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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_20/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_20.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 = 20 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 20 2000
main_MD> Size of nv and nvoiz: 20 2000
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 = 20
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -1.1089514942169388E-002 -0.13804340827116873 -0.24978848034827336 initial drift of cluster / NP1 for coalescence
init> 0.39885084672960003 0.37947439640333092 0.24671638216840366 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5657457194071835E-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) -0.88689 -4.10517 -0.17740
force_rgl> df(natom) -3.39999 1.46917 -0.03009
preparo> THERMALIZATION PROCESS AT 1113.1910048929296
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -42.650926390345198 2.2144581640054528 -44.865384554350648 5.1147058042995397E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1078.0000000000000
main_MD> interactions number 1 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71715 -0.50829 1.09465
force_rgl> df(natom) 2.34092 1.47059 0.36835
5.0000 -44.34640 -41.60567 2.74073 2.30176 -42.04050 971.85077
10.0000 -44.69564 -42.08398 2.61166 2.36726 -41.55785 1068.00185
15.0000 -44.51058 -42.17500 2.33558 2.26137 -42.33806 984.22992
20.0000 -43.52918 -40.96695 2.56223 2.30670 -42.00411 1086.11034
25.0000 -44.92419 -42.66423 2.25996 2.32876 -41.84158 1004.17414
30.0000 -45.50940 -43.02316 2.48624 2.21727 -42.66298 919.89999
35.0000 -44.39771 -42.08114 2.31657 2.19691 -42.81304 942.67098
40.0000 -45.38687 -42.66590 2.72097 2.31306 -41.95722 1072.62566
45.0000 -44.66245 -41.74799 2.91446 2.31996 -41.90639 1016.68129
50.0000 -45.49339 -43.02172 2.47167 2.20946 -42.72057 925.82280
55.0000 -45.25863 -42.36038 2.89825 2.28098 -42.19357 1018.10356
60.0000 -43.36911 -40.36909 3.00002 2.37277 -41.51725 1133.98674
65.0000 -43.47887 -40.94398 2.53489 2.50527 -40.54104 1207.80261
70.0000 -44.18571 -41.72366 2.46205 2.38701 -41.41234 1182.13181
75.0000 -44.88194 -41.85552 3.02642 2.25996 -42.34846 969.73681
80.0000 -43.41831 -41.41032 2.00800 2.37285 -41.51667 1098.20554
85.0000 -44.89429 -41.97123 2.92307 2.35476 -41.65001 1090.61509
90.0000 -44.21069 -41.71682 2.49387 2.28987 -42.12807 931.89110
95.0000 -43.71868 -40.68421 3.03447 2.37145 -41.52698 1046.19619
100.0000 -44.65721 -41.09041 3.56680 2.46126 -40.86526 1203.15654
105.0000 -44.55149 -41.72544 2.82604 2.35978 -41.61296 1127.00634
110.0000 -44.23228 -41.00345 3.22883 2.38848 -41.40152 1155.79889
115.0000 -44.55522 -40.59416 3.96106 2.45691 -40.89735 1240.21042
120.0000 -43.81148 -41.53632 2.27516 2.44902 -40.95550 1202.56269
125.0000 -45.36543 -42.94959 2.41584 2.37342 -41.51247 1077.96761
130.0000 -45.34018 -42.48608 2.85410 2.24473 -42.46071 897.72628
135.0000 -44.95326 -41.81987 3.13339 2.30610 -42.00853 1028.94673
140.0000 -44.77663 -42.07763 2.69899 2.29014 -42.12612 993.73083
145.0000 -44.44886 -41.78850 2.66036 2.34515 -41.72079 1020.73920
150.0000 -44.59339 -41.18995 3.40344 2.42108 -41.16130 1164.04849
155.0000 -45.14689 -42.37670 2.77020 2.25484 -42.38617 950.16638
160.0000 -44.71265 -42.61527 2.09738 2.23550 -42.52872 992.80335
165.0000 -45.17065 -41.65883 3.51182 2.24157 -42.48400 937.61782
170.0000 -44.96757 -42.50138 2.46619 2.26451 -42.31493 988.89113
175.0000 -45.17128 -43.09004 2.08124 2.26693 -42.29714 987.56105
180.0000 -45.91228 -43.40517 2.50710 2.15967 -43.08742 907.88783
185.0000 -45.07610 -42.42056 2.65555 2.18196 -42.92318 859.85598
190.0000 -44.89917 -42.44141 2.45775 2.29476 -42.09206 1028.58583
195.0000 -45.06867 -40.79867 4.27000 2.34207 -41.74348 1083.84694
200.0000 -44.07924 -41.06412 3.01512 2.43065 -41.09079 1202.64181
205.0000 -44.40198 -42.15574 2.24623 2.38229 -41.44712 1124.59982
210.0000 -44.85451 -42.83075 2.02376 2.15876 -43.09413 766.31391
215.0000 -45.52967 -42.76957 2.76010 2.20381 -42.76218 887.88730
220.0000 -44.70758 -41.46518 3.24240 2.35162 -41.67315 1102.55416
225.0000 -44.44398 -41.72577 2.71821 2.34008 -41.75814 1118.84907
230.0000 -44.36987 -42.10828 2.26159 2.20567 -42.74849 937.73653
235.0000 -44.76518 -41.57201 3.19317 2.39518 -41.35216 1155.64314
240.0000 -44.10761 -40.23491 3.87270 2.45884 -40.88310 1129.46404
245.0000 -44.03361 -41.28773 2.74588 2.44903 -40.95537 1157.46018
250.0000 -44.21225 -41.41959 2.79265 2.40066 -41.31175 1097.88521
FREEZING PROCESS: loop number 2 T-loop= 1053.0000000000000
main_MD> interactions number 2 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.30516 -2.53351 -1.82039
force_rgl> df(natom) 6.60937 0.88129 -2.11430
255.0000 -45.06194 -42.76469 2.29725 2.28075 -42.19531 1038.80387
260.0000 -45.00161 -42.80890 2.19270 2.29067 -42.12218 1017.33350
265.0000 -45.76501 -43.59950 2.16551 2.21648 -42.66881 943.31133
270.0000 -45.90034 -43.87988 2.02045 2.07609 -43.70320 823.06568
275.0000 -44.82602 -42.82933 1.99668 2.16786 -43.02704 929.57972
280.0000 -44.79490 -42.85777 1.93712 2.20121 -42.78133 895.76022
285.0000 -45.16440 -42.44080 2.72360 2.19881 -42.79901 926.12449
290.0000 -45.37962 -42.92121 2.45841 2.18230 -42.92066 883.69605
295.0000 -44.02008 -41.86919 2.15089 2.22244 -42.62493 935.93952
300.0000 -44.20229 -41.78987 2.41241 2.24054 -42.49158 953.33764
305.0000 -45.30413 -43.12853 2.17561 2.25753 -42.36638 893.10887
310.0000 -45.34048 -43.14910 2.19138 2.17041 -43.00826 868.82315
315.0000 -44.66819 -42.05428 2.61391 2.16791 -43.02670 849.15814
320.0000 -44.31570 -41.83904 2.47666 2.28208 -42.18552 1038.35098
325.0000 -44.89233 -42.01052 2.88181 2.32139 -41.89585 998.67279
330.0000 -44.99292 -42.35006 2.64286 2.34123 -41.74969 1097.71838
335.0000 -43.94643 -41.54908 2.39735 2.31011 -41.97895 999.69196
340.0000 -44.42351 -41.59189 2.83161 2.32980 -41.83386 1014.89776
345.0000 -44.48878 -41.75885 2.72994 2.28295 -42.17906 965.12609
350.0000 -44.71448 -42.79697 1.91752 2.29479 -42.09186 997.28858
355.0000 -43.68441 -41.48473 2.19967 2.22926 -42.57466 933.28376
360.0000 -44.05448 -41.17752 2.87696 2.41943 -41.17352 1095.72651
365.0000 -44.68756 -41.02203 3.66553 2.43330 -41.07130 1156.55479
370.0000 -43.30401 -40.99912 2.30489 2.44591 -40.97836 1155.78213
375.0000 -44.80241 -42.32824 2.47418 2.34504 -41.72158 1085.52481
380.0000 -44.78524 -41.91546 2.86978 2.35814 -41.62509 1095.86674
385.0000 -44.33877 -41.79900 2.53976 2.34837 -41.69703 1097.31124
390.0000 -44.50889 -41.51987 2.98902 2.33401 -41.80287 1023.62840
395.0000 -44.32903 -42.11842 2.21061 2.34864 -41.69509 1018.69332
