9.11464 2.65155 -222.48268 787.39474
3930.0000 -234.03442 -223.67397 10.36046 2.64649 -222.58723 805.87991
3935.0000 -232.28762 -223.18645 9.10117 2.61650 -223.20720 757.88942
3940.0000 -232.62857 -222.33140 10.29717 2.60590 -223.42645 773.46198
3945.0000 -234.44782 -225.13910 9.30872 2.62060 -223.12241 793.42423
3950.0000 -233.05801 -223.96659 9.09142 2.55414 -224.49637 757.94266
3955.0000 -230.22706 -220.79624 9.43083 2.68296 -221.83321 819.73623
3960.0000 -231.58286 -222.91163 8.67123 2.65472 -222.41711 773.12238
3965.0000 -233.63220 -223.48075 10.15145 2.63358 -222.85411 781.24562
3970.0000 -232.75153 -224.18024 8.57130 2.57633 -224.03766 740.33065
3975.0000 -232.37725 -224.35816 8.01908 2.57486 -224.06810 734.52997
3980.0000 -232.85869 -222.70867 10.15002 2.59170 -223.71996 763.67412
3985.0000 -233.15320 -225.83410 7.31911 2.52649 -225.06815 708.20060
3990.0000 -231.80751 -223.08324 8.72427 2.55979 -224.37960 728.04339
3995.0000 -232.13610 -221.68959 10.44651 2.66680 -222.16737 791.71391
4000.0000 -232.80708 -222.22081 10.58627 2.64732 -222.57010 791.58271
FREEZING PROCESS: loop number 17 T-loop= 718.00000000000000
main_MD> interactions number 17 at Temperature= 718.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.79831 3.18002 -1.46335
force_rgl> df(natom) -0.16209 3.90351 0.12549
4005.0000 -232.51248 -223.12545 9.38703 2.66552 -222.19381 800.14493
4010.0000 -234.19270 -224.79541 9.39729 2.55694 -224.43864 739.34836
4015.0000 -235.10805 -225.53806 9.56998 2.53025 -224.99029 716.73452
4020.0000 -233.91199 -224.82922 9.08277 2.51084 -225.39157 719.25358
4025.0000 -234.55111 -225.03802 9.51309 2.53826 -224.82475 730.52479
4030.0000 -233.36195 -224.73166 8.63029 2.53036 -224.98810 714.59589
4035.0000 -234.17456 -225.28136 8.89320 2.54484 -224.68866 719.69861
4040.0000 -234.77275 -226.79255 7.98020 2.48034 -226.02215 685.62550
4045.0000 -233.96526 -225.91160 8.05366 2.53818 -224.82633 717.49051
4050.0000 -233.33232 -224.26427 9.06806 2.50398 -225.53336 709.95092
4055.0000 -235.45664 -226.15137 9.30527 2.52427 -225.11387 714.95946
4060.0000 -233.58955 -225.03829 8.55126 2.50954 -225.41847 729.80705
4065.0000 -234.57042 -225.10154 9.46887 2.51897 -225.22346 710.93291
4070.0000 -233.06491 -224.20591 8.85900 2.52371 -225.12551 731.25760
4075.0000 -232.16764 -223.23816 8.92948 2.60183 -223.51045 775.55581
4080.0000 -233.33893 -224.07045 9.26848 2.61501 -223.23800 771.29586
4085.0000 -233.12105 -223.73301 9.38805 2.59040 -223.74683 764.96023
4090.0000 -235.02738 -225.68916 9.33822 2.52370 -225.12569 725.91683
4095.0000 -234.31215 -225.47522 8.83694 2.49854 -225.64587 715.89625
4100.0000 -234.70364 -227.34529 7.35835 2.46879 -226.26102 708.65710
4105.0000 -235.38589 -227.79691 7.58898 2.41924 -227.28535 659.98978
4110.0000 -235.84334 -227.40889 8.43445 2.40459 -227.58821 644.65311
4115.0000 -235.48741 -227.65082 7.83658 2.38309 -228.03275 656.68101
4120.0000 -233.01146 -225.90742 7.10403 2.46551 -226.32876 680.43752
4125.0000 -234.67922 -226.04853 8.63069 2.50837 -225.44273 742.82339
4130.0000 -235.56432 -227.55056 8.01377 2.42793 -227.10576 642.11379
4135.0000 -234.85105 -226.15227 8.69878 2.42707 -227.12340 642.15387
4140.0000 -234.56561 -225.08021 9.48540 2.47297 -226.17448 685.20799
4145.0000 -234.76823 -225.92941 8.83881 2.50050 -225.60527 719.61358
4150.0000 -232.52842 -224.67570 7.85272 2.51522 -225.30096 720.41069
4155.0000 -232.75043 -223.23886 9.51156 2.54558 -224.67332 727.98201
4160.0000 -233.66638 -224.93107 8.73531 2.55615 -224.45480 733.87640
4165.0000 -233.04251 -224.65259 8.38992 2.55701 -224.43719 718.22172
4170.0000 -234.65869 -225.27848 9.38021 2.51211 -225.36539 711.60507
4175.0000 -234.65258 -226.02604 8.62654 2.48252 -225.97708 694.38907
4180.0000 -235.38316 -227.51535 7.86781 2.46081 -226.42584 681.33950
4185.0000 -235.71622 -227.58084 8.13538 2.42733 -227.11814 660.26231
4190.0000 -235.96863 -228.31627 7.65236 2.39019 -227.88584 636.32712
4195.0000 -233.91196 -225.87480 8.03715 2.42484 -227.16962 663.85080
4200.0000 -233.25446 -225.19505 8.05941 2.51315 -225.34376 706.59977
4205.0000 -235.15867 -226.83110 8.32758 2.46601 -226.31850 687.97989
4210.0000 -235.06906 -227.46160 7.60747 2.41162 -227.44284 651.26730
4215.0000 -234.49922 -225.53162 8.96759 2.49894 -225.63768 714.65201
4220.0000 -234.99367 -226.73916 8.25451 2.48573 -225.91068 677.90516
4225.0000 -234.63781 -227.83842 6.79938 2.44486 -226.75557 665.97861
4230.0000 -233.20635 -224.81033 8.39602 2.48658 -225.89305 673.83458
4235.0000 -232.36880 -224.06354 8.30526 2.57441 -224.07745 753.77665
4240.0000 -233.13711 -223.48818 9.64893 2.56789 -224.21225 736.67304
4245.0000 -232.66517 -224.44979 8.21538 2.57819 -223.99916 747.94332
4250.0000 -234.28480 -225.72653 8.55827 2.54647 -224.65504 716.32776
FREEZING PROCESS: loop number 18 T-loop= 693.00000000000000
main_MD> interactions number 18 at Temperature= 693.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.52768 -5.57781 -1.72616
force_rgl> df(natom) -2.45111 2.19154 1.84585
4255.0000 -235.12930 -227.20040 7.92891 2.48643 -225.89626 704.95414
4260.0000 -234.75322 -225.97631 8.77690 2.45559 -226.53373 675.08265
4265.0000 -233.93189 -226.12409 7.80780 2.49757 -225.66599 716.45412
4270.0000 -233.13239 -224.81404 8.31835 2.47957 -226.03800 686.04767
4275.0000 -234.91695 -226.38566 8.53129 2.48801 -225.86364 711.53000
4280.0000 -235.65499 -227.27265 8.38234 2.44717 -226.70782 685.68822
4285.0000 -235.31200 -228.38335 6.92865 2.37459 -228.20838 633.30185
4290.0000 -235.21654 -227.29778 7.91876 2.37599 -228.17948 629.08796
4295.0000 -234.68612 -225.77441 8.91171 2.46269 -226.38710 693.60326
4300.0000 -235.35242 -227.40477 7.94765 2.49017 -225.81895 685.37043
4305.0000 -234.09266 -224.80815 9.28451 2.46471 -226.34535 681.68364
4310.0000 -231.79013 -224.18820 7.60193 2.56378 -224.29707 729.41266
4315.0000 -233.23355 -223.97084 9.26271 2.59492 -223.65345 752.74215
4320.0000 -233.18130 -224.74779 8.43351 2.59777 -223.59439 762.74666
4325.0000 -232.44353 -223.50753 8.93600 2.57701 -224.02367 728.49730
4330.0000 -233.20259 -225.35933 7.84326 2.58367 -223.88594 736.26423
4335.0000 -234.44948 -225.92075 8.52873 2.50228 -225.56849 691.85811
4340.0000 -234.46219 -225.17888 9.28331 2.49866 -225.64340 690.88480
4345.0000 -232.73862 -223.92929 8.80933 2.54599 -224.66482 737.63300
4350.0000 -235.33188 -226.70768 8.62420 2.49078 -225.80624 716.00033
4355.0000 -233.02206 -224.26845 8.75360 2.51318 -225.34328 702.85607
4360.0000 -234.85337 -225.87963 8.97374 2.49506 -225.71781 702.48658
4365.0000 -234.12867 -226.50774 7.62093 2.46551 -226.32875 680.39029
4370.0000 -235.60307 -227.15412 8.44895 2.45666 -226.51171 687.85713
4375.0000 -235.77831 -226.54072 9.23759 2.43515 -226.95645 684.02772
4380.0000 -234.85363 -224.88478 9.96886 2.49124 -225.79688 713.91736
4385.0000 -232.62820 -223.80918 8.81902 2.55311 -224.51776 737.17335
4390.0000 -233.84802 -224.77779 9.07023 2.56824 -224.20490 737.75081
4395.0000 -234.21705 -226.40915 7.80789 2.49925 -225.63125 699.15792
4400.0000 -233.98095 -224.40654 9.57442 2.48319 -225.96333 682.46201
4405.0000 -233.99335 -225.20806 8.78529 2.51506 -225.30431 713.89818
4410.0000 -232.97957 -224.26260 8.71697 2.53881 -224.81337 729.48988
4415.0000 -233.58519 -224.86430 8.72089 2.56823 -224.20519 728.46032
4420.0000 -234.13889 -226.09823 8.04065 2.51475 -225.31081 714.97420
4425.0000 -233.88071 -225.24454 8.63617 2.50133 -225.58821 697.78055
4430.0000 -234.47385 -225.60211 8.87174 2.54799 -224.62364 735.14975
4435.0000 -233.28720 -225.39598 7.89123 2.50083 -225.59863 696.60378
4440.0000 -234.32178 -225.96491 8.35688 2.44768 -226.69730 674.74199
4445.0000 -235.02119 -227.69521 7.32598 2.46570 -226.32482 703.32742
4450.0000 -234.53410 -227.03176 7.50235 2.42909 -227.08177 669.26813
4455.0000 -233.89804 -226.36326 7.53477 2.46765 -226.28447 680.26382
4460.0000 -234.53825 -227.13608 7.40217 2.41629 -227.34635 647.70268
4465.0000 -234.91843 -227.60925 7.30918 2.37885 -228.12035 617.16786