400.0000 -45.37946 -43.66257 1.71688 2.18040 -42.93465 925.69511
405.0000 -45.19012 -42.73002 2.46010 2.14547 -43.19201 828.77126
410.0000 -44.40669 -41.69915 2.70753 2.32122 -41.89707 1025.91373
415.0000 -44.90731 -42.45127 2.45604 2.27889 -42.20896 1035.78480
420.0000 -45.36052 -43.23475 2.12577 2.20897 -42.72417 948.12203
425.0000 -45.24275 -42.56907 2.67368 2.23747 -42.51418 960.48770
430.0000 -44.42682 -42.01337 2.41345 2.22698 -42.59149 944.95254
435.0000 -45.09880 -42.04917 3.04964 2.34268 -41.73901 984.11504
440.0000 -42.80404 -39.53649 3.26755 2.47344 -40.77553 1279.34941
445.0000 -43.74301 -41.09518 2.64783 2.55037 -40.20871 1281.58545
450.0000 -45.37794 -42.31479 3.06316 2.42539 -41.12957 1152.58278
455.0000 -44.50409 -41.70672 2.79738 2.27778 -42.21716 1015.54868
460.0000 -45.00207 -41.00038 4.00169 2.37710 -41.48536 1091.28806
465.0000 -43.59775 -41.70747 1.89027 2.38894 -41.39814 1111.10414
470.0000 -44.94644 -41.51401 3.43244 2.36063 -41.60669 1086.02346
475.0000 -43.96403 -41.11510 2.84893 2.35442 -41.65248 1097.04273
480.0000 -44.33138 -41.00599 3.32540 2.45031 -40.94596 1184.84697
485.0000 -43.54514 -40.82752 2.71762 2.43859 -41.03235 1191.29725
490.0000 -43.73813 -41.38955 2.34858 2.44583 -40.97893 1192.38319
495.0000 -44.51473 -40.96251 3.55222 2.33602 -41.78803 1111.44498
500.0000 -43.70990 -41.23844 2.47146 2.35910 -41.61803 1086.55808
FREEZING PROCESS: loop number 3 T-loop= 1028.0000000000000
main_MD> interactions number 3 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 8.11414 -5.52908 -0.35665
force_rgl> df(natom) 2.53730 -2.78347 0.06009
505.0000 -43.60209 -40.45636 3.14573 2.39929 -41.32186 1157.99530
510.0000 -44.95037 -41.61492 3.33545 2.40511 -41.27903 1139.14806
515.0000 -43.84985 -40.52025 3.32960 2.38147 -41.45315 1134.57244
520.0000 -44.05019 -41.39864 2.65155 2.49415 -40.62292 1198.16944
525.0000 -44.15462 -41.24621 2.90841 2.35855 -41.62207 1063.16798
530.0000 -43.94148 -41.30041 2.64107 2.46999 -40.80099 1124.03167
535.0000 -45.13169 -41.75964 3.37205 2.27981 -42.20222 928.43358
540.0000 -44.70871 -41.54913 3.15958 2.41084 -41.23676 1151.72462
545.0000 -44.62643 -42.30912 2.31731 2.30538 -42.01379 1029.71841
550.0000 -44.44909 -41.46087 2.98822 2.25591 -42.37832 966.56571
555.0000 -45.99665 -42.68097 3.31568 2.29936 -42.05815 1104.84117
560.0000 -44.94706 -42.63916 2.30791 2.21078 -42.71080 954.12451
565.0000 -44.30467 -42.03335 2.27132 2.26048 -42.34461 956.16227
570.0000 -44.85899 -42.74496 2.11403 2.26683 -42.29785 1010.22284
575.0000 -44.31696 -40.87578 3.44118 2.38335 -41.43934 1161.40801
580.0000 -44.37024 -41.23873 3.13150 2.36898 -41.54519 1080.60434
585.0000 -44.87668 -42.33959 2.53709 2.25965 -42.35079 945.90677
590.0000 -44.70940 -42.48213 2.22727 2.23445 -42.53640 918.92251
595.0000 -43.99295 -41.94957 2.04338 2.30258 -42.03445 972.96673
600.0000 -44.73892 -42.12860 2.61033 2.26940 -42.27892 1022.36823
605.0000 -44.00972 -40.96031 3.04940 2.31142 -41.96928 1061.46159
610.0000 -42.78295 -39.98745 2.79551 2.45563 -40.90676 1179.43882
615.0000 -43.06035 -40.26228 2.79807 2.56443 -40.10511 1314.60650
620.0000 -42.60401 -39.77998 2.82403 2.52962 -40.36161 1210.78648
625.0000 -44.33542 -41.15012 3.18530 2.55430 -40.17974 1262.82321
630.0000 -43.81935 -40.71487 3.10449 2.38015 -41.46291 1144.40389
635.0000 -44.55592 -41.69323 2.86269 2.43933 -41.02684 1149.65267
640.0000 -44.18322 -42.06895 2.11427 2.30809 -41.99387 1028.24517
645.0000 -45.17231 -42.69983 2.47248 2.29293 -42.10554 981.67854
650.0000 -44.51579 -42.37250 2.14329 2.26119 -42.33940 887.93247
655.0000 -43.42688 -40.74376 2.68311 2.38772 -41.40711 1078.42559
660.0000 -44.50593 -42.38899 2.11694 2.37012 -41.53680 1023.73642
665.0000 -44.88064 -41.78535 3.09529 2.24073 -42.49017 984.49466
670.0000 -44.32283 -41.82787 2.49496 2.29990 -42.05422 948.11456
675.0000 -44.75044 -41.88155 2.86889 2.34224 -41.74226 1099.92442
680.0000 -44.49924 -41.94140 2.55785 2.28442 -42.16827 1046.94768
685.0000 -45.51306 -43.20323 2.30984 2.23670 -42.51986 984.72598
690.0000 -45.82678 -43.20320 2.62358 2.14306 -43.20981 864.96779
695.0000 -44.71525 -42.10764 2.60760 2.22770 -42.58616 989.12381
700.0000 -44.54418 -41.96909 2.57509 2.30088 -42.04699 1027.63167
705.0000 -45.03567 -42.15233 2.88334 2.27619 -42.22887 993.46808
710.0000 -44.81980 -42.01010 2.80970 2.39264 -41.37087 1118.20856
715.0000 -44.32113 -40.92845 3.39268 2.35204 -41.67005 1046.37100
720.0000 -43.64744 -41.12957 2.51787 2.45835 -40.88670 1113.40278
725.0000 -45.14855 -42.17547 2.97308 2.44928 -40.95357 1190.25931
730.0000 -45.21849 -43.07269 2.14580 2.23727 -42.51564 977.07118
735.0000 -45.16800 -42.55559 2.61240 2.16778 -43.02764 854.73793
740.0000 -44.49946 -41.79398 2.70547 2.32742 -41.85140 1032.71642
745.0000 -44.55369 -42.90401 1.64968 2.28463 -42.16668 938.07081
750.0000 -45.65967 -42.52941 3.13026 2.26340 -42.32309 967.50493
FREEZING PROCESS: loop number 4 T-loop= 1003.0000000000000
main_MD> interactions number 4 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.19070 0.71242 -0.16281
force_rgl> df(natom) 0.30532 -1.86540 -0.53457
755.0000 -44.94836 -42.51666 2.43170 2.19962 -42.79304 952.74483
760.0000 -43.96018 -41.41565 2.54453 2.23265 -42.54967 961.49353
765.0000 -44.25441 -41.42975 2.82466 2.41858 -41.17974 1033.99500
770.0000 -44.50183 -42.31022 2.19161 2.40409 -41.28648 1131.15804
775.0000 -45.85630 -43.50264 2.35366 2.27209 -42.25911 1005.72249
780.0000 -45.60193 -41.58840 4.01354 2.18904 -42.87102 923.84107
785.0000 -44.05988 -41.40408 2.65580 2.37156 -41.52617 1109.51607
790.0000 -43.43031 -41.54132 1.88900 2.38882 -41.39902 1128.86276
795.0000 -44.91272 -41.23151 3.68122 2.37298 -41.51575 1067.48674
800.0000 -44.71654 -42.32913 2.38741 2.39102 -41.38281 1113.34302
805.0000 -44.96114 -42.61154 2.34961 2.23551 -42.52863 946.99048
810.0000 -45.66378 -43.39309 2.27069 2.21224 -42.70004 921.23188
815.0000 -45.50497 -43.80609 1.69888 2.14081 -43.22638 916.62770
820.0000 -44.46932 -42.12997 2.33935 2.13118 -43.29734 830.00212
825.0000 -45.32213 -42.72758 2.59455 2.25306 -42.39934 964.12218
830.0000 -43.85391 -41.02550 2.82841 2.32988 -41.83330 1067.68250
835.0000 -44.84264 -42.14489 2.69775 2.39818 -41.33009 1078.58638
840.0000 -44.03260 -42.44309 1.58951 2.32043 -41.90295 1034.94276
845.0000 -44.41610 -42.09276 2.32334 2.28009 -42.20014 979.74888
850.0000 -44.67420 -41.62320 3.05100 2.33689 -41.78164 1065.79310
855.0000 -45.33139 -42.55358 2.77781 2.29505 -42.08989 1013.45034
860.0000 -44.88080 -41.91461 2.96618 2.30195 -42.03911 994.80521
865.0000 -46.00680 -43.23432 2.77249 2.23229 -42.55232 951.69369
870.0000 -44.20983 -41.53661 2.67322 2.34123 -41.74967 1060.77798
875.0000 -43.94570 -41.59174 2.35396 2.43970 -41.02414 1188.01987
880.0000 -44.63851 -42.26342 2.37509 2.30888 -41.98806 1039.15580
885.0000 -44.28235 -41.75141 2.53094 2.29692 -42.07613 993.25934
890.0000 -44.48690 -42.02909 2.45781 2.24530 -42.45652 941.05696
895.0000 -45.46251 -42.56267 2.89984 2.25913 -42.35457 1024.43794
900.0000 -45.30661 -43.15377 2.15284 2.17716 -42.95855 870.85962
905.0000 -43.98551 -41.99267 1.99284 2.26779 -42.29077 1000.70802
910.0000 -43.43680 -40.83093 2.60586 2.49077 -40.64782 1134.62241
915.0000 -44.51162 -41.47644 3.03518 2.41240 -41.22527 1123.98108
920.0000 -44.38928 -41.69734 2.69194 2.40494 -41.28028 1125.32667
925.0000 -44.34648 -41.46101 2.88547 2.36073 -41.60597 1022.87810
930.0000 -44.64156 -42.38654 2.25502 2.28361 -42.17421 990.91750
935.0000 -45.07605 -42.53760 2.53845 2.30613 -42.00830 993.10278
940.0000 -43.70820 -41.14085 2.56735 2.27938 -42.20537 1022.34916
945.0000 -43.87381 -40.75987 3.11395 2.43119 -41.08684 1105.59863
950.0000 -43.96053 -41.36810 2.59243 2.41563 -41.20145 1181.78855
955.0000 -45.11027 -42.45101 2.65925 2.26651 -42.30017 981.18978
960.0000 -45.62989 -43.10299 2.52689 2.23345 -42.54380 978.72307
965.0000 -45.96132 -43.38576 2.57556 2.11704 -43.40152 898.80265
970.0000 -43.79021 -41.34890 2.44131 2.22781 -42.58533 954.29027
975.0000 -44.58536 -41.86015 2.72521 2.38154 -41.45265 1083.38977
980.0000 -45.34545 -43.49156 1.85388 2.13210 -43.29054 826.01959
985.0000 -45.75042 -43.85339 1.89703 2.08700 -43.62284 823.22260
990.0000 -44.36575 -42.35631 2.00944 2.15323 -43.13483 860.80537
995.0000 -44.79483 -41.66606 3.12876 2.30826 -41.99259 1031.84835
1000.0000 -44.82726 -42.99618 1.83108 2.21213 -42.70092 934.91267
FREEZING PROCESS: loop number 5 T-loop= 978.00000000000000
main_MD> interactions number 5 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.00530 -6.59828 -3.92016
force_rgl> df(natom) 0.69565 1.52158 -2.65697
1005.0000 -45.43722 -42.75032 2.68690 2.20874 -42.72588 868.60958
1010.0000 -45.25578 -42.74729 2.50849 2.18077 -42.93196 902.60888
1015.0000 -44.98401 -43.33118 1.65283 2.10839 -43.46524 847.01016
1020.0000 -45.25692 -42.96783 2.28909 2.20686 -42.73972 911.15231
1025.0000 -44.27549 -41.91230 2.36319 2.26650 -42.30031 988.61987
1030.0000 -44.38441 -41.79655 2.58786 2.37092 -41.53095 1043.64424
1035.0000 -44.80785 -42.42371 2.38414 2.30644 -42.00599 1020.16805
1040.0000 -44.92877 -42.91824 2.01054 2.20644 -42.74280 890.79955
1045.0000 -45.28313 -42.77382 2.50930 2.18112 -42.92933 839.11723
1050.0000 -44.89457 -42.73350 2.16107 2.20568 -42.74844 894.74167
1055.0000 -44.89426 -41.45340 3.44086 2.27692 -42.22354 968.95722
1060.0000 -45.28288 -42.65139 2.63149 2.26430 -42.31651 970.56164
1065.0000 -45.39873 -42.32068 3.07805 2.26492 -42.31196 989.01681
1070.0000 -44.65943 -42.26202 2.39741 2.27091 -42.26780 1006.89966
1075.0000 -44.50391 -41.45705 3.04686 2.33942 -41.76299 1028.31870
1080.0000 -45.19361 -42.60686 2.58675 2.33212 -41.81676 1028.56381
1085.0000 -44.40930 -42.41960 1.98970 2.18766 -42.88119 829.46734
1090.0000 -44.59591 -42.21283 2.38309 2.24221 -42.47925 957.77152
1095.0000 -44.83180 -41.99795 2.83386 2.30987 -41.98074 1026.76472
1100.0000 -44.00095 -41.62101 2.37995 2.35772 -41.62821 1106.37649
1105.0000 -44.24326 -41.25651 2.98674 2.42905 -41.10259 1089.50602
1110.0000 -44.31393 -41.64389 2.67004 2.31535 -41.94038 994.33186
1115.0000 -44.91010 -42.84688 2.06321 2.32402 -41.87645 1038.00495
1120.0000 -45.81921 -43.58429 2.23492 2.17152 -43.00012 866.51098
1125.0000 -45.43696 -43.21295 2.22401 2.06211 -43.80623 751.36636
1130.0000 -44.77298 -42.25539 2.51759 2.29190 -42.11310 1050.85691
1135.0000 -44.26850 -41.47812 2.79038 2.45022 -40.94659 1192.60026
1140.0000 -45.13160 -42.79869 2.33291 2.32004 -41.90580 1023.33799
1145.0000 -44.72040 -42.04134 2.67906 2.18518 -42.89944 882.87045
1150.0000 -44.90848 -42.42559 2.48289 2.18970 -42.86612 938.45072
1155.0000 -44.58224 -43.08845 1.49379 2.18169 -42.92520 911.12967
1160.0000 -44.42535 -41.75716 2.66819 2.25704 -42.36995 876.59677
1165.0000 -45.14972 -42.39436 2.75536 2.30732 -41.99953 1019.01762
1170.0000 -45.12151 -43.22710 1.89441 2.18260 -42.91846 878.07634
1175.0000 -44.32684 -42.08427 2.24256 2.23123 -42.56014 909.71557
1180.0000 -45.05558 -42.24874 2.80684 2.25761 -42.36581 982.31568
1185.0000 -44.48062 -42.33899 2.14163 2.27020 -42.27303 1011.67523
1190.0000 -45.13035 -43.51200 1.61835 2.16023 -43.08330 887.98990
1195.0000 -45.50510 -43.79178 1.71332 2.08168 -43.66203 780.18534
1200.0000 -44.95698 -42.53352 2.42346 2.17592 -42.96769 852.30237
1205.0000 -45.15789 -42.47306 2.68483 2.20592 -42.74663 910.82332
1210.0000 -44.75532 -43.07050 1.68481 2.22079 -42.63709 909.35211
1215.0000 -44.68107 -41.49669 3.18438 2.30186 -42.03977 1013.84063
1220.0000 -45.03977 -42.35535 2.68442 2.36476 -41.57633 1079.56135
1225.0000 -44.82211 -42.75541 2.06670 2.33503 -41.79536 1051.83723
1230.0000 -45.69958 -43.48654 2.21304 2.13800 -43.24708 826.67709
1235.0000 -45.07580 -41.67691 3.39889 2.19842 -42.80188 873.36859
1240.0000 -44.51554 -42.40117 2.11437 2.31799 -41.92092 1027.27591
1245.0000 -43.87379 -40.73490 3.13889 2.40029 -41.31454 1156.70729
1250.0000 -45.45361 -43.07056 2.38305 2.35776 -41.62790 1044.30423
FREEZING PROCESS: loop number 6 T-loop= 953.00000000000000
main_MD> interactions number 6 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.42702 3.09381 -0.28444
force_rgl> df(natom) 0.53924 6.18924 0.08415
1255.0000 -45.33066 -42.65416 2.67649 2.20905 -42.72356 919.24782
1260.0000 -44.52963 -42.36459 2.16504 2.23635 -42.52242 957.98423
1265.0000 -45.72967 -44.05943 1.67024 2.15788 -43.10060 899.86396
1270.0000 -45.88504 -43.73224 2.15280 2.06523 -43.78324 798.67644
1275.0000 -44.80644 -42.17224 2.63421 2.16386 -43.05658 890.58650
1280.0000 -44.95762 -42.47698 2.48064 2.23442 -42.53666 964.80485
1285.0000 -45.26276 -42.52263 2.74012 2.27451 -42.24129 945.24552
1290.0000 -45.21126 -42.89025 2.32101 2.14770 -43.17562 902.64676
1295.0000 -45.41134 -42.87068 2.54066 2.17534 -42.97196 871.19224
1300.0000 -44.83503 -42.38737 2.44766 2.20997 -42.71679 866.84467
1305.0000 -44.31523 -41.12465 3.19058 2.35625 -41.63897 1061.32351
1310.0000 -45.45363 -42.80030 2.65332 2.29379 -42.09920 999.75108
1315.0000 -45.26266 -42.68313 2.57954 2.14338 -43.20742 853.69051
1320.0000 -44.15574 -41.29460 2.86114 2.27284 -42.25359 969.53713
1325.0000 -44.55591 -42.46444 2.09147 2.34870 -41.69463 1119.42398