4470.0000 -234.19897 -225.81610 8.38287 2.43715 -226.91501 662.32729
4475.0000 -234.59189 -226.47915 8.11275 2.44728 -226.70557 672.77783
4480.0000 -235.27166 -227.28500 7.98666 2.39358 -227.81586 648.77911
4485.0000 -235.83099 -228.36574 7.46525 2.38336 -228.02707 643.48351
4490.0000 -235.65152 -227.94516 7.70636 2.42180 -227.23242 664.28804
4495.0000 -234.88122 -225.58053 9.30069 2.43461 -226.96749 659.25996
4500.0000 -235.52676 -227.74699 7.77977 2.44541 -226.74423 681.15386
FREEZING PROCESS: loop number 19 T-loop= 668.00000000000000
main_MD> interactions number 19 at Temperature= 668.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.68638 -0.48583 0.95304
force_rgl> df(natom) -2.27061 -2.27441 -3.66222
4505.0000 -236.17306 -227.77104 8.40203 2.40575 -227.56415 636.91426
4510.0000 -235.75267 -229.12748 6.62519 2.36889 -228.32625 626.68096
4515.0000 -234.70054 -225.80970 8.89084 2.42283 -227.21103 637.83680
4520.0000 -235.15170 -226.15183 8.99987 2.53343 -224.92458 733.47808
4525.0000 -235.25250 -226.39431 8.85819 2.44274 -226.79948 677.60039
4530.0000 -234.71511 -225.47196 9.24316 2.47906 -226.04866 695.17877
4535.0000 -234.87168 -226.39049 8.48120 2.50114 -225.59211 719.64454
4540.0000 -234.69442 -226.52798 8.16645 2.42518 -227.16244 648.07332
4545.0000 -235.40943 -227.07746 8.33197 2.42876 -227.08846 666.57000
4550.0000 -234.37292 -226.28831 8.08461 2.41969 -227.27608 648.08818
4555.0000 -235.27104 -227.57564 7.69540 2.41156 -227.44408 651.50307
4560.0000 -234.31190 -225.16099 9.15091 2.47330 -226.16765 692.12877
4565.0000 -233.79365 -225.75122 8.04243 2.47417 -226.14965 693.70628
4570.0000 -236.88978 -227.73846 9.15132 2.43028 -227.05698 684.28338
4575.0000 -234.28849 -227.24103 7.04747 2.40447 -227.59062 657.11339
4580.0000 -235.13760 -227.72773 7.40988 2.40696 -227.53912 640.97132
4585.0000 -235.52108 -226.69847 8.82261 2.42319 -227.20369 670.82630
4590.0000 -234.02274 -226.84463 7.17811 2.47236 -226.18716 708.29834
4595.0000 -235.04735 -225.98813 9.05922 2.46581 -226.32253 670.51674
4600.0000 -235.49542 -227.99343 7.50198 2.46459 -226.34774 683.19396
4605.0000 -235.92995 -227.44401 8.48594 2.40728 -227.53260 648.17205
4610.0000 -233.79991 -225.39075 8.40915 2.45248 -226.59805 669.29176
4615.0000 -233.19245 -225.16924 8.02321 2.50743 -225.46201 713.91919
4620.0000 -234.35716 -228.30334 6.05382 2.45285 -226.59051 678.14551
4625.0000 -235.38500 -226.84811 8.53689 2.44734 -226.70443 662.70214
4630.0000 -234.38015 -227.15346 7.22669 2.43608 -226.93722 652.81044
4635.0000 -235.00412 -226.59131 8.41281 2.39603 -227.76516 627.87351
4640.0000 -233.74000 -225.84514 7.89486 2.43908 -226.87524 668.60471
4645.0000 -234.20681 -224.90427 9.30254 2.50066 -225.60209 712.30301
4650.0000 -234.55444 -226.84954 7.70490 2.49949 -225.62620 691.60657
4655.0000 -235.48270 -226.35247 9.13023 2.43057 -227.05103 680.04999
4660.0000 -234.57651 -226.28336 8.29316 2.46232 -226.39464 683.96398
4665.0000 -234.69144 -225.83904 8.85240 2.49048 -225.81258 705.08247
4670.0000 -232.35296 -223.53174 8.82123 2.53163 -224.96179 737.44448
4675.0000 -234.00487 -225.35137 8.65350 2.56674 -224.23604 752.30902
4680.0000 -235.59543 -227.49465 8.10078 2.45520 -226.54190 673.00606
4685.0000 -235.63516 -226.98589 8.64927 2.43116 -227.03880 663.51535
4690.0000 -234.83132 -227.90359 6.92773 2.42915 -227.08037 654.07820
4695.0000 -234.41205 -226.24788 8.16417 2.45137 -226.62116 652.30952
4700.0000 -233.95048 -226.12567 7.82481 2.46277 -226.38531 664.37275
4705.0000 -234.65455 -226.89003 7.76452 2.47556 -226.12101 694.12181
4710.0000 -235.04965 -226.24998 8.79967 2.45208 -226.60643 683.61987
4715.0000 -234.79117 -227.47028 7.32089 2.43203 -227.02091 666.73150
4720.0000 -234.60724 -226.89331 7.71394 2.41230 -227.42871 643.03328
4725.0000 -234.18121 -225.30450 8.87671 2.47117 -226.21166 688.34609
4730.0000 -234.60788 -225.74412 8.86376 2.49301 -225.76012 709.61156
4735.0000 -234.75045 -225.97862 8.77183 2.46901 -226.25632 684.33409
4740.0000 -235.87895 -229.34189 6.53707 2.42190 -227.23042 658.12663
4745.0000 -235.84482 -228.38655 7.45827 2.35049 -228.70672 596.38770
4750.0000 -235.85041 -227.30243 8.54797 2.43160 -227.02971 670.83378
FREEZING PROCESS: loop number 20 T-loop= 643.00000000000000
main_MD> interactions number 20 at Temperature= 643.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00156 0.99722 2.31607
force_rgl> df(natom) 0.67574 2.25293 1.46265
4755.0000 -236.51152 -229.21821 7.29330 2.38851 -227.92061 635.99817
4760.0000 -236.16977 -228.53877 7.63100 2.37512 -228.19742 629.27394
4765.0000 -236.10891 -229.08460 7.02431 2.35682 -228.57569 623.27628
4770.0000 -235.34533 -227.63013 7.71519 2.37849 -228.12783 606.86648
4775.0000 -234.31052 -226.50342 7.80710 2.42200 -227.22817 646.50989
4780.0000 -235.60164 -226.56013 9.04151 2.43589 -226.94103 659.64644
4785.0000 -234.64873 -225.79724 8.85149 2.46515 -226.33622 711.89771
4790.0000 -233.59855 -226.13318 7.46537 2.45605 -226.52440 673.64698
4795.0000 -235.72686 -228.50930 7.21756 2.41143 -227.44679 643.50680
4800.0000 -237.29330 -229.47494 7.81836 2.32392 -229.25585 606.56495
4805.0000 -235.99471 -229.10654 6.88817 2.34050 -228.91316 614.56109
4810.0000 -235.82979 -227.74824 8.08155 2.34051 -228.91287 603.51937
4815.0000 -234.91357 -228.03244 6.88113 2.41134 -227.44855 663.52726
4820.0000 -236.63499 -229.83931 6.79568 2.38588 -227.97509 636.13190
4825.0000 -236.08636 -229.52834 6.55802 2.34476 -228.82502 608.58515
4830.0000 -236.80460 -228.69505 8.10955 2.32729 -229.18620 611.71105
4835.0000 -235.68120 -227.75195 7.92926 2.37926 -228.11191 629.89802
4840.0000 -234.93786 -226.20263 8.73523 2.41690 -227.33362 662.79410
4845.0000 -235.65258 -227.82662 7.82596 2.41536 -227.36547 654.59615
4850.0000 -236.46273 -229.11098 7.35176 2.33592 -229.00777 608.76540
4855.0000 -238.00036 -229.29559 8.70478 2.34745 -228.76943 634.98368
4860.0000 -234.84672 -227.69572 7.15100 2.39159 -227.85691 659.93750
4865.0000 -235.03025 -226.36028 8.66997 2.45210 -226.60593 665.46626
4870.0000 -236.13581 -227.79925 8.33656 2.43253 -227.01053 671.09244
4875.0000 -235.16579 -225.84630 9.31949 2.44344 -226.78504 669.99636
4880.0000 -235.79068 -227.43057 8.36011 2.41566 -227.35931 653.12663
4885.0000 -236.45555 -228.63846 7.81709 2.40915 -227.49384 652.39148
4890.0000 -237.52563 -230.68336 6.84227 2.32178 -229.30012 619.30167
4895.0000 -236.84470 -229.35749 7.48721 2.27867 -230.19148 598.28514
4900.0000 -235.43159 -227.91951 7.51208 2.37597 -228.17995 625.87876
4905.0000 -235.19689 -227.32788 7.86900 2.41757 -227.31988 651.39127
4910.0000 -234.87380 -226.60865 8.26514 2.43885 -226.87989 655.25627
4915.0000 -235.76365 -227.64229 8.12137 2.38522 -227.98864 633.72164
4920.0000 -235.92263 -228.49052 7.43211 2.38559 -227.98103 633.30287
4925.0000 -234.64785 -226.92143 7.72642 2.39837 -227.71675 632.01481
4930.0000 -234.09558 -226.02058 8.07499 2.45821 -226.47964 659.66064
4935.0000 -236.58215 -227.51459 9.06756 2.44498 -226.75320 681.88351
4940.0000 -235.55504 -227.28141 8.27363 2.42632 -227.13893 681.81084
4945.0000 -233.83521 -225.02899 8.80622 2.48567 -225.91187 699.50584
4950.0000 -234.66922 -227.65413 7.01509 2.47361 -226.16122 682.35877
4955.0000 -234.99017 -226.50029 8.48988 2.41484 -227.37628 653.33066
4960.0000 -236.29068 -227.60428 8.68640 2.41384 -227.39698 650.43875
4965.0000 -233.36923 -224.84802 8.52121 2.43624 -226.93390 655.83587
4970.0000 -232.66288 -224.65545 8.00743 2.52920 -225.01204 704.60020
4975.0000 -236.43124 -227.45301 8.97822 2.48005 -226.02810 690.70221
4980.0000 -235.16609 -227.69800 7.46809 2.35371 -228.64013 632.64105
4985.0000 -235.84622 -227.94785 7.89837 2.40929 -227.49109 667.65318
4990.0000 -236.20714 -227.38217 8.82497 2.36726 -228.35984 646.22056
4995.0000 -236.34909 -229.06222 7.28688 2.39304 -227.82691 668.87132
5000.0000 -236.99273 -228.98076 8.01198 2.35325 -228.64968 618.94258
FREEZING PROCESS: loop number 21 T-loop= 618.00000000000000
main_MD> interactions number 21 at Temperature= 618.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.24841 1.92622 -0.39395
force_rgl> df(natom) -0.64093 2.95316 -0.64177
5005.0000 -236.64001 -229.13737 7.50264 2.37949 -228.10714 659.98077
5010.0000 -237.60976 -229.38291 8.22685 2.29519 -229.84983 581.46980
5015.0000 -237.36754 -230.09866 7.26889 2.32743 -229.18329 583.10445
5020.0000 -237.08289 -229.36206 7.72084 2.32000 -229.33702 612.94083
5025.0000 -234.78783 -227.07688 7.71094 2.40647 -227.54932 661.21432
5030.0000 -236.10838 -228.71889 7.38949 2.38083 -228.07940 619.66481
5035.0000 -236.37374 -228.62394 7.74981 2.35595 -228.59372 612.87950
5040.0000 -235.93567 -227.41009 8.52558 2.34360 -228.84904 599.67532
5045.0000 -235.81480 -228.17549 7.63932 2.39263 -227.83541 639.04382
5050.0000 -236.48049 -228.79739 7.68311 2.34611 -228.79714 607.20925
5055.0000 -236.38524 -228.70606 7.67918 2.33023 -229.12545 603.52893
5060.0000 -236.47502 -228.80685 7.66818 2.34594 -228.80074 608.17333
5065.0000 -236.28432 -229.83057 6.45375 2.30548 -229.63718 594.15863
5070.0000 -236.73481 -229.54753 7.18728 2.29356 -229.88351 584.22587
5075.0000 -237.06320 -228.99799 8.06520 2.34893 -228.73893 630.23563
5080.0000 -236.36856 -228.43845 7.93011 2.34370 -228.84700 608.89809
5085.0000 -236.09682 -227.16582 8.93100 2.36257 -228.45685 624.25260
5090.0000 -235.79474 -227.41017 8.38457 2.37396 -228.22134 634.24094
5095.0000 -235.05162 -226.43264 8.61898 2.42615 -227.14238 662.85753
5100.0000 -236.55750 -228.81558 7.74192 2.40586 -227.56198 654.42578
5105.0000 -235.45243 -228.49038 6.96205 2.40371 -227.60634 651.39495
5110.0000 -234.15918 -228.09581 6.06337 2.40595 -227.55999 655.46955
5115.0000 -235.62751 -228.13406 7.49345 2.38133 -228.06895 634.00727
5120.0000 -234.99402 -228.06342 6.93060 2.33351 -229.05764 609.21856
5125.0000 -235.95642 -228.31470 7.64172 2.40835 -227.51044 665.72230
5130.0000 -235.59256 -228.04228 7.55028 2.39540 -227.77816 649.59725
5135.0000 -236.32686 -229.40846 6.91840 2.32468 -229.24033 600.76674
5140.0000 -236.17491 -228.77609 7.39882 2.31740 -229.39073 599.59369
5145.0000 -237.84998 -230.18985 7.66013 2.30201 -229.70895 603.65011
5150.0000 -236.37172 -228.92297 7.44875 2.30820 -229.58096 594.54001
5155.0000 -236.75672 -229.59410 7.16263 2.34457 -228.82905 604.56724
5160.0000 -235.18994 -227.18566 8.00428 2.38714 -227.94902 637.18295
5165.0000 -234.51567 -227.05517 7.46050 2.42610 -227.14339 650.83300
5170.0000 -236.21117 -228.79542 7.41575 2.43529 -226.95351 663.22866
5175.0000 -235.27331 -227.15667 8.11664 2.38942 -227.90171 636.19420
5180.0000 -234.37989 -228.13974 6.24015 2.39097 -227.86971 634.62585
5185.0000 -236.59683 -229.31220 7.28464 2.40153 -227.65135 641.20146
5190.0000 -235.32389 -228.02540 7.29849 2.35985 -228.51305 604.62242
5195.0000 -235.81455 -228.60514 7.20941 2.40377 -227.60522 657.28530
5200.0000 -236.97198 -228.98377 7.98821 2.35483 -228.61698 635.34100
5205.0000 -237.76471 -230.18297 7.58174 2.28604 -230.03914 617.52120
5210.0000 -236.60424 -229.61960 6.98464 2.28724 -230.01429 605.44604
5215.0000 -236.62815 -229.38347 7.24469 2.31824 -229.37327 596.82520
5220.0000 -235.72826 -228.66175 7.06651 2.36658 -228.37407 631.72756
5225.0000 -235.54500 -227.55392 7.99108 2.39456 -227.79561 656.57388
5230.0000 -235.48514 -228.90567 6.57948 2.40013 -227.68046 645.94204
5235.0000 -235.77008 -228.43571 7.33437 2.35640 -228.58455 608.67490
5240.0000 -236.54536 -229.05832 7.48705 2.36792 -228.34620 623.60661
5245.0000 -236.99504 -230.14015 6.85489 2.31220 -229.49831 595.61144
5250.0000 -236.29436 -228.80735 7.48700 2.29094 -229.93769 593.41070
FREEZING PROCESS: loop number 22 T-loop= 593.00000000000000
main_MD> interactions number 22 at Temperature= 593.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42151 -2.01707 2.51594
force_rgl> df(natom) 1.23337 0.67546 0.52302
5255.0000 -237.79827 -230.91569 6.88258 2.29315 -229.89216 588.64082
5260.0000 -237.05511 -230.17757 6.87753 2.30096 -229.73067 583.93551
5265.0000 -236.32084 -229.23939 7.08146 2.28131 -230.13674 568.36477
5270.0000 -236.78234 -229.77356 7.00878 2.30308 -229.68674 568.09259
5275.0000 -236.99718 -230.75083 6.24635 2.27476 -230.27226 545.98435
5280.0000 -236.00768 -229.03492 6.97276 2.28553 -230.04950 577.36127
5285.0000 -238.01004 -230.93190 7.07814 2.26829 -230.40606 560.23827
5290.0000 -237.02995 -229.34242 7.68753 2.27701 -230.22566 561.05139
5295.0000 -235.87432 -229.23090 6.64342 2.33000 -229.13021 593.80874
5300.0000 -236.64429 -228.95204 7.69225 2.31833 -229.37154 581.50895
5305.0000 -236.54764 -230.00347 6.54417 2.29652 -229.82248 555.02810
5310.0000 -236.44040 -229.04430 7.39610 2.30324 -229.68353 574.29744
5315.0000 -235.87538 -228.55836 7.31702 2.33625 -229.00103 600.84619
5320.0000 -236.13813 -228.98689 7.15124 2.33781 -228.96884 599.41705
5325.0000 -237.26048 -229.92368 7.33680 2.30835 -229.57786 581.94711
5330.0000 -236.53961 -229.47859 7.06101 2.33032 -229.12369 602.32782
5335.0000 -236.18915 -227.56459 8.62456 2.36488 -228.40917 634.59100
5340.0000 -235.56795 -227.78945 7.77850 2.39976 -227.68804 654.42536
5345.0000 -236.66978 -228.71148 7.95830 2.36952 -228.31330 642.09160
5350.0000 -236.57210 -227.75828 8.81382 2.37559 -228.18766 641.45710
5355.0000 -235.34698 -226.66869 8.67829 2.40454 -227.58913 658.25258
5360.0000 -237.83041 -229.74393 8.08648 2.33658 -228.99426 636.26420
5365.0000 -236.17977 -228.96265 7.21712 2.31921 -229.35340 602.84466
5370.0000 -236.14146 -229.29805 6.84341 2.31739 -229.39090 584.91553
5375.0000 -237.56096 -230.45219 7.10877 2.28778 -230.00300 598.89390
5380.0000 -237.16716 -230.68339 6.48377 2.25260 -230.73035 562.47533
5385.0000 -235.50418 -230.02844 5.47574 2.29621 -229.82882 575.23554
5390.0000 -236.07728 -229.04451 7.03277 2.31527 -229.43472 606.03453
5395.0000 -236.63216 -229.06974 7.56242 2.34206 -228.88081 621.41280
5400.0000 -236.56015 -228.59808 7.96207 2.36863 -228.33163 635.74524
5405.0000 -235.45410 -227.53237 7.92173 2.40111 -227.66019 658.20635
5410.0000 -237.22811 -230.02951 7.19860 2.37259 -228.24981 633.83988
5415.0000 -237.29514 -230.33680 6.95834 2.27568 -230.25327 552.42174
5420.0000 -235.56420 -228.23369 7.33051 2.33030 -229.12396 604.16577
5425.0000 -236.49418 -228.99964 7.49454 2.37271 -228.24718 611.35586
5430.0000 -237.09071 -229.15262 7.93810 2.35452 -228.62336 604.46146
5435.0000 -235.84043 -229.57179 6.26864 2.33032 -229.12368 578.40294
5440.0000 -236.37686 -229.02571 7.35115 2.35035 -228.70947 613.78951
5445.0000 -236.41732 -230.24595 6.17137 2.32285 -229.27811 593.15667
5450.0000 -236.54485 -230.08081 6.46404 2.29710 -229.81043 592.55991
5455.0000 -236.56335 -229.24045 7.32290 2.31831 -229.37185 599.78923
5460.0000 -236.44091 -229.07050 7.37041 2.32467 -229.24049 618.21970
5465.0000 -234.66247 -228.12172 6.54075 2.35541 -228.60492 653.42163
5470.0000 -235.87478 -229.05838 6.81640 2.35909 -228.52886 640.71520
5475.0000 -238.31387 -231.12061 7.19327 2.27657 -230.23487 586.17466
5480.0000 -237.42903 -230.02100 7.40803 2.26731 -230.42623 572.32965
5485.0000 -238.06177 -231.45417 6.60760 2.22497 -231.30154 542.91570
5490.0000 -236.81523 -229.27045 7.54478 2.24984 -230.78752 555.05714
5495.0000 -236.62754 -229.28722 7.34032 2.32165 -229.30279 595.48815
5500.0000 -236.34709 -229.84214 6.50495 2.31682 -229.40282 591.57381
FREEZING PROCESS: loop number 23 T-loop= 568.00000000000000
main_MD> interactions number 23 at Temperature= 568.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52144 -0.21253 0.20924
force_rgl> df(natom) -0.70733 3.61943 0.28064
5505.0000 -237.65246 -232.03048 5.62197 2.25817 -230.61521 580.07358
5510.0000 -238.84809 -231.93780 6.91029 2.17465 -232.34191 522.16881
5515.0000 -238.50678 -231.24416 7.26261 2.21793 -231.44719 566.72761
5520.0000 -237.98193 -231.30882 6.67311 2.22334 -231.33536 559.49221
5525.0000 -238.11659 -231.12173 6.99485 2.24788 -230.82801 581.71753
5530.0000 -236.65771 -230.06835 6.58935 2.23960 -230.99907 553.05222
5535.0000 -237.00865 -230.67618 6.33247 2.27991 -230.16587 563.29496
5540.0000 -239.52698 -232.41052 7.11645 2.23466 -231.10118 570.50544