1330.0000 -44.56375 -42.36813 2.19562 2.24979 -42.42343 949.93655
1335.0000 -43.98495 -41.55549 2.42946 2.34917 -41.69117 1130.03325
1340.0000 -43.70384 -40.44050 3.26334 2.41599 -41.19881 1124.78521
1345.0000 -44.07575 -41.52462 2.55113 2.41723 -41.18972 1116.73240
1350.0000 -43.88372 -41.09124 2.79248 2.40584 -41.27361 1074.32187
1355.0000 -45.64570 -42.69236 2.95334 2.30448 -42.02046 1025.73199
1360.0000 -43.74711 -41.80458 1.94253 2.24867 -42.43168 946.32309
1365.0000 -45.25041 -42.66890 2.58151 2.28821 -42.14030 966.39039
1370.0000 -44.64060 -41.95371 2.68689 2.23122 -42.56025 939.33374
1375.0000 -44.27188 -41.63378 2.63811 2.32445 -41.87334 1019.67018
1380.0000 -43.78510 -41.43563 2.34947 2.38349 -41.43833 1134.89444
1385.0000 -43.54644 -40.65707 2.88936 2.42605 -41.12468 1154.81657
1390.0000 -43.83697 -41.18199 2.65498 2.42953 -41.09906 1054.37620
1395.0000 -44.57131 -41.34935 3.22195 2.44953 -40.95172 1126.06776
1400.0000 -44.31048 -41.93607 2.37441 2.26035 -42.34559 996.81420
1405.0000 -44.41673 -42.04815 2.36857 2.30009 -42.05280 1083.06169
1410.0000 -44.72803 -42.43551 2.29252 2.30628 -42.00720 1086.51309
1415.0000 -44.93091 -42.87512 2.05579 2.21599 -42.67244 893.26146
1420.0000 -44.96998 -43.05800 1.91198 2.21261 -42.69732 876.55370
1425.0000 -44.27246 -41.32343 2.94903 2.30251 -42.03498 1032.52048
1430.0000 -44.91204 -42.06735 2.84469 2.38371 -41.43665 1141.99227
1435.0000 -45.77342 -43.50420 2.26922 2.17964 -42.94027 844.09799
1440.0000 -44.38071 -42.71812 1.66259 2.16879 -43.02025 801.56565
1445.0000 -45.36609 -43.28144 2.08465 2.19304 -42.84154 848.38149
1450.0000 -44.44669 -41.48954 2.95716 2.31100 -41.97242 1046.65330
1455.0000 -45.48950 -41.72733 3.76216 2.30705 -42.00153 1039.56747
1460.0000 -44.94710 -42.14214 2.80496 2.31865 -41.91607 1033.12197
1465.0000 -44.77101 -41.27730 3.49371 2.36179 -41.59818 1045.84526
1470.0000 -44.13993 -41.94946 2.19047 2.36524 -41.57279 1067.16432
1475.0000 -45.39400 -42.89527 2.49873 2.23727 -42.51569 903.89218
1480.0000 -44.66072 -42.31469 2.34603 2.23743 -42.51444 954.41429
1485.0000 -45.30929 -42.80254 2.50675 2.22284 -42.62200 973.88541
1490.0000 -44.83153 -42.59662 2.23491 2.19591 -42.82041 914.73596
1495.0000 -44.57460 -42.38575 2.18884 2.22057 -42.63873 950.09516
1500.0000 -45.09622 -42.91967 2.17655 2.22653 -42.59481 924.79755
FREEZING PROCESS: loop number 7 T-loop= 928.00000000000000
main_MD> interactions number 7 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.56048 0.14147 0.32523
force_rgl> df(natom) 2.54067 0.45068 -2.41675
1505.0000 -44.48521 -42.27488 2.21033 2.27058 -42.27023 988.68339
1510.0000 -44.31152 -42.23004 2.08148 2.27710 -42.22217 990.25192
1515.0000 -44.22967 -41.63458 2.59509 2.31194 -41.96544 1046.90340
1520.0000 -44.95850 -42.48058 2.47792 2.27487 -42.23865 974.87805
1525.0000 -45.29212 -42.30098 2.99114 2.24494 -42.45916 972.48568
1530.0000 -45.73335 -43.24696 2.48640 2.27143 -42.26398 1017.25525
1535.0000 -45.76513 -43.39150 2.37363 2.10756 -43.47136 790.78768
1540.0000 -45.44209 -42.97135 2.47074 2.12096 -43.37265 773.59854
1545.0000 -45.67462 -43.07349 2.60113 2.18210 -42.92213 909.67954
1550.0000 -44.97198 -42.46246 2.50951 2.18967 -42.86637 975.58819
1555.0000 -44.84962 -43.18996 1.65965 2.20280 -42.76961 872.95471
1560.0000 -45.41671 -43.09851 2.31820 2.15358 -43.13226 892.11028
1565.0000 -46.20787 -42.85927 3.34859 2.15218 -43.14262 877.50413
1570.0000 -45.18892 -43.66453 1.52439 2.16140 -43.07464 880.06132
1575.0000 -44.83555 -42.34798 2.48757 2.18627 -42.89146 895.78439
1580.0000 -45.19147 -43.07198 2.11949 2.18593 -42.89392 871.10596
1585.0000 -45.17236 -42.22932 2.94304 2.20660 -42.74160 897.40574
1590.0000 -44.51426 -42.58319 1.93107 2.28817 -42.14063 1024.53139
1595.0000 -45.07713 -42.74939 2.32774 2.25638 -42.37482 993.40006
1600.0000 -44.94352 -42.51881 2.42471 2.15325 -43.13475 884.57155
1605.0000 -44.80225 -42.78846 2.01379 2.15994 -43.08544 829.92142
1610.0000 -44.36408 -41.79219 2.57189 2.24992 -42.42246 1003.03365
1615.0000 -44.79730 -42.37291 2.42439 2.24424 -42.46431 874.31891
1620.0000 -44.81039 -42.76305 2.04734 2.22635 -42.59610 937.70938
1625.0000 -44.57083 -42.64127 1.92956 2.20251 -42.77179 880.94471
1630.0000 -44.97934 -42.58213 2.39721 2.18639 -42.89052 905.46592
1635.0000 -43.99193 -40.89945 3.09248 2.33468 -41.79792 1030.77125
1640.0000 -44.04685 -40.99674 3.05012 2.46831 -40.81335 1146.54871
1645.0000 -44.07350 -40.59093 3.48257 2.42470 -41.13465 1081.37540
1650.0000 -44.01743 -41.08839 2.92904 2.52972 -40.36086 1246.31608
1655.0000 -44.21084 -41.22981 2.98104 2.37258 -41.51868 1037.91356
1660.0000 -44.97192 -41.75195 3.21997 2.37783 -41.47999 1097.32336
1665.0000 -44.09696 -41.84832 2.24864 2.35566 -41.64332 1101.18366
1670.0000 -45.01606 -42.57289 2.44317 2.22957 -42.57240 901.92267
1675.0000 -45.91190 -43.53852 2.37338 2.15124 -43.14952 827.94174
1680.0000 -45.55103 -43.14819 2.40284 2.13283 -43.28515 864.28095
1685.0000 -45.50273 -43.49624 2.00649 2.18663 -42.88878 910.50542
1690.0000 -44.72599 -43.00219 1.72380 2.13919 -43.23828 781.36056
1695.0000 -44.92033 -42.16003 2.76029 2.14847 -43.16996 868.04833
1700.0000 -45.26803 -42.27275 2.99528 2.28259 -42.18175 994.61419
1705.0000 -45.37667 -43.51730 1.85937 2.14735 -43.17817 862.54770
1710.0000 -45.89698 -43.50548 2.39150 2.11564 -43.41180 796.90637
1715.0000 -44.22578 -42.34644 1.87933 2.22672 -42.59342 938.92981
1720.0000 -44.70782 -41.89839 2.80944 2.34252 -41.74020 985.67744
1725.0000 -45.21854 -42.27186 2.94668 2.27437 -42.24229 1003.23014
1730.0000 -44.40617 -41.88683 2.51934 2.26379 -42.32027 918.53013
1735.0000 -44.37491 -42.20649 2.16842 2.32879 -41.84135 1031.00787
1740.0000 -45.18166 -43.32153 1.86013 2.20391 -42.76146 897.13331
1745.0000 -45.28667 -43.00364 2.28303 2.19262 -42.84466 952.40793
1750.0000 -45.35759 -42.41436 2.94323 2.13212 -43.29041 873.73511
FREEZING PROCESS: loop number 8 T-loop= 903.00000000000000
main_MD> interactions number 8 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.44944 0.63621 0.49513
force_rgl> df(natom) -2.89880 1.72540 0.73008
1755.0000 -45.36710 -42.97326 2.39384 2.24890 -42.42996 1000.78609
1760.0000 -44.17447 -41.43519 2.73928 2.36483 -41.57582 1106.62882
1765.0000 -45.00154 -42.37008 2.63145 2.26746 -42.29324 994.46393
1770.0000 -45.71681 -42.71668 3.00013 2.19177 -42.85093 921.81193
1775.0000 -45.22710 -42.88125 2.34585 2.15717 -43.10587 891.88697
1780.0000 -44.67522 -41.96052 2.71469 2.23159 -42.55751 978.92481
1785.0000 -45.01843 -42.77858 2.23985 2.26744 -42.29335 1012.45276
1790.0000 -44.26510 -41.30220 2.96289 2.28166 -42.18857 1028.31321