5545.0000 -237.07891 -230.87993 6.19898 2.24038 -230.98309 574.87556
5550.0000 -238.84011 -232.12448 6.71564 2.22015 -231.40118 571.60414
5555.0000 -237.93253 -230.98322 6.94931 2.26515 -230.47083 602.83497
5560.0000 -237.02508 -229.82726 7.19782 2.24422 -230.90372 576.75700
5565.0000 -237.16839 -230.72073 6.44766 2.26311 -230.51318 586.88886
5570.0000 -238.18720 -231.00119 7.18601 2.23495 -231.09523 573.37983
5575.0000 -238.35830 -231.67876 6.67954 2.19015 -232.02154 511.08036
5580.0000 -235.81385 -229.29721 6.51664 2.25803 -230.61823 559.89107
5585.0000 -238.27489 -230.32045 7.95445 2.28678 -230.02383 576.06903
5590.0000 -238.07614 -230.99915 7.07698 2.24089 -230.97253 574.79451
5595.0000 -238.10036 -231.19528 6.90508 2.23159 -231.16483 564.19044
5600.0000 -237.36096 -231.16626 6.19471 2.24093 -230.97171 567.89517
5605.0000 -236.87842 -229.83173 7.04669 2.26243 -230.52714 565.16645
5610.0000 -237.04562 -230.35983 6.68579 2.27276 -230.31359 559.95660
5615.0000 -236.79828 -230.33158 6.46670 2.27336 -230.30119 568.48842
5620.0000 -236.85372 -229.04751 7.80621 2.28666 -230.02614 580.36946
5625.0000 -236.38341 -229.46243 6.92098 2.28454 -230.07013 591.11774
5630.0000 -238.66037 -230.89160 7.76877 2.29440 -229.86619 577.07243
5635.0000 -238.36225 -231.13356 7.22869 2.25056 -230.77263 560.18360
5640.0000 -237.86100 -231.04340 6.81760 2.25046 -230.77465 572.91059
5645.0000 -237.00204 -230.12578 6.87626 2.25862 -230.60595 569.83517
5650.0000 -237.57332 -230.24142 7.33190 2.27954 -230.17337 589.67995
5655.0000 -236.65018 -230.30641 6.34376 2.29067 -229.94335 610.88112
5660.0000 -238.00857 -230.57714 7.43143 2.27830 -230.19903 598.29149
5665.0000 -236.23346 -228.47291 7.76055 2.30741 -229.59726 615.95438
5670.0000 -236.81006 -228.63991 8.17014 2.34496 -228.82089 639.96472
5675.0000 -235.64611 -228.29952 7.34659 2.37662 -228.16651 635.60244
5680.0000 -236.77909 -229.04866 7.73043 2.34925 -228.73226 629.02602
5685.0000 -236.90104 -229.70296 7.19808 2.28615 -230.03678 574.17092
5690.0000 -236.44560 -229.52592 6.91968 2.29131 -229.93003 573.61072
5695.0000 -236.92800 -229.10476 7.82324 2.31513 -229.43774 591.11672
5700.0000 -237.77321 -230.87290 6.90031 2.29121 -229.93219 577.40506
5705.0000 -237.03163 -231.40454 5.62709 2.23687 -231.05561 534.54105
5710.0000 -237.03691 -230.47040 6.56651 2.23240 -231.14806 542.02371
5715.0000 -239.36257 -232.68130 6.68127 2.23553 -231.08335 567.67361
5720.0000 -238.58136 -231.61841 6.96294 2.20531 -231.70805 551.78895
5725.0000 -237.31622 -231.02911 6.28711 2.22296 -231.34310 548.69702
5730.0000 -238.08372 -231.30382 6.77990 2.22905 -231.21717 552.75491
5735.0000 -238.87943 -231.86303 7.01639 2.22050 -231.39401 557.17615
5740.0000 -237.58206 -230.71568 6.86638 2.21174 -231.57521 541.56063
5745.0000 -236.76995 -230.43347 6.33647 2.25463 -230.68846 551.07804
5750.0000 -237.51153 -229.75578 7.75575 2.27610 -230.24465 578.47876
FREEZING PROCESS: loop number 24 T-loop= 543.00000000000000
main_MD> interactions number 24 at Temperature= 543.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37486 -2.56214 2.45576
force_rgl> df(natom) -2.90393 1.29356 0.52153
5755.0000 -237.45535 -230.38646 7.06889 2.28931 -229.97149 582.34204
5760.0000 -235.53103 -228.74743 6.78360 2.31214 -229.49947 585.87925
5765.0000 -236.62906 -230.77302 5.85604 2.28660 -230.02750 563.07517
5770.0000 -237.09881 -230.20468 6.89412 2.27699 -230.22617 569.69623
5775.0000 -237.19111 -230.26743 6.92368 2.25996 -230.57827 554.38683
5780.0000 -237.62401 -231.34616 6.27786 2.21433 -231.52160 520.77067
5785.0000 -237.72606 -231.31516 6.41090 2.21641 -231.47849 542.11798
5790.0000 -238.01810 -231.25591 6.76219 2.22773 -231.24455 540.11349
5795.0000 -237.40731 -230.69947 6.70784 2.24418 -230.90449 565.94602
5800.0000 -237.44590 -230.79401 6.65189 2.22828 -231.23308 562.40463
5805.0000 -237.28343 -230.88658 6.39685 2.22315 -231.33917 555.01895
5810.0000 -237.72614 -230.35630 7.36985 2.23463 -231.10181 565.19932
5815.0000 -238.68342 -231.77756 6.90586 2.22849 -231.22877 577.35298
5820.0000 -238.77806 -232.97749 5.80056 2.19601 -231.90031 552.89641
5825.0000 -238.83146 -232.40215 6.42931 2.14520 -232.95084 517.37227
5830.0000 -239.69429 -233.66865 6.02564 2.16136 -232.61666 534.74044
5835.0000 -239.11189 -232.63261 6.47928 2.14962 -232.85931 527.91820
5840.0000 -239.67639 -232.79004 6.88635 2.16423 -232.55737 542.62362
5845.0000 -238.66013 -231.83902 6.82111 2.18773 -232.07145 549.13300
5850.0000 -238.54806 -232.36191 6.18615 2.19501 -231.92094 534.03305
5855.0000 -239.07291 -234.01293 5.05997 2.15402 -232.76831 509.71104
5860.0000 -239.26118 -232.99451 6.26667 2.13541 -233.15322 522.26228
5865.0000 -238.28830 -231.73608 6.55222 2.18245 -232.18068 542.44669
5870.0000 -238.44250 -232.74142 5.70108 2.19159 -231.99166 552.11765
5875.0000 -238.30541 -232.11551 6.18991 2.18278 -232.17392 538.60078
5880.0000 -239.86273 -232.70683 7.15590 2.18719 -232.08270 549.42145
5885.0000 -240.42539 -234.04913 6.37626 2.10191 -233.84573 511.05833
5890.0000 -239.88406 -233.29711 6.58695 2.12571 -233.35368 534.68948
5895.0000 -239.61438 -233.13895 6.47544 2.14737 -232.90580 551.08313
5900.0000 -239.47709 -232.40155 7.07554 2.11718 -233.53005 525.83248
5905.0000 -238.55339 -231.82246 6.73093 2.20702 -231.67262 582.50145
5910.0000 -238.80021 -232.89454 5.90568 2.17798 -232.27311 549.99321
5915.0000 -239.46314 -233.44239 6.02075 2.14215 -233.01377 533.84905
5920.0000 -239.32263 -232.42404 6.89859 2.14586 -232.93701 542.99297
5925.0000 -240.17140 -233.53764 6.63375 2.12347 -233.40003 524.67465
5930.0000 -238.33380 -232.83145 5.50235 2.13376 -233.18720 521.09675
5935.0000 -239.33033 -232.41320 6.91714 2.14368 -232.98226 545.17610
5940.0000 -238.42717 -231.81647 6.61070 2.17016 -232.43479 535.90337
5945.0000 -239.72346 -233.08926 6.63420 2.15624 -232.72254 532.52678
5950.0000 -238.83131 -231.95195 6.87936 2.15424 -232.76378 527.15333
5955.0000 -238.06868 -231.52029 6.54839 2.19452 -231.93114 564.88624
5960.0000 -238.64359 -231.13620 7.50739 2.16995 -232.43909 549.23712
5965.0000 -239.07342 -231.72603 7.34739 2.24562 -230.87465 596.26270
5970.0000 -239.31018 -233.03217 6.27802 2.16509 -232.53955 538.08163
5975.0000 -237.90347 -230.79518 7.10830 2.19394 -231.94310 534.54025
5980.0000 -237.75277 -230.52188 7.23089 2.24980 -230.78828 592.73326
5985.0000 -238.32148 -231.81447 6.50701 2.21611 -231.48471 586.05978
5990.0000 -240.22960 -233.92944 6.30017 2.13523 -233.15690 539.51497
5995.0000 -239.56811 -232.91092 6.65719 2.13469 -233.16802 540.74888
6000.0000 -239.69047 -232.62990 7.06056 2.14941 -232.86363 557.29437
FREEZING PROCESS: loop number 25 T-loop= 518.00000000000000
main_MD> interactions number 25 at Temperature= 518.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09907 2.71614 -3.33957
force_rgl> df(natom) -3.13902 0.15871 0.71590
6005.0000 -240.15616 -233.74472 6.41144 2.11804 -233.51229 536.87075
6010.0000 -240.08459 -233.92559 6.15900 2.08996 -234.09279 507.63304
6015.0000 -240.65911 -234.20010 6.45901 2.10212 -233.84143 520.31222
6020.0000 -240.58760 -234.97004 5.61756 2.07736 -234.35328 510.08096
6025.0000 -239.97044 -233.65214 6.31829 2.07667 -234.36743 495.15827
6030.0000 -240.07997 -233.69978 6.38019 2.11033 -233.67168 512.88870
6035.0000 -240.66342 -234.87872 5.78470 2.10601 -233.76102 516.27851
6040.0000 -239.07277 -233.03412 6.03864 2.09439 -234.00111 509.68038
6045.0000 -240.09558 -233.37083 6.72475 2.09370 -234.01534 519.87215
6050.0000 -239.82284 -234.27273 5.55011 2.10335 -233.81593 519.14606
6055.0000 -240.50802 -234.38257 6.12545 2.07891 -234.32120 502.88148
6060.0000 -241.48114 -235.74487 5.73627 2.06598 -234.58842 492.74918
6065.0000 -240.41414 -234.33011 6.08402 2.03988 -235.12810 495.66355
6070.0000 -240.66239 -234.50998 6.15242 2.05219 -234.87363 504.25169
6075.0000 -241.39072 -236.51835 4.87237 2.03904 -235.14549 491.88919
6080.0000 -241.39331 -235.60142 5.79189 2.02485 -235.43874 485.73499
6085.0000 -241.23682 -235.63601 5.60082 2.00563 -235.83611 467.08993
6090.0000 -239.85100 -233.77419 6.07681 2.07175 -234.46931 519.51937
6095.0000 -241.15747 -234.84657 6.31090 2.03951 -235.13585 492.73723
6100.0000 -240.67513 -234.04563 6.62951 2.05793 -234.75487 501.98188
6105.0000 -241.25005 -235.26744 5.98261 2.05031 -234.91250 505.65242
6110.0000 -240.53614 -234.06585 6.47028 2.03968 -235.13213 489.29492
6115.0000 -241.01974 -234.31176 6.70797 2.07056 -234.49385 512.12340
6120.0000 -240.99002 -235.17617 5.81385 2.04233 -235.07752 491.75788
6125.0000 -241.08469 -234.98228 6.10241 2.04394 -235.04410 494.47945
6130.0000 -240.25354 -235.02553 5.22801 2.04083 -235.10838 493.31563
6135.0000 -240.67698 -234.46064 6.21634 2.06504 -234.60801 506.40960
6140.0000 -240.16250 -234.08154 6.08096 2.08506 -234.19405 507.50605
6145.0000 -240.31354 -234.38919 5.92435 2.08998 -234.09237 510.02619
6150.0000 -240.92140 -234.76598 6.15542 2.07214 -234.46111 495.19484
6155.0000 -240.22731 -233.73612 6.49119 2.08139 -234.26990 509.52745
6160.0000 -240.60474 -234.88236 5.72238 2.08355 -234.22527 520.05819
6165.0000 -240.64457 -233.72837 6.91619 2.10089 -233.86685 524.79053
6170.0000 -239.46025 -232.92889 6.53136 2.13377 -233.18699 557.64399
6175.0000 -240.13995 -234.31204 5.82791 2.11242 -233.62852 550.36737
6180.0000 -240.06079 -233.22245 6.83834 2.11203 -233.63650 544.64520
6185.0000 -240.66123 -233.90285 6.75838 2.12368 -233.39566 552.62934
6190.0000 -240.30281 -234.65098 5.65182 2.07252 -234.45328 518.44341
6195.0000 -241.60691 -235.53635 6.07055 2.04588 -235.00405 489.88801
6200.0000 -240.57928 -234.53564 6.04365 2.03150 -235.30136 480.25735
6205.0000 -239.68051 -234.57809 5.10242 2.05957 -234.72114 508.09535
6210.0000 -241.45142 -235.24867 6.20275 2.04541 -235.01370 487.74617
6215.0000 -240.22343 -234.28824 5.93519 2.04841 -234.95183 485.95910
6220.0000 -240.22554 -233.67211 6.55343 2.09814 -233.92369 511.79009
6225.0000 -240.33787 -233.22334 7.11453 2.12990 -233.26704 529.33256
6230.0000 -240.75992 -235.02554 5.73438 2.08903 -234.11191 521.43968
6235.0000 -240.29385 -235.14276 5.15109 2.04605 -235.00054 481.15333
6240.0000 -239.93226 -234.38978 5.54248 2.06791 -234.54860 493.13321
6245.0000 -239.88205 -233.39017 6.49188 2.09341 -234.02137 509.71511
6250.0000 -240.54336 -233.99328 6.55008 2.12355 -233.39830 544.85972
FREEZING PROCESS: loop number 26 T-loop= 493.00000000000000
main_MD> interactions number 26 at Temperature= 493.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.60981 -2.27248 -5.56109
force_rgl> df(natom) -0.69874 -1.19972 0.06084
6255.0000 -240.77186 -233.75818 7.01368 2.10802 -233.71934 539.00575
6260.0000 -240.24270 -233.54395 6.69875 2.10712 -233.73808 539.14500
6265.0000 -241.11957 -234.86233 6.25724 2.06262 -234.65804 510.06079
6270.0000 -238.83664 -233.33661 5.50003 2.08493 -234.19683 525.91573
6275.0000 -240.72683 -234.80611 5.92071 2.10629 -233.75524 538.43296
6280.0000 -241.94697 -235.62321 6.32376 2.04447 -235.03323 498.92965
6285.0000 -241.39262 -235.78942 5.60320 2.02102 -235.51792 482.60644
6290.0000 -241.61518 -235.42811 6.18707 2.01062 -235.73307 478.90321
6295.0000 -241.00897 -234.93128 6.07769 2.02591 -235.41696 485.33674
6300.0000 -240.59420 -234.42560 6.16860 2.05347 -234.84722 502.09033
6305.0000 -240.75873 -233.07686 7.68187 2.09083 -234.07471 533.94082
6310.0000 -241.15996 -235.68024 5.47972 2.08336 -234.22923 527.26783
6315.0000 -241.77911 -235.73749 6.04162 2.00969 -235.75215 477.69208
6320.0000 -241.00959 -234.56199 6.44759 2.03218 -235.28736 487.57765
6325.0000 -241.56994 -235.51670 6.05324 2.03760 -235.17518 490.99832
6330.0000 -239.40560 -233.83518 5.57041 2.06554 -234.59759 503.66040
6335.0000 -241.44641 -235.49833 5.94808 2.00217 -235.90775 465.76371
6340.0000 -241.17722 -235.28058 5.89663 2.04137 -235.09724 496.25306
6345.0000 -240.70699 -234.37244 6.33455 2.03891 -235.14806 471.69676
6350.0000 -240.68604 -234.37521 6.31084 2.06831 -234.54032 493.99511
6355.0000 -240.01254 -234.53820 5.47434 2.05804 -234.75261 493.90001
6360.0000 -240.77194 -234.91076 5.86118 2.03887 -235.14902 479.60372
6365.0000 -240.60295 -234.77877 5.82418 2.06135 -234.68414 491.58678
6370.0000 -241.59519 -236.77536 4.81984 2.03683 -235.19105 474.01505
6375.0000 -240.49584 -235.32269 5.17315 1.99311 -236.09492 450.32326
6380.0000 -240.60370 -234.56374 6.03996 2.05367 -234.84301 494.07528
6385.0000 -241.10916 -235.27327 5.83589 2.06616 -234.58475 506.91337
6390.0000 -241.39778 -235.39484 6.00294 2.02695 -235.39531 488.33075
6395.0000 -241.76576 -236.46918 5.29658 1.98414 -236.28044 457.50097
6400.0000 -241.79523 -235.99490 5.80033 1.97980 -236.37007 451.98395
6405.0000 -241.25843 -235.20030 6.05813 2.00501 -235.84909 465.31449
6410.0000 -241.10690 -235.59307 5.51383 2.02734 -235.38737 486.29745
6415.0000 -241.23340 -235.66477 5.56863 2.02602 -235.41455 483.63383
6420.0000 -240.80776 -234.28645 6.52131 2.05074 -234.90354 510.40442
6425.0000 -241.55214 -234.60043 6.95171 2.08083 -234.28145 528.39091
6430.0000 -240.68171 -233.85391 6.82780 2.07247 -234.45430 521.82832
6435.0000 -240.24964 -234.77346 5.47618 2.07296 -234.44426 518.99504
6440.0000 -240.09995 -234.27020 5.82976 2.06376 -234.63443 506.39386
6445.0000 -240.49368 -234.58097 5.91272 2.06070 -234.69758 508.89391
6450.0000 -240.49081 -235.31727 5.17353 2.05663 -234.78176 505.93994
6455.0000 -241.37411 -235.53629 5.83783 2.00740 -235.79959 467.45273
6460.0000 -240.96915 -235.58847 5.38068 1.99924 -235.96826 464.88023
6465.0000 -240.88207 -235.23992 5.64216 2.01878 -235.56437 481.68332
6470.0000 -241.50861 -235.21108 6.29753 2.00891 -235.76840 470.82320
6475.0000 -239.75613 -233.88466 5.87147 2.04342 -235.05498 496.59519
6480.0000 -240.27620 -233.73022 6.54598 2.09275 -234.03507 528.58329
6485.0000 -240.12210 -234.39988 5.72222 2.07223 -234.45932 502.18088
6490.0000 -239.68814 -233.53013 6.15802 2.10626 -233.75586 527.39628
6495.0000 -240.40444 -234.08099 6.32345 2.12257 -233.41859 537.06476
6500.0000 -241.42215 -234.94954 6.47261 2.08403 -234.21531 507.65816
FREEZING PROCESS: loop number 27 T-loop= 468.00000000000000
main_MD> interactions number 27 at Temperature= 468.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.35624 2.52128 0.65788
force_rgl> df(natom) -0.01023 0.99398 0.80749
6505.0000 -240.73728 -234.70403 6.03325 2.06054 -234.70105 488.66100
6510.0000 -240.39455 -234.46977 5.92478 2.05721 -234.76975 483.65678
6515.0000 -240.44328 -234.70558 5.73770 2.04931 -234.93306 466.89002
6520.0000 -240.21559 -234.92733 5.28827 2.05603 -234.79417 492.19433
6525.0000 -241.24423 -236.14603 5.09820 2.01189 -235.70686 456.85699
6530.0000 -241.00155 -235.28352 5.71803 2.01239 -235.69642 447.04513
6535.0000 -240.41389 -234.29886 6.11503 2.06246 -234.66130 489.07157
6540.0000 -240.80573 -234.74324 6.06249 2.06192 -234.67241 487.29985
6545.0000 -240.27856 -234.49717 5.78139 2.06358 -234.63822 488.43656
6550.0000 -240.31685 -233.22411 7.09274 2.09365 -234.01639 511.07494
6555.0000 -239.99161 -234.57421 5.41740 2.10552 -233.77102 513.37632
6560.0000 -240.47625 -234.69470 5.78155 2.07487 -234.40468 500.16572
6565.0000 -240.71442 -235.32967 5.38475 2.03981 -235.12962 488.73967
6570.0000 -241.43609 -236.46653 4.96956 2.02140 -235.51024 470.36163
6575.0000 -241.44396 -236.05895 5.38501 1.99303 -236.09665 457.07679
6580.0000 -241.54101 -235.48240 6.05860 2.01037 -235.73813 466.74644
6585.0000 -242.01773 -236.53206 5.48567 1.99065 -236.14578 443.99141
6590.0000 -241.86409 -235.95497 5.90912 1.99706 -236.01340 458.99390
6595.0000 -241.97214 -236.98228 4.98986 1.98540 -236.25437 447.15078
6600.0000 -241.71059 -236.62353 5.08705 1.96416 -236.69354 431.29985
6605.0000 -241.25984 -236.14078 5.11907 1.98685 -236.22451 446.54209
6610.0000 -241.93247 -236.56946 5.36302 1.97577 -236.45342 440.82043
6615.0000 -241.59629 -236.75710 4.83920 1.96427 -236.69118 433.16595
6620.0000 -241.69589 -235.75996 5.93594 2.00817 -235.78367 467.82420
6625.0000 -241.56236 -236.50511 5.05725 2.00446 -235.86039 465.67985
6630.0000 -242.44486 -236.92744 5.51742 1.95915 -236.79709 431.73612