1795.0000 -44.72755 -42.33747 2.39009 2.35077 -41.67936 1068.87806
1800.0000 -43.71529 -41.00068 2.71461 2.42345 -41.14383 1136.31018
1805.0000 -44.11975 -41.98460 2.13514 2.39328 -41.36618 1065.14699
1810.0000 -44.60264 -42.01331 2.58933 2.31289 -41.95850 1038.95003
1815.0000 -44.46959 -41.54511 2.92447 2.33803 -41.77325 989.67112
1820.0000 -46.33575 -42.84222 3.49353 2.28380 -42.17282 1030.11697
1825.0000 -45.02657 -42.82780 2.19877 2.19669 -42.81462 944.27467
1830.0000 -45.56235 -43.03550 2.52685 2.11013 -43.45241 827.53707
1835.0000 -46.13713 -43.89368 2.24345 2.14707 -43.18027 897.20463
1840.0000 -45.37108 -43.01712 2.35396 2.07404 -43.71838 778.25939
1845.0000 -44.83306 -42.74797 2.08509 2.19815 -42.80388 876.51465
1850.0000 -44.76904 -42.72508 2.04396 2.21427 -42.68510 879.04326
1855.0000 -44.71033 -42.69640 2.01393 2.18809 -42.87801 884.20897
1860.0000 -44.99797 -42.98392 2.01404 2.24712 -42.44305 974.75496
1865.0000 -44.24562 -41.89114 2.35448 2.32243 -41.88822 1074.41799
1870.0000 -44.63495 -42.52835 2.10660 2.28625 -42.15474 990.04210
1875.0000 -44.63427 -41.92332 2.71095 2.26715 -42.29550 1012.78310
1880.0000 -44.45694 -41.28380 3.17314 2.40325 -41.29268 1137.75292
1885.0000 -44.68085 -42.24745 2.43340 2.36199 -41.59673 1101.96582
1890.0000 -45.26304 -42.44369 2.81935 2.25392 -42.39295 980.42837
1895.0000 -44.98657 -42.50559 2.48098 2.24166 -42.48332 916.83108
1900.0000 -45.06835 -42.88649 2.18187 2.21541 -42.67669 857.24543
1905.0000 -45.55888 -43.38613 2.17275 2.18952 -42.86748 924.17317
1910.0000 -45.36293 -42.90852 2.45441 2.17023 -43.00962 886.54467
1915.0000 -46.03324 -43.60496 2.42828 2.18579 -42.89494 871.24492
1920.0000 -45.26069 -41.48236 3.77833 2.21789 -42.65843 961.50414
1925.0000 -44.23016 -41.78083 2.44933 2.31668 -41.93057 1060.30714
1930.0000 -44.82304 -42.60345 2.21959 2.27364 -42.24766 915.59714
1935.0000 -45.71546 -43.03401 2.68145 2.24229 -42.47869 941.41528
1940.0000 -45.74805 -43.74132 2.00672 2.11718 -43.40048 834.06905
1945.0000 -46.42619 -43.88605 2.54014 2.08720 -43.62138 792.53306
1950.0000 -45.62350 -43.24068 2.38282 2.15380 -43.13070 854.08787
1955.0000 -46.02239 -43.62751 2.39489 2.13197 -43.29149 880.56876
1960.0000 -44.70129 -42.51037 2.19091 2.17769 -42.95461 863.07928
1965.0000 -46.12403 -43.50295 2.62108 2.17407 -42.98130 875.57488
1970.0000 -45.36335 -43.12288 2.24047 2.17099 -43.00399 924.92473
1975.0000 -44.66515 -42.05036 2.61479 2.18190 -42.92362 910.18131
1980.0000 -44.78610 -42.18999 2.59611 2.28750 -42.14558 982.37723
1985.0000 -44.47842 -41.76566 2.71276 2.29790 -42.06896 964.13817
1990.0000 -45.24102 -42.69697 2.54405 2.25699 -42.37036 929.01973
1995.0000 -45.72399 -43.01084 2.71315 2.29420 -42.09617 1023.85502
2000.0000 -46.23819 -43.70508 2.53311 2.11184 -43.43986 863.32240
FREEZING PROCESS: loop number 9 T-loop= 878.00000000000000
main_MD> interactions number 9 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48800 1.88669 1.58923
force_rgl> df(natom) -6.86686 -1.64289 -0.14875
2005.0000 -45.61273 -43.76914 1.84358 2.12941 -43.31040 818.86352
2010.0000 -45.93921 -43.80583 2.13339 2.15458 -43.12492 839.01546
2015.0000 -44.96104 -42.65020 2.31084 2.13792 -43.24770 889.93103
2020.0000 -44.75197 -41.98642 2.76555 2.27083 -42.26839 1007.76642
2025.0000 -45.70121 -43.04115 2.66006 2.26488 -42.31224 972.72676
2030.0000 -45.63620 -43.97091 1.66529 2.07531 -43.70901 796.80932
2035.0000 -46.15120 -44.84189 1.30930 1.97874 -44.42049 666.18557
2040.0000 -45.82416 -43.85506 1.96910 1.97938 -44.41580 709.50716
2045.0000 -45.77737 -43.90457 1.87280 1.99883 -44.27250 738.75948
2050.0000 -46.18362 -44.31775 1.86587 1.98884 -44.34610 727.80995
2055.0000 -45.56757 -43.86698 1.70058 2.00134 -44.25399 744.82637
2060.0000 -45.97592 -44.09138 1.88453 2.04940 -43.89990 715.37649
2065.0000 -45.78667 -43.34622 2.44045 2.12049 -43.37613 865.10905
2070.0000 -45.57597 -43.32715 2.24882 2.13768 -43.24942 797.93873
2075.0000 -44.39041 -42.49524 1.89517 2.18089 -42.93109 906.88364
2080.0000 -44.92710 -42.73799 2.18911 2.20910 -42.72323 904.12748
2085.0000 -44.65143 -42.63338 2.01805 2.23639 -42.52217 869.26293
2090.0000 -45.15117 -43.47591 1.67527 2.20643 -42.74290 892.11094
2095.0000 -45.37172 -43.33536 2.03636 2.16261 -43.06576 892.90722
2100.0000 -44.64533 -42.72590 1.91943 2.15660 -43.11007 805.83908
2105.0000 -45.29199 -43.14804 2.14395 2.20448 -42.75722 873.33811
2110.0000 -44.87946 -43.09220 1.78727 2.16742 -43.03032 867.25073
2115.0000 -44.72156 -42.47591 2.24565 2.24356 -42.46932 942.46363
2120.0000 -43.99641 -41.62041 2.37600 2.35706 -41.63304 1056.74460
2125.0000 -45.42134 -42.41231 3.00903 2.27359 -42.24807 1005.27039
2130.0000 -45.76800 -43.65599 2.11201 2.16286 -43.06391 853.66332
2135.0000 -44.97169 -42.81330 2.15839 2.14149 -43.22136 832.72424
2140.0000 -44.66340 -42.12730 2.53609 2.22850 -42.58027 946.30688
2145.0000 -43.50995 -41.14239 2.36756 2.38483 -41.42843 1126.83534
2150.0000 -44.82514 -42.56635 2.25879 2.29445 -42.09437 1013.93788
2155.0000 -45.91440 -43.94490 1.96950 2.11904 -43.38676 895.78888
2160.0000 -45.16428 -42.60886 2.55542 2.09797 -43.54202 793.67210
2165.0000 -45.07893 -42.88695 2.19198 2.13732 -43.25207 837.40283
2170.0000 -45.12980 -43.05859 2.07121 2.17892 -42.94559 888.01066
2175.0000 -45.13019 -42.05025 3.07994 2.24939 -42.42633 934.03501
2180.0000 -45.23504 -43.71878 1.51626 2.20087 -42.78387 921.90678
2185.0000 -44.88537 -42.35171 2.53366 2.17417 -42.98055 896.45265
2190.0000 -44.66729 -42.19372 2.47357 2.30699 -42.00197 997.26264
2195.0000 -45.68367 -43.32048 2.36319 2.22449 -42.60979 929.30884
2200.0000 -45.64363 -43.10870 2.53494 2.08846 -43.61207 788.25195
2205.0000 -45.14465 -43.13164 2.01301 2.13461 -43.27208 847.21092
2210.0000 -45.51672 -43.48664 2.03008 2.17437 -42.97912 895.70191
2215.0000 -44.88697 -42.70853 2.17844 2.16349 -43.05928 897.90514
2220.0000 -45.41658 -43.62402 1.79256 2.08789 -43.61627 767.64544
2225.0000 -45.81335 -43.25683 2.55652 2.09314 -43.57764 819.47195
2230.0000 -45.57618 -42.56963 3.00655 2.15804 -43.09939 986.23994
2235.0000 -45.63189 -43.74239 1.88950 2.12465 -43.34542 878.83440
2240.0000 -46.08036 -43.06771 3.01265 2.06223 -43.80534 825.05853
2245.0000 -45.56901 -42.97313 2.59588 2.16140 -43.07470 851.99633
2250.0000 -44.21743 -42.00805 2.20938 2.26683 -42.29787 945.83954
FREEZING PROCESS: loop number 10 T-loop= 853.00000000000000
main_MD> interactions number 10 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60711 1.02088 1.78822
force_rgl> df(natom) -0.75943 -0.51280 -0.91379
2255.0000 -44.76620 -42.54680 2.21939 2.33371 -41.80509 1037.25128