6635.0000 -242.15951 -235.93211 6.22740 1.96308 -236.71586 431.44192
6640.0000 -241.42857 -235.51387 5.91471 2.01977 -235.54377 468.26435
6645.0000 -240.65283 -234.81675 5.83608 2.02100 -235.51843 471.16944
6650.0000 -241.39381 -235.78821 5.60560 2.04313 -235.06097 476.47940
6655.0000 -240.41643 -234.97293 5.44350 2.01492 -235.64409 451.73993
6660.0000 -240.67831 -234.11986 6.55845 2.06943 -234.51712 490.65868
6665.0000 -240.78682 -234.18778 6.59904 2.08115 -234.27482 523.19691
6670.0000 -240.80631 -235.95860 4.84771 2.02392 -235.45807 481.03091
6675.0000 -241.71489 -235.93034 5.78455 2.00578 -235.83312 459.78438
6680.0000 -242.61513 -237.10104 5.51409 1.96813 -236.61152 432.08647
6685.0000 -242.01986 -237.22626 4.79360 1.93261 -237.34575 404.82642
6690.0000 -241.74055 -236.08021 5.66034 1.97438 -236.48215 438.07454
6695.0000 -241.52536 -235.79231 5.73305 2.00309 -235.88861 461.36858
6700.0000 -240.58916 -234.69674 5.89242 2.02010 -235.53697 473.36927
6705.0000 -240.66178 -235.56710 5.09468 2.03836 -235.15943 481.42069
6710.0000 -241.58271 -236.12615 5.45656 1.99619 -236.03126 458.38326
6715.0000 -241.09789 -236.29617 4.80172 1.98021 -236.36174 444.25461
6720.0000 -241.51626 -236.07915 5.43711 1.98486 -236.26555 448.46020
6725.0000 -241.22879 -235.40735 5.82144 1.99980 -235.95679 454.69347
6730.0000 -241.06964 -235.30375 5.76589 2.01083 -235.72860 466.30045
6735.0000 -241.24470 -234.42090 6.82381 2.04860 -234.94793 495.48214
6740.0000 -241.66450 -236.58142 5.08308 2.01539 -235.63442 472.09062
6745.0000 -241.95202 -236.74975 5.20227 1.96741 -236.62627 432.80154
6750.0000 -242.25363 -236.33699 5.91664 1.97301 -236.51049 440.51126
FREEZING PROCESS: loop number 28 T-loop= 443.00000000000000
main_MD> interactions number 28 at Temperature= 443.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99566 0.70960 0.57619
force_rgl> df(natom) -0.19858 1.79899 -1.29630
6755.0000 -242.51054 -237.78571 4.72483 1.95759 -236.82932 427.09943
6760.0000 -241.46388 -237.18837 4.27551 1.91466 -237.71684 394.04351
6765.0000 -242.31968 -237.20259 5.11709 1.92560 -237.49061 398.81522
6770.0000 -241.58398 -235.88247 5.70151 1.98077 -236.35007 444.32318
6775.0000 -242.88550 -236.85677 6.02873 1.97066 -236.55920 435.62404
6780.0000 -241.49642 -235.92226 5.57416 1.96121 -236.75449 427.93566
6785.0000 -241.71225 -236.24583 5.46642 1.97440 -236.48176 440.58613
6790.0000 -242.48637 -237.71034 4.77602 1.94367 -237.11714 417.34018
6795.0000 -241.63848 -236.88681 4.75167 1.93620 -237.27150 411.74849
6800.0000 -241.84353 -236.77544 5.06809 1.96732 -236.62827 433.33951
6805.0000 -241.67514 -236.61762 5.05752 1.98054 -236.35487 442.21662
6810.0000 -242.77172 -237.24932 5.52241 1.96423 -236.69198 430.28167
6815.0000 -242.34632 -237.17870 5.16762 1.95790 -236.82295 420.58333
6820.0000 -242.10123 -237.32494 4.77629 1.94414 -237.10750 415.14190
6825.0000 -242.55721 -236.88538 5.67183 1.94098 -237.17267 414.97054
6830.0000 -242.93084 -238.12755 4.80329 1.93807 -237.23287 412.01412
6835.0000 -242.88447 -237.58756 5.29690 1.91637 -237.68154 400.77883
6840.0000 -241.95668 -236.86267 5.09401 1.93633 -237.26893 412.95488
6845.0000 -241.59789 -236.89622 4.70167 1.95347 -236.91447 420.72802
6850.0000 -242.07548 -236.23732 5.83816 1.97001 -236.57256 436.23183
6855.0000 -241.58293 -236.59866 4.98427 1.97251 -236.52090 436.76144
6860.0000 -241.68880 -236.35829 5.33051 1.97897 -236.38724 440.09781
6865.0000 -241.57346 -236.22588 5.34758 1.98332 -236.29734 446.32269
6870.0000 -241.31713 -236.16364 5.15349 1.99400 -236.07658 456.32010
6875.0000 -241.95727 -236.61881 5.33847 1.96475 -236.68142 432.56516
6880.0000 -241.77216 -236.26500 5.50716 1.97597 -236.44926 443.46019
6885.0000 -241.90783 -235.85089 6.05694 1.96980 -236.57693 432.29936
6890.0000 -240.10766 -234.93900 5.16866 2.01505 -235.64136 461.90355
6895.0000 -240.53219 -234.75279 5.77939 2.06701 -234.56721 512.25893
6900.0000 -241.71097 -236.25738 5.45359 2.03668 -235.19418 483.46857
6905.0000 -242.36259 -236.32773 6.03486 1.98888 -236.18241 451.19338
6910.0000 -242.06400 -236.20591 5.85809 2.00480 -235.85325 460.53245
6915.0000 -241.93485 -236.47384 5.46101 1.97174 -236.53687 439.94750
6920.0000 -240.71422 -235.30138 5.41284 2.00248 -235.90129 463.64556
6925.0000 -240.91564 -235.36499 5.55065 2.01036 -235.73835 464.85357
6930.0000 -241.99575 -236.06714 5.92861 1.99227 -236.11233 456.64553
6935.0000 -242.24734 -236.22177 6.02557 1.96649 -236.64529 432.59738
6940.0000 -240.75759 -234.99536 5.76223 2.00941 -235.75806 463.72586
6945.0000 -241.69383 -236.23784 5.45599 2.00932 -235.75996 469.62270
6950.0000 -241.76494 -236.33313 5.43181 1.99263 -236.10499 453.40325
6955.0000 -241.75502 -235.38984 6.36518 1.99453 -236.06558 453.62561
6960.0000 -242.08098 -236.08538 5.99560 2.02120 -235.51419 476.37803
6965.0000 -240.18759 -235.71498 4.47261 2.01821 -235.57614 465.05067
6970.0000 -240.85798 -235.42907 5.42890 2.01925 -235.55457 456.45519
6975.0000 -241.58449 -235.33302 6.25147 2.03009 -235.33048 464.64148
6980.0000 -241.66407 -236.37555 5.28853 2.00894 -235.76766 447.17826
6985.0000 -241.50953 -236.06525 5.44428 1.98476 -236.26762 431.37774
6990.0000 -241.31022 -236.02297 5.28725 1.99515 -236.05288 442.10567
6995.0000 -240.01345 -235.47915 4.53429 2.01419 -235.65925 449.97718
7000.0000 -240.88616 -235.71260 5.17356 2.01772 -235.58617 448.06289
FREEZING PROCESS: loop number 29 T-loop= 418.00000000000000
main_MD> interactions number 29 at Temperature= 418.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10343 -0.45725 4.00695
force_rgl> df(natom) -0.94210 0.49356 1.01018
7005.0000 -241.01484 -234.99950 6.01534 2.03203 -235.29032 464.81696
7010.0000 -241.38378 -236.13980 5.24398 2.00620 -235.82432 438.45294
7015.0000 -241.14699 -236.15256 4.99443 1.99776 -235.99881 430.50826
7020.0000 -241.00612 -235.95336 5.05276 2.00241 -235.90280 438.86286
7025.0000 -241.00649 -235.68287 5.32362 1.99059 -236.14708 423.20107
7030.0000 -242.03443 -236.43719 5.59724 2.01435 -235.65585 446.78859
7035.0000 -241.49100 -236.10474 5.38627 1.99207 -236.11642 422.69508
7040.0000 -242.02250 -236.79681 5.22569 1.98671 -236.22741 424.92026
7045.0000 -241.26784 -236.54964 4.71820 1.93624 -237.27070 387.70439
7050.0000 -240.95217 -235.90288 5.04929 1.98366 -236.29040 418.75420
7055.0000 -241.43732 -236.61373 4.82358 1.99059 -236.14709 427.23794
7060.0000 -241.07454 -236.11556 4.95898 1.97047 -236.56312 406.21758
7065.0000 -241.33780 -237.21849 4.11931 1.95397 -236.90418 389.43922
7070.0000 -241.71848 -236.78301 4.93547 1.95050 -236.97597 386.90900
7075.0000 -241.94259 -237.53258 4.41001 1.93312 -237.33521 383.39479
7080.0000 -241.79512 -236.77343 5.02169 1.93500 -237.29635 388.83689
7085.0000 -240.95554 -235.37067 5.58486 2.00033 -235.94567 431.29341
7090.0000 -241.22912 -235.95733 5.27179 2.01146 -235.71564 432.56335
7095.0000 -241.86619 -236.30033 5.56587 1.99156 -236.12696 428.67933
7100.0000 -241.21187 -235.61335 5.59852 1.99351 -236.08672 435.07110
7105.0000 -241.64177 -236.30254 5.33923 2.00447 -235.86020 440.06512
7110.0000 -242.10706 -237.38936 4.71770 1.95219 -236.94103 398.77348
7115.0000 -242.66163 -238.14840 4.51324 1.92014 -237.60353 372.97824
7120.0000 -241.14497 -236.81601 4.32896 1.92794 -237.44226 371.86928
7125.0000 -241.40015 -236.64885 4.75130 1.96436 -236.68948 406.99839
7130.0000 -241.71238 -237.19677 4.51561 1.96649 -236.64525 408.65135
7135.0000 -242.07313 -236.69158 5.38155 1.92540 -237.49473 377.75750
7140.0000 -241.31140 -236.32746 4.98393 1.96936 -236.58605 411.23575
7145.0000 -241.49873 -236.35719 5.14155 1.99238 -236.11005 426.71068
7150.0000 -241.27400 -236.20638 5.06762 1.95914 -236.79728 396.51985
7155.0000 -241.06041 -236.20446 4.85595 1.97672 -236.43379 404.47014
7160.0000 -240.84133 -236.11019 4.73114 1.98069 -236.35182 408.10031
7165.0000 -240.79227 -235.37955 5.41272 2.02966 -235.33937 439.58826
7170.0000 -241.60387 -235.59223 6.01164 2.02935 -235.34574 451.00761
7175.0000 -240.83091 -235.54876 5.28215 2.01167 -235.71131 440.62706
7180.0000 -240.84592 -235.91600 4.92992 2.02108 -235.51682 438.39920
7185.0000 -241.70138 -236.05654 5.64484 1.97268 -236.51745 416.60032
7190.0000 -241.44062 -236.39477 5.04584 2.00719 -235.80391 445.67966
7195.0000 -242.03327 -237.31896 4.71430 1.93957 -237.20193 381.89524
7200.0000 -241.83575 -236.48754 5.34821 1.95718 -236.83772 397.78382
7205.0000 -241.36604 -236.38531 4.98074 1.98368 -236.29005 420.76489
7210.0000 -242.18263 -237.39411 4.78852 1.94197 -237.15217 390.76305
7215.0000 -242.17529 -237.31253 4.86276 1.94148 -237.16232 396.08487
7220.0000 -241.84913 -236.82778 5.02135 1.93973 -237.19860 394.00015
7225.0000 -242.10139 -237.25232 4.84907 1.95382 -236.90737 406.88354
7230.0000 -242.07419 -236.84402 5.23017 1.93675 -237.26010 390.69422
7235.0000 -241.83035 -237.25502 4.57533 1.95730 -236.83541 407.42634
7240.0000 -241.24950 -235.81665 5.43284 1.97936 -236.37921 428.63951
7245.0000 -242.78693 -237.31306 5.47387 1.96916 -236.59022 431.83188
7250.0000 -242.02049 -237.17842 4.84207 1.94771 -237.03356 423.68132
FREEZING PROCESS: loop number 30 T-loop= 393.00000000000000
main_MD> interactions number 30 at Temperature= 393.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81122 1.02040 0.19370
force_rgl> df(natom) 0.50358 -0.79612 0.99142
7255.0000 -243.22994 -238.89719 4.33276 1.91907 -237.62570 394.85497
7260.0000 -242.50834 -237.09990 5.40844 1.89219 -238.18131 375.77231
7265.0000 -242.13943 -237.68069 4.45874 1.91586 -237.69209 392.65231
7270.0000 -242.59216 -237.90671 4.68545 1.91389 -237.73273 398.25409
7275.0000 -242.95038 -237.82313 5.12725 1.92458 -237.51169 405.00642
7280.0000 -243.37933 -238.21160 5.16774 1.90189 -237.98095 386.42593
7285.0000 -242.78751 -237.35776 5.42975 1.92153 -237.57477 398.23843
7290.0000 -241.89165 -237.09085 4.80079 1.95384 -236.90682 420.94225
7295.0000 -241.49577 -237.37575 4.12002 1.93427 -237.31139 411.03924
7300.0000 -242.31310 -237.45601 4.85709 1.91465 -237.71716 398.52139
7305.0000 -242.78425 -238.46952 4.31473 1.89717 -238.07840 387.16710
7310.0000 -242.52536 -237.71222 4.81314 1.88093 -238.41410 371.93667
7315.0000 -241.55549 -236.22905 5.32643 1.94073 -237.17789 414.11142
7320.0000 -242.56907 -237.74352 4.82555 1.96237 -236.73058 430.85584
7325.0000 -242.37413 -237.98532 4.38881 1.90832 -237.84795 384.52434
7330.0000 -242.73868 -237.36962 5.36906 1.93147 -237.36941 408.06674
7335.0000 -242.00844 -236.91871 5.08973 1.91833 -237.64105 395.83980
7340.0000 -242.88691 -237.63812 5.24879 1.95030 -236.98006 421.51133
7345.0000 -243.26625 -238.59547 4.67078 1.89918 -238.03691 385.24705
7350.0000 -242.05479 -237.07360 4.98119 1.90177 -237.98330 380.88001
7355.0000 -241.93148 -236.53190 5.39958 1.95780 -236.82507 426.07707
7360.0000 -242.45397 -237.31874 5.13522 1.94313 -237.12832 417.78380
7365.0000 -242.43727 -237.90118 4.53608 1.92197 -237.56570 396.36972
7370.0000 -242.67072 -237.58303 5.08768 1.91856 -237.63628 394.61775
7375.0000 -242.26055 -236.94796 5.31258 1.92174 -237.57040 397.45527
7380.0000 -242.49097 -236.80170 5.68927 1.93333 -237.33092 409.50600
7385.0000 -243.15406 -237.42873 5.72533 1.95724 -236.83648 429.23545
7390.0000 -242.65810 -237.80279 4.85531 1.93167 -237.36512 409.13395
7395.0000 -242.84896 -238.78286 4.06610 1.87683 -238.49901 365.14184
7400.0000 -242.90415 -238.09431 4.80984 1.90215 -237.97558 390.18049
7405.0000 -243.00550 -237.98046 5.02504 1.89684 -238.08520 379.57498
7410.0000 -242.42525 -237.99297 4.43228 1.89429 -238.13792 381.51575
7415.0000 -242.27601 -237.08413 5.19188 1.90660 -237.88355 388.22055
7420.0000 -242.84897 -237.54501 5.30395 1.92079 -237.59011 395.86691
7425.0000 -241.82732 -237.54129 4.28602 1.91858 -237.63572 396.27991
7430.0000 -242.28600 -237.28459 5.00141 1.92092 -237.58746 396.96561
7435.0000 -242.57475 -238.36158 4.21317 1.91831 -237.64131 396.06245
7440.0000 -242.00226 -236.56889 5.43337 1.91316 -237.74795 395.86192
7445.0000 -242.55771 -236.99763 5.56007 1.96095 -236.75979 430.94178
7450.0000 -242.75290 -237.90883 4.84407 1.92059 -237.59431 401.48563
7455.0000 -242.83016 -238.81345 4.01670 1.88480 -238.33416 373.47993
7460.0000 -242.22388 -237.53608 4.68780 1.88290 -238.37351 372.34197
7465.0000 -243.06484 -238.41198 4.65285 1.92164 -237.57256 404.53075
7470.0000 -242.10918 -237.78786 4.32133 1.89189 -238.18768 376.67100
7475.0000 -243.00221 -238.33158 4.67063 1.90939 -237.82574 389.80482
7480.0000 -242.51425 -237.32594 5.18831 1.91118 -237.78880 395.68428
7485.0000 -242.55403 -237.84904 4.70500 1.91053 -237.80228 396.39151
7490.0000 -242.29578 -237.37835 4.91744 1.90314 -237.95499 386.59941
7495.0000 -242.88675 -237.91536 4.97139 1.89683 -238.08541 375.96831
7500.0000 -242.45907 -237.22138 5.23769 1.91823 -237.64295 390.02622
FREEZING PROCESS: loop number 31 T-loop= 368.00000000000000
main_MD> interactions number 31 at Temperature= 368.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58609 1.59492 0.78892
force_rgl> df(natom) 1.64179 0.95365 1.28523
7505.0000 -243.57459 -239.13462 4.43998 1.87569 -238.52251 365.85912
7510.0000 -242.34570 -237.12975 5.21595 1.89353 -238.15360 375.08410
7515.0000 -242.83090 -237.71024 5.12067 1.91613 -237.68651 395.57074
7520.0000 -241.73429 -237.43656 4.29773 1.91215 -237.76881 391.80640
7525.0000 -243.08398 -238.67512 4.40886 1.88016 -238.43004 370.70225
7530.0000 -242.61168 -237.85795 4.75373 1.86159 -238.81397 355.65949
7535.0000 -242.63591 -237.90554 4.73037 1.90181 -237.98254 386.80567
7540.0000 -243.11634 -238.30027 4.81607 1.88840 -238.25972 377.25715
7545.0000 -242.88092 -238.52362 4.35730 1.87595 -238.51717 363.02329
7550.0000 -242.46988 -237.72456 4.74532 1.87801 -238.47462 363.73674
7555.0000 -242.30197 -237.91784 4.38412 1.90679 -237.87953 387.69005
7560.0000 -243.29610 -239.21032 4.08578 1.86751 -238.69164 360.98933
7565.0000 -242.72788 -238.34824 4.37964 1.86352 -238.77405 353.45990
7570.0000 -242.60107 -237.99856 4.60252 1.88816 -238.26480 373.07316
7575.0000 -243.01152 -238.30077 4.71075 1.89392 -238.14567 378.26916
7580.0000 -243.15411 -238.92374 4.23037 1.87986 -238.43639 367.09088
7585.0000 -243.40636 -238.96099 4.44538 1.87110 -238.61746 361.72476
7590.0000 -243.15016 -238.85236 4.29780 1.86434 -238.75711 357.25978
7595.0000 -242.77651 -239.32468 3.45183 1.83068 -239.45294 328.08762
7600.0000 -242.57353 -238.50386 4.06967 1.85843 -238.87936 351.83467
7605.0000 -242.86277 -238.29405 4.56872 1.88170 -238.39834 371.98938
7610.0000 -242.53755 -237.85436 4.68319 1.88813 -238.26538 375.68345
7615.0000 -243.78584 -238.63363 5.15221 1.88865 -238.25467 374.82940
7620.0000 -243.10694 -238.52500 4.58194 1.86619 -238.71885 356.75375
7625.0000 -243.34276 -238.86237 4.48039 1.86914 -238.65798 360.03363
7630.0000 -242.40332 -238.36711 4.03622 1.85069 -239.03939 345.52539
7635.0000 -243.27229 -239.40235 3.86994 1.84048 -239.25040 336.59123
7640.0000 -242.61378 -237.84315 4.77063 1.86821 -238.67723 359.55059
7645.0000 -242.49568 -238.07108 4.42460 1.90093 -238.00076 383.68117
7650.0000 -243.11204 -238.97491 4.13714 1.89285 -238.16779 375.73326
7655.0000 -242.68401 -238.04211 4.64190 1.87536 -238.52935 366.04159
7660.0000 -242.37676 -237.46275 4.91401 1.92714 -237.45893 402.94708
7665.0000 -241.66515 -236.94431 4.72084 1.96023 -236.77468 429.90721
7670.0000 -241.75070 -236.85710 4.89361 1.94558 -237.07757 416.49331
7675.0000 -243.48475 -238.64968 4.83507 1.92393 -237.52524 398.03162
7680.0000 -242.91571 -238.48241 4.43330 1.86859 -238.66931 356.69816
7685.0000 -243.15778 -239.00778 4.15000 1.86134 -238.81928 354.30255
7690.0000 -243.55114 -238.97969 4.57145 1.86111 -238.82404 350.55441
7695.0000 -243.17385 -238.74897 4.42488 1.85277 -238.99639 345.32621
7700.0000 -243.12061 -239.02453 4.09608 1.88099 -238.41285 372.13563
7705.0000 -243.44895 -239.46777 3.98118 1.85967 -238.85381 351.83715
7710.0000 -243.34274 -238.78142 4.56131 1.84062 -239.24764 335.35310
7715.0000 -242.96013 -238.80398 4.15615 1.87449 -238.54734 361.21366
7720.0000 -243.19000 -238.60953 4.58047 1.85980 -238.85104 350.81084