2260.0000 -45.27932 -43.07845 2.20087 2.24878 -42.43088 947.18611
2265.0000 -45.78149 -43.44656 2.33493 2.11304 -43.43099 795.94820
2270.0000 -45.36751 -43.15747 2.21005 2.11067 -43.44844 804.84334
2275.0000 -46.51514 -44.21415 2.30099 2.08379 -43.64648 794.35070
2280.0000 -45.68997 -43.54174 2.14823 2.07792 -43.68972 775.83118
2285.0000 -45.34420 -43.16498 2.17922 2.16001 -43.08494 881.29126
2290.0000 -44.96940 -42.55952 2.40989 2.15808 -43.09917 864.59380
2295.0000 -45.37788 -42.79098 2.58690 2.20464 -42.75609 913.37079
2300.0000 -44.68528 -42.10573 2.57955 2.22089 -42.63636 981.59106
2305.0000 -44.62108 -41.56293 3.05816 2.27758 -42.21868 1034.39444
2310.0000 -44.34304 -41.34087 3.00217 2.39697 -41.33898 1115.90730
2315.0000 -45.15676 -42.78099 2.37578 2.24624 -42.44954 924.87888
2320.0000 -45.53606 -42.90582 2.63024 2.23775 -42.51213 976.96835
2325.0000 -45.15581 -42.71025 2.44556 2.16172 -43.07228 834.14300
2330.0000 -44.51858 -42.44276 2.07582 2.14103 -43.22473 804.22122
2335.0000 -44.60700 -42.90860 1.69840 2.23728 -42.51558 917.68765
2340.0000 -45.65056 -43.46529 2.18527 2.19150 -42.85288 873.17615
2345.0000 -44.91417 -42.72305 2.19113 2.12991 -43.30667 823.75839
2350.0000 -45.08165 -42.91224 2.16941 2.17477 -42.97618 898.07770
2355.0000 -45.94772 -43.69607 2.25165 2.14772 -43.17550 941.43668
2360.0000 -45.56897 -43.46967 2.09930 2.13254 -43.28734 829.10747
2365.0000 -45.27544 -43.60559 1.66985 2.15990 -43.08571 876.96961
2370.0000 -45.16679 -43.13476 2.03203 2.20852 -42.72748 943.99081
2375.0000 -45.69024 -43.73872 1.95152 2.06306 -43.79926 768.98183
2380.0000 -45.42908 -43.48680 1.94228 2.06075 -43.81628 774.98177
2385.0000 -45.30654 -43.13854 2.16800 2.15353 -43.13265 896.36317
2390.0000 -44.71274 -41.88529 2.82745 2.24036 -42.49288 911.31587
2395.0000 -45.92026 -43.60431 2.31596 2.17751 -42.95596 851.99132
2400.0000 -46.28420 -44.79875 1.48545 1.98572 -44.36910 650.10239
2405.0000 -45.29584 -43.17217 2.12366 2.00903 -44.19735 734.14630
2410.0000 -45.30098 -43.16920 2.13178 2.15605 -43.11407 911.22206
2415.0000 -45.40465 -42.94650 2.45814 2.19435 -42.83191 994.07800
2420.0000 -44.23301 -41.79936 2.43365 2.18616 -42.89223 888.85004
2425.0000 -44.64714 -42.36468 2.28246 2.30680 -42.00336 1031.39692
2430.0000 -45.08247 -42.71315 2.36932 2.21459 -42.68278 904.84089
2435.0000 -45.05143 -41.95712 3.09431 2.27100 -42.26716 968.55944
2440.0000 -45.06428 -43.25449 1.80979 2.28916 -42.13330 1005.14688
2445.0000 -45.37768 -43.27605 2.10164 2.11628 -43.40715 807.95560
2450.0000 -45.60933 -43.70026 1.90907 2.16564 -43.04340 890.87996
2455.0000 -45.65931 -43.41786 2.24145 2.13357 -43.27973 866.48797
2460.0000 -45.16111 -42.74739 2.41372 2.14030 -43.23015 815.75966
2465.0000 -43.06974 -41.75014 1.31959 2.26375 -42.32055 924.61556
2470.0000 -45.37552 -42.40650 2.96902 2.33572 -41.79027 1001.50153
2475.0000 -44.93810 -43.68579 1.25231 2.15175 -43.14581 811.54939
2480.0000 -45.85179 -43.36866 2.48313 2.12626 -43.33359 792.07065
2485.0000 -45.27651 -42.70731 2.56920 2.13392 -43.27716 852.68626
2490.0000 -44.68628 -42.84507 1.84121 2.24294 -42.47385 934.45040
2495.0000 -45.06915 -42.66672 2.40242 2.24590 -42.45208 948.53575
2500.0000 -45.08748 -42.07209 3.01539 2.27136 -42.26444 1003.88784
FREEZING PROCESS: loop number 11 T-loop= 828.00000000000000
main_MD> interactions number 11 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53264 2.44108 -0.43522
force_rgl> df(natom) 0.32853 -0.57553 2.36170
2505.0000 -44.20620 -41.95289 2.25331 2.27288 -42.25329 965.13837
2510.0000 -45.36413 -42.13578 3.22835 2.26568 -42.30629 996.61518
2515.0000 -45.25298 -43.52552 1.72746 2.19364 -42.83714 925.21038
2520.0000 -45.30480 -43.43819 1.86662 2.10315 -43.50386 790.80550
2525.0000 -46.32961 -44.05549 2.27411 2.05007 -43.89497 797.30543
2530.0000 -46.67901 -45.04889 1.63013 1.96553 -44.51784 671.90550
2535.0000 -46.09175 -43.91689 2.17486 1.94550 -44.66544 660.84707
2540.0000 -45.54206 -44.17108 1.37098 2.05281 -43.87474 756.24167
2545.0000 -46.03843 -43.94852 2.08990 2.06104 -43.81414 759.94507
2550.0000 -45.27213 -43.35529 1.91685 2.09263 -43.58140 840.39686
2555.0000 -46.09839 -43.54360 2.55479 2.15762 -43.10255 901.67379
2560.0000 -45.92528 -43.48257 2.44271 2.07660 -43.69948 827.03611
2565.0000 -45.40810 -43.39953 2.00857 2.13429 -43.27439 811.42704
2570.0000 -45.69018 -43.82113 1.86906 2.06989 -43.74891 815.71591
2575.0000 -46.50132 -44.57449 1.92683 1.99304 -44.31514 698.89343
2580.0000 -46.88105 -45.37515 1.50590 1.90319 -44.97721 596.64464
2585.0000 -45.10659 -43.38256 1.72403 2.02733 -44.06252 746.83261
2590.0000 -45.46189 -43.24515 2.21675 2.11252 -43.43481 790.76699
2595.0000 -46.08797 -43.41029 2.67768 2.09612 -43.55568 843.49070
2600.0000 -46.43439 -44.96945 1.46494 2.04859 -43.90590 770.11526
2605.0000 -45.48776 -43.33020 2.15755 2.02088 -44.11003 748.18104
2610.0000 -45.92934 -43.07163 2.85771 2.14605 -43.18780 863.14284
2615.0000 -44.74905 -42.26800 2.48105 2.20711 -42.73789 902.42449
2620.0000 -44.92806 -43.21672 1.71134 2.15736 -43.10445 880.12549
2625.0000 -45.36666 -43.48516 1.88151 2.13859 -43.24271 776.00192
2630.0000 -45.43073 -43.08260 2.34813 2.15114 -43.15023 854.72936
2635.0000 -44.80250 -42.79633 2.00617 2.16791 -43.02669 900.62230
2640.0000 -45.57193 -43.24033 2.33159 2.18835 -42.87612 917.73741
2645.0000 -45.88540 -43.59557 2.28982 2.13252 -43.28748 834.96819
2650.0000 -45.43897 -43.27413 2.16483 2.04951 -43.89906 741.17579
2655.0000 -45.99830 -43.97728 2.02102 2.06322 -43.79808 762.99706
2660.0000 -45.78833 -44.02257 1.76576 2.02679 -44.06646 759.51822
2665.0000 -45.54137 -43.54494 1.99644 2.06711 -43.76944 734.20454
2670.0000 -45.64380 -43.42547 2.21834 2.11339 -43.42844 807.29650
2675.0000 -44.73879 -42.10413 2.63466 2.21489 -42.68053 942.91071
2680.0000 -44.15585 -42.40322 1.75263 2.29364 -42.10035 1037.31892
2685.0000 -44.73221 -42.01925 2.71295 2.32024 -41.90431 1055.45884
2690.0000 -45.30568 -42.80995 2.49573 2.27223 -42.25809 996.19237
2695.0000 -46.35792 -43.42063 2.93729 2.21258 -42.69755 930.78878
2700.0000 -44.25492 -42.03500 2.21991 2.23333 -42.54466 901.51495
2705.0000 -45.39681 -43.44671 1.95010 2.24993 -42.42240 886.86034
2710.0000 -45.64395 -43.83606 1.80789 2.09017 -43.59948 796.87551
2715.0000 -45.91006 -43.05718 2.85289 2.10725 -43.47367 824.95842
2720.0000 -45.80841 -43.62700 2.18140 2.06736 -43.76754 760.87710
2725.0000 -46.07944 -44.10962 1.96983 2.02884 -44.05141 719.05154
2730.0000 -46.29858 -44.24061 2.05797 2.01125 -44.18097 748.96941
2735.0000 -46.13236 -44.24231 1.89005 2.00296 -44.24204 696.70778