7725.0000 -242.99108 -238.63428 4.35681 1.87366 -238.56451 358.62093
7730.0000 -243.78708 -238.86099 4.92608 1.85058 -239.04161 345.67419
7735.0000 -242.70158 -237.89914 4.80244 1.87619 -238.51220 363.81098
7740.0000 -242.26678 -237.85764 4.40915 1.90631 -237.88946 386.26970
7745.0000 -241.91720 -237.62603 4.29117 1.91738 -237.66056 396.63065
7750.0000 -243.18963 -238.59113 4.59849 1.91985 -237.60960 397.60366
FREEZING PROCESS: loop number 32 T-loop= 343.00000000000000
main_MD> interactions number 32 at Temperature= 343.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.21926 -1.10108 -1.18569
force_rgl> df(natom) -1.55262 1.06532 1.24009
7755.0000 -243.27904 -239.64765 3.63138 1.85193 -239.01370 347.11575
7760.0000 -243.46613 -239.18768 4.27844 1.84046 -239.25094 336.78476
7765.0000 -242.74247 -238.81406 3.92840 1.84731 -239.10919 343.74312
7770.0000 -243.39859 -239.52437 3.87422 1.81702 -239.73537 316.77313
7775.0000 -243.70048 -239.79574 3.90474 1.80495 -239.98502 309.24461
7780.0000 -243.34845 -239.45783 3.89062 1.81244 -239.83013 313.61164
7785.0000 -243.51707 -239.15486 4.36221 1.84725 -239.11056 343.83858
7790.0000 -243.05059 -239.21051 3.84008 1.83982 -239.26410 335.71483
7795.0000 -243.55177 -239.60608 3.94569 1.85058 -239.04156 342.15049
7800.0000 -243.55222 -239.42899 4.12323 1.82684 -239.53233 325.83380
7805.0000 -243.39741 -239.13836 4.25905 1.82697 -239.52972 326.46618
7810.0000 -243.92967 -240.25006 3.67961 1.82171 -239.63849 322.84626
7815.0000 -243.74776 -239.64618 4.10158 1.80036 -240.07991 307.18535
7820.0000 -242.92541 -238.66755 4.25786 1.84196 -239.21982 338.97480
7825.0000 -243.23165 -239.12972 4.10193 1.83812 -239.29932 336.85542
7830.0000 -243.00751 -238.37342 4.63410 1.85273 -238.99716 347.73388
7835.0000 -242.75799 -238.73549 4.02250 1.88859 -238.25575 374.61264
7840.0000 -242.99477 -238.68757 4.30720 1.87514 -238.53382 362.55622
7845.0000 -243.28488 -238.94641 4.33847 1.86795 -238.68247 358.29476
7850.0000 -243.25311 -239.45860 3.79451 1.84992 -239.05529 343.36509
7855.0000 -243.85298 -239.97006 3.88292 1.81187 -239.84190 315.28853
7860.0000 -243.60800 -239.42533 4.18267 1.83212 -239.42324 333.47419
7865.0000 -242.94035 -239.14312 3.79724 1.82742 -239.52052 327.56060
7870.0000 -243.01941 -239.57722 3.44219 1.81603 -239.75590 318.05767
7875.0000 -243.64647 -239.35411 4.29236 1.81812 -239.71279 319.82730
7880.0000 -243.27355 -239.49851 3.77504 1.83290 -239.40713 333.29886
7885.0000 -242.82187 -238.12662 4.69525 1.86448 -238.75429 350.50524
7890.0000 -243.07317 -238.17907 4.89410 1.88179 -238.39646 369.44444
7895.0000 -242.82248 -238.95192 3.87055 1.86725 -238.69692 355.93777
7900.0000 -243.49524 -239.34778 4.14746 1.85312 -238.98920 344.62623
7905.0000 -243.13647 -238.65024 4.48623 1.86714 -238.69922 362.06472
7910.0000 -243.29078 -238.54471 4.74607 1.85757 -238.89715 353.46770
7915.0000 -242.71477 -238.33827 4.37650 1.85378 -238.97550 344.88848
7920.0000 -243.24595 -238.58354 4.66241 1.90366 -237.94430 387.36673
7925.0000 -243.11389 -239.03506 4.07883 1.84599 -239.13655 340.13365
7930.0000 -242.95915 -239.00570 3.95345 1.85401 -238.97072 347.92719
7935.0000 -243.10715 -238.74630 4.36084 1.86156 -238.81454 355.58391
7940.0000 -242.83122 -238.46035 4.37087 1.86166 -238.81257 354.06154
7945.0000 -242.36850 -237.85358 4.51491 1.89400 -238.14395 377.33462
7950.0000 -242.50187 -237.77899 4.72288 1.89186 -238.18830 379.12854
7955.0000 -242.50861 -238.03483 4.47379 1.88779 -238.27230 372.99089
7960.0000 -242.90168 -237.59940 5.30228 1.89020 -238.22255 376.85291
7965.0000 -242.93333 -238.44344 4.48989 1.92481 -237.50698 401.57708
7970.0000 -243.47259 -238.46250 5.01009 1.86820 -238.67736 358.80593
7975.0000 -243.32048 -238.91521 4.40526 1.86928 -238.65509 360.69369
7980.0000 -242.98101 -238.97967 4.00134 1.85877 -238.87226 351.43362
7985.0000 -243.46406 -239.12873 4.33534 1.83567 -239.34992 332.34310
7990.0000 -243.13572 -238.87687 4.25886 1.84423 -239.17301 338.66801
7995.0000 -242.98607 -238.65323 4.33283 1.84167 -239.22584 337.88670
8000.0000 -243.20567 -239.28400 3.92167 1.84203 -239.21847 337.92697
FREEZING PROCESS: loop number 33 T-loop= 318.00000000000000
main_MD> interactions number 33 at Temperature= 318.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.24374 1.12290 -0.85923
force_rgl> df(natom) 1.97609 -0.27999 -0.19402
8005.0000 -243.62126 -239.69775 3.92351 1.80860 -239.90948 312.71971
8010.0000 -243.94948 -240.67418 3.27530 1.78460 -240.40578 293.49525
8015.0000 -243.36467 -239.52459 3.84008 1.79617 -240.16645 301.71736
8020.0000 -244.29081 -239.74998 4.54083 1.82176 -239.63739 325.20930
8025.0000 -243.23295 -239.24170 3.99125 1.82209 -239.63060 321.00103
8030.0000 -243.84432 -239.99214 3.85218 1.81863 -239.70211 318.65843
8035.0000 -244.04839 -240.53832 3.51007 1.79755 -240.13804 301.81149
8040.0000 -243.89821 -240.21429 3.68392 1.78934 -240.30770 297.32584
8045.0000 -243.84483 -239.88093 3.96389 1.81788 -239.71764 319.78190
8050.0000 -243.45753 -239.63008 3.82745 1.82116 -239.64976 323.13423
8055.0000 -243.67824 -240.26304 3.41520 1.80539 -239.97591 309.39319
8060.0000 -243.78903 -239.45014 4.33888 1.80901 -239.90107 312.69268
8065.0000 -243.70315 -240.53254 3.17061 1.81218 -239.83559 315.53218
8070.0000 -243.57509 -239.62091 3.95418 1.80268 -240.03190 307.15215
8075.0000 -243.72883 -239.41736 4.31147 1.82457 -239.57933 323.62770
8080.0000 -243.44500 -238.92013 4.52488 1.84573 -239.14193 338.56791
8085.0000 -243.86494 -240.08318 3.78176 1.82017 -239.67040 323.22628
8090.0000 -243.57209 -239.23273 4.33936 1.80474 -239.98923 306.44859
8095.0000 -243.48511 -239.54907 3.93604 1.82686 -239.53201 325.96846
8100.0000 -243.83407 -239.96056 3.87350 1.82366 -239.59818 324.45048
8105.0000 -243.20811 -239.23291 3.97520 1.80844 -239.91284 311.95084
8110.0000 -243.41346 -239.34461 4.06885 1.82546 -239.56098 326.10079
8115.0000 -243.20446 -239.31236 3.89210 1.83216 -239.42239 329.17257
8120.0000 -242.93064 -239.01447 3.91617 1.82603 -239.54927 325.77143
8125.0000 -243.28557 -239.23245 4.05312 1.83809 -239.29982 337.06245
8130.0000 -243.50067 -239.96483 3.53584 1.82786 -239.51143 328.75551
8135.0000 -244.04891 -239.95561 4.09329 1.79608 -240.16842 301.42650
8140.0000 -243.48949 -239.90077 3.58872 1.80626 -239.95787 309.75803
8145.0000 -244.02888 -240.22807 3.80081 1.80753 -239.93167 310.63185
8150.0000 -243.62925 -239.90365 3.72560 1.80100 -240.06656 304.99354
8155.0000 -243.90339 -240.14930 3.75409 1.80394 -240.00580 307.11834
8160.0000 -244.20966 -240.11359 4.09608 1.80702 -239.94217 310.88264
8165.0000 -243.32958 -239.37014 3.95944 1.81675 -239.74103 316.66141
8170.0000 -243.23774 -239.44113 3.79661 1.83583 -239.34667 333.05104
8175.0000 -243.54870 -239.44310 4.10560 1.83460 -239.37196 332.14210
8180.0000 -243.41175 -239.68169 3.73007 1.82012 -239.67142 319.74685
8185.0000 -243.12792 -239.48048 3.64744 1.81458 -239.78589 316.24706
8190.0000 -243.18477 -239.34760 3.83717 1.84781 -239.09880 341.74095
8195.0000 -243.68911 -239.81987 3.86924 1.82268 -239.61844 327.46261
8200.0000 -243.48378 -239.14545 4.33832 1.80658 -239.95133 309.88232
8205.0000 -243.34435 -239.71688 3.62746 1.83380 -239.38858 332.28860
8210.0000 -243.59400 -239.53919 4.05481 1.81575 -239.76160 317.44568
8215.0000 -243.80946 -239.64422 4.16524 1.84307 -239.19697 337.49619
8220.0000 -243.20916 -239.56860 3.64056 1.82978 -239.47157 326.53469
8225.0000 -243.66341 -239.81897 3.84444 1.81490 -239.77921 316.69396
8230.0000 -244.26819 -239.89194 4.37625 1.81652 -239.74575 320.30396
8235.0000 -244.12380 -240.41551 3.70829 1.79133 -240.26654 297.73557
8240.0000 -243.95899 -240.69828 3.26071 1.77921 -240.51704 288.35893
8245.0000 -243.33399 -239.94076 3.39324 1.79712 -240.14679 303.02795
8250.0000 -242.73498 -238.94944 3.78553 1.81868 -239.70110 319.94472
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 17 [min], 33.2613449 [s].
main_MD> Deallocating global variables
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