2740.0000 -44.89329 -43.24713 1.64616 2.10234 -43.50981 774.54624
2745.0000 -45.28508 -43.37966 1.90543 2.13847 -43.24365 830.23477
2750.0000 -46.32147 -44.18858 2.13290 2.07383 -43.71991 795.54239
FREEZING PROCESS: loop number 12 T-loop= 803.00000000000000
main_MD> interactions number 12 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44054 0.07453 -1.40221
force_rgl> df(natom) -1.78443 -0.43570 0.30620
2755.0000 -44.97184 -42.79784 2.17400 2.10512 -43.48935 783.14937
2760.0000 -45.69962 -43.70593 1.99369 2.11208 -43.43808 813.83322
2765.0000 -46.20237 -43.74588 2.45649 2.06688 -43.77111 765.61372
2770.0000 -45.55213 -43.02512 2.52701 2.13739 -43.25155 807.14855
2775.0000 -45.21821 -43.16035 2.05786 2.16043 -43.08179 833.54472
2780.0000 -45.56285 -43.93812 1.62474 2.07870 -43.68403 808.57994
2785.0000 -45.64555 -43.99144 1.65411 2.02870 -44.05244 751.77417
2790.0000 -45.58453 -43.78132 1.80321 2.03730 -43.98908 764.69958
2795.0000 -46.47376 -43.83223 2.64154 2.06615 -43.77650 784.17268
2800.0000 -45.60047 -43.37360 2.22687 2.12042 -43.37664 792.63129
2805.0000 -46.32241 -44.48475 1.83766 2.06131 -43.81211 823.14304
2810.0000 -45.61914 -43.82269 1.79645 2.05472 -43.86070 785.38478
2815.0000 -45.97529 -44.19719 1.77810 2.06202 -43.80691 714.34594
2820.0000 -45.58026 -43.79566 1.78460 2.05646 -43.84790 723.00100
2825.0000 -45.77203 -43.88811 1.88393 2.13423 -43.27484 854.50403
2830.0000 -46.41096 -44.34350 2.06746 1.98775 -44.35414 661.85608
2835.0000 -46.30408 -44.42014 1.88394 1.97747 -44.42989 712.54985
2840.0000 -46.05564 -44.15979 1.89584 2.00656 -44.21557 699.20495
2845.0000 -45.51364 -42.94014 2.57350 2.09946 -43.53105 826.28713
2850.0000 -45.81887 -42.99411 2.82476 2.14904 -43.16577 891.77732
2855.0000 -45.48341 -43.03063 2.45277 2.16723 -43.03168 898.89031
2860.0000 -45.60859 -42.86246 2.74613 2.18966 -42.86641 905.98914
2865.0000 -46.04859 -43.53126 2.51733 2.17228 -42.99452 918.21421
2870.0000 -45.54911 -43.24909 2.30002 2.11230 -43.43643 833.16017
2875.0000 -45.14848 -43.14917 1.99931 2.12490 -43.34364 819.10758
2880.0000 -45.77797 -43.20393 2.57404 2.15647 -43.11101 880.51464
2885.0000 -46.45545 -44.72436 1.73109 2.11110 -43.44525 865.48689
2890.0000 -45.44060 -43.32800 2.11260 2.06822 -43.76121 759.14848
2895.0000 -45.96026 -43.36364 2.59663 2.09634 -43.55401 830.58042
2900.0000 -45.52354 -43.61055 1.91299 2.11705 -43.40147 776.69494
2905.0000 -45.92926 -44.14351 1.78575 2.04755 -43.91349 767.72202
2910.0000 -45.74099 -43.21811 2.52288 2.07607 -43.70340 857.14670
2915.0000 -44.73008 -42.71279 2.01729 2.23235 -42.55192 1021.96434
2920.0000 -46.14063 -44.24274 1.89789 2.14506 -43.19509 865.71390
2925.0000 -46.74216 -44.70289 2.03927 1.93534 -44.74032 677.03977
2930.0000 -45.88416 -43.63064 2.25353 2.06457 -43.78811 810.50401
2935.0000 -46.18544 -44.50620 1.67924 2.03433 -44.01090 738.96341
2940.0000 -45.55528 -44.08677 1.46852 2.08648 -43.62668 782.83117
2945.0000 -45.82528 -43.33293 2.49235 2.06375 -43.79414 749.20909
2950.0000 -46.38612 -44.61793 1.76820 1.98915 -44.34383 634.19995
2955.0000 -46.35270 -43.67306 2.67964 1.97464 -44.45072 665.72352
2960.0000 -45.33740 -43.09297 2.24443 2.13924 -43.23798 816.92442
2965.0000 -45.13804 -43.10371 2.03433 2.09072 -43.59543 831.05838
2970.0000 -45.64386 -44.14984 1.49402 2.07850 -43.68550 807.05464
2975.0000 -46.46023 -44.48791 1.97232 2.02448 -44.08353 766.28829
2980.0000 -45.76807 -43.62950 2.13857 2.03022 -44.04121 790.22273
2985.0000 -45.06256 -43.17778 1.88478 2.11928 -43.38498 869.45099
2990.0000 -44.91793 -42.48963 2.42830 2.21460 -42.68267 922.97777
2995.0000 -45.08673 -42.90139 2.18534 2.20009 -42.78963 932.72261
3000.0000 -45.42751 -43.33295 2.09457 2.21129 -42.70710 937.75760
FREEZING PROCESS: loop number 13 T-loop= 778.00000000000000
main_MD> interactions number 13 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67027 -0.96797 -0.42332
force_rgl> df(natom) 0.43638 -0.13720 -1.50617
3005.0000 -45.64010 -43.35701 2.28309 2.09650 -43.55289 791.29403
3010.0000 -45.75262 -44.25416 1.49846 2.07342 -43.72295 808.30653
3015.0000 -45.47832 -43.17087 2.30745 2.03620 -43.99719 733.02576
3020.0000 -45.51578 -43.05527 2.46051 2.11948 -43.38351 820.62747
3025.0000 -45.84313 -43.95654 1.88659 2.06514 -43.78388 717.90493
3030.0000 -45.96217 -43.77233 2.18984 2.06373 -43.79431 774.81838
3035.0000 -45.59927 -43.50970 2.08957 2.05360 -43.86895 736.05388
3040.0000 -46.14635 -44.36361 1.78274 2.04961 -43.89831 730.78646
3045.0000 -45.18723 -43.17191 2.01532 2.09005 -43.60040 770.77059
3050.0000 -45.28304 -43.49944 1.78360 2.09921 -43.53288 785.89310
3055.0000 -45.71886 -43.21784 2.50102 2.14999 -43.15875 839.83203
3060.0000 -45.84501 -43.74278 2.10223 2.13195 -43.29167 881.07426
3065.0000 -45.87183 -43.98972 1.88210 2.04582 -43.92625 758.85324
3070.0000 -45.70081 -43.92721 1.77360 1.99643 -44.29018 677.64416
3075.0000 -46.06144 -44.45874 1.60270 2.02008 -44.11593 739.85124
3080.0000 -45.46968 -43.64265 1.82703 2.03698 -43.99139 737.98586
3085.0000 -45.77499 -43.64352 2.13147 2.10245 -43.50898 814.63479
3090.0000 -46.03288 -44.31522 1.71766 2.07892 -43.68239 806.89796
3095.0000 -45.87020 -44.08441 1.78579 2.02979 -44.04440 760.14218
3100.0000 -45.82100 -43.98378 1.83722 2.05375 -43.86784 822.54235
3105.0000 -46.11548 -44.07205 2.04343 2.05141 -43.88507 774.81325
3110.0000 -45.56899 -43.81355 1.75544 2.09841 -43.53880 842.53774
3115.0000 -45.62966 -44.49052 1.13914 2.02622 -44.07072 706.09104
3120.0000 -46.24143 -44.21733 2.02410 2.04522 -43.93071 746.08253
3125.0000 -44.95938 -43.36208 1.59730 2.08796 -43.61580 803.54650
3130.0000 -45.47829 -43.62413 1.85415 2.13654 -43.25785 851.90671
3135.0000 -45.69040 -43.71237 1.97803 2.08355 -43.64824 775.18097
3140.0000 -45.96720 -43.81628 2.15091 2.07557 -43.70707 761.64584
3145.0000 -45.86711 -44.00870 1.85841 2.02303 -44.09421 729.55020
3150.0000 -46.24821 -44.62315 1.62506 2.02228 -44.09969 705.07090
3155.0000 -46.17246 -44.51258 1.65988 1.91690 -44.87619 583.40167
3160.0000 -45.43982 -44.18441 1.25541 1.97866 -44.42108 620.66372
3165.0000 -45.89436 -43.42093 2.47343 2.05229 -43.87862 730.70616
3170.0000 -45.62610 -43.55066 2.07544 2.08134 -43.66453 753.54464
3175.0000 -45.55495 -43.25128 2.30367 2.10308 -43.50435 913.07461
3180.0000 -45.28732 -42.96770 2.31962 2.14818 -43.17207 898.84731
3185.0000 -45.72059 -43.24784 2.47276 2.15162 -43.14675 852.69932
3190.0000 -45.16688 -43.09165 2.07523 2.14689 -43.18159 899.04066
3195.0000 -45.77458 -43.00825 2.76633 2.18541 -42.89779 849.09200
3200.0000 -45.32056 -42.90275 2.41782 2.17328 -42.98714 840.50955
3205.0000 -45.52644 -43.36282 2.16362 2.15471 -43.12397 818.11441
3210.0000 -45.45803 -42.91114 2.54689 2.16269 -43.06515 905.97176
3215.0000 -43.96895 -42.18985 1.77910 2.25304 -42.39945 872.00830
3220.0000 -45.59358 -43.54224 2.05134 2.23134 -42.55936 876.50131
3225.0000 -45.98198 -43.90260 2.07939 2.06514 -43.78394 767.09743
3230.0000 -46.20961 -43.56683 2.64278 2.12411 -43.34945 851.30107
3235.0000 -46.61207 -44.21035 2.40173 2.03480 -44.00747 779.92668
3240.0000 -46.23333 -44.17637 2.05696 1.97751 -44.42956 765.59378
3245.0000 -46.01812 -44.22519 1.79292 2.06355 -43.79565 805.80753
3250.0000 -45.59903 -44.06168 1.53735 2.06694 -43.77065 744.41335
FREEZING PROCESS: loop number 14 T-loop= 753.00000000000000
main_MD> interactions number 14 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.74689 0.33687 4.17924
force_rgl> df(natom) 1.56515 0.22863 -1.69468
3255.0000 -44.86129 -43.08209 1.77920 2.08866 -43.61064 803.86692
3260.0000 -45.79731 -43.58985 2.20746 2.16751 -43.02962 874.52302
3265.0000 -46.03960 -44.56350 1.47610 2.04350 -43.94333 754.15724
3270.0000 -46.58981 -44.96833 1.62148 1.93638 -44.73265 664.37503
3275.0000 -46.30906 -44.76445 1.54462 1.90588 -44.95736 637.16550
3280.0000 -46.51460 -44.96747 1.54713 1.94648 -44.65822 700.99968
3285.0000 -45.83476 -44.33778 1.49698 1.95921 -44.56442 667.63902
3290.0000 -46.46283 -44.90472 1.55811 1.90336 -44.97591 548.62099
3295.0000 -46.72381 -44.51988 2.20393 1.95108 -44.62434 615.45704
3300.0000 -45.43911 -43.55291 1.88621 2.00969 -44.19246 670.66473
3305.0000 -45.88490 -43.95146 1.93344 2.09852 -43.53796 783.65465
3310.0000 -45.77710 -43.40508 2.37203 2.11480 -43.41800 776.99467
3315.0000 -46.05129 -43.90556 2.14573 2.09708 -43.54855 794.82155
3320.0000 -45.55666 -43.51495 2.04171 2.01157 -44.17862 684.70231
3325.0000 -46.53480 -44.55102 1.98378 2.04901 -43.90278 743.24446
3330.0000 -46.04110 -44.44962 1.59148 1.94716 -44.65322 695.82791
3335.0000 -46.63433 -44.97985 1.65448 1.95145 -44.62160 691.17405
3340.0000 -45.99103 -43.73661 2.25442 2.00608 -44.21904 719.26857
3345.0000 -46.27872 -44.30300 1.97572 2.06140 -43.81146 783.14597
3350.0000 -45.84679 -44.74463 1.10216 1.96139 -44.54835 715.65371
3355.0000 -45.84241 -44.36748 1.47493 1.95085 -44.62601 646.52750
3360.0000 -46.14433 -43.33062 2.81371 2.10913 -43.45983 853.28640
3365.0000 -45.43436 -43.69338 1.74097 2.05708 -43.84329 734.56801
3370.0000 -45.28938 -43.51546 1.77392 2.09552 -43.56009 743.95795
3375.0000 -45.50400 -43.50910 1.99490 2.11240 -43.43567 806.77964
3380.0000 -45.35565 -42.95336 2.40229 2.15514 -43.12077 853.61710
3385.0000 -45.09284 -43.35329 1.73954 2.13934 -43.23718 837.08396
3390.0000 -46.07471 -44.18776 1.88695 2.06917 -43.75424 803.63214
3395.0000 -46.01500 -44.66517 1.34982 1.95737 -44.57797 667.00209
3400.0000 -46.16011 -44.32893 1.83118 1.92130 -44.84372 609.84509
3405.0000 -46.18488 -44.15741 2.02747 1.98526 -44.37245 719.76987
3410.0000 -46.27598 -44.89627 1.37971 1.95900 -44.56595 659.28988
3415.0000 -46.29799 -44.10504 2.19295 2.05179 -43.88231 773.56448
3420.0000 -46.41823 -44.24538 2.17284 1.99220 -44.32137 753.67847
3425.0000 -47.04719 -44.94208 2.10511 1.91597 -44.88303 674.46189
3430.0000 -46.59346 -44.54766 2.04580 1.99692 -44.28656 791.82829
3435.0000 -45.83320 -44.20234 1.63086 1.97436 -44.45279 712.57621
3440.0000 -46.08875 -44.04499 2.04377 1.99091 -44.33083 754.52480
3445.0000 -45.76832 -43.24461 2.52371 2.08824 -43.61368 854.86071
3450.0000 -45.64434 -43.22003 2.42432 2.14380 -43.20438 901.99605
3455.0000 -45.92558 -43.62321 2.30238 2.14111 -43.22415 828.25908
3460.0000 -45.86679 -43.51870 2.34810 2.11470 -43.41875 819.62430
3465.0000 -45.87372 -42.99896 2.87475 2.11377 -43.42560 793.58673
3470.0000 -45.19628 -43.69599 1.50029 2.13726 -43.25250 816.11624
3475.0000 -46.47973 -44.44918 2.03055 2.00872 -44.19963 681.18103
3480.0000 -45.91248 -43.06924 2.84324 2.10047 -43.52358 780.89416
3485.0000 -45.63583 -43.38657 2.24926 2.14664 -43.18339 859.20519
3490.0000 -45.63556 -43.72478 1.91078 2.08005 -43.67408 747.24361
3495.0000 -46.34148 -44.58640 1.75508 2.03346 -44.01735 715.48966
3500.0000 -46.11880 -43.61485 2.50395 2.00442 -44.23128 720.71390
FREEZING PROCESS: loop number 15 T-loop= 728.00000000000000
main_MD> interactions number 15 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08797 -2.63296 -0.11312
force_rgl> df(natom) 3.39868 1.92696 0.61625
3505.0000 -45.09845 -43.56675 1.53170 2.10695 -43.47588 781.62498
3510.0000 -46.03660 -44.42780 1.60880 1.99655 -44.28926 667.97962
3515.0000 -46.19901 -44.07331 2.12570 2.00893 -44.19804 717.61623
3520.0000 -46.17552 -44.53280 1.64272 2.03825 -43.98203 750.89467
3525.0000 -45.84577 -44.12730 1.71847 1.98999 -44.33762 667.19732
3530.0000 -46.35997 -44.26907 2.09089 1.99018 -44.33621 677.29870
3535.0000 -45.66075 -43.53143 2.12932 2.06850 -43.75917 828.22423
3540.0000 -45.85944 -43.45602 2.40342 2.14231 -43.21532 863.21841
3545.0000 -45.29823 -43.20838 2.08986 2.15191 -43.14458 825.65398
3550.0000 -45.66300 -43.52774 2.13527 2.09566 -43.55904 771.01033
3555.0000 -46.21514 -44.16703 2.04811 2.08377 -43.64668 777.04054
3560.0000 -45.35070 -43.78264 1.56805 2.04251 -43.95065 778.72290
3565.0000 -45.72387 -43.30674 2.41713 2.14167 -43.22007 880.11058
3570.0000 -46.20280 -43.46906 2.73375 2.10249 -43.50871 764.21113
3575.0000 -45.59692 -43.67916 1.91776 2.11203 -43.43847 771.57982
3580.0000 -46.03457 -44.36799 1.66658 2.05457 -43.86180 729.74099
3585.0000 -46.47020 -44.50907 1.96113 2.03592 -43.99922 740.05052
3590.0000 -45.72447 -44.19414 1.53033 2.00951 -44.19380 690.08220
3595.0000 -45.72669 -43.92239 1.80430 2.04969 -43.89776 745.87038
3600.0000 -45.71015 -43.69682 2.01333 2.04447 -43.93620 794.68598
3605.0000 -46.29729 -44.35942 1.93787 2.09883 -43.53565 768.06498
3610.0000 -45.50184 -43.85963 1.64221 2.04327 -43.94502 741.88771
3615.0000 -45.65481 -43.38184 2.27297 2.12790 -43.32151 868.03664
3620.0000 -46.37436 -44.44093 1.93343 2.08082 -43.66835 815.54830
3625.0000 -46.15829 -44.12020 2.03809 1.99321 -44.31392 640.01864
3630.0000 -45.73857 -43.76024 1.97834 2.05267 -43.87582 763.96807
3635.0000 -44.69915 -42.66083 2.03831 2.11675 -43.40362 794.63698
3640.0000 -46.13502 -43.90271 2.23231 2.14343 -43.20709 839.70935
3645.0000 -45.84713 -43.97006 1.87707 2.06089 -43.81524 782.13480
3650.0000 -45.79245 -43.96478 1.82767 2.04506 -43.93190 744.55205
3655.0000 -46.10813 -44.34324 1.76489 2.00168 -44.25149 692.60834
3660.0000 -46.19801 -44.57503 1.62298 1.99469 -44.30298 713.65267
3665.0000 -46.14380 -44.30694 1.83685 1.98027 -44.40926 655.77548
3670.0000 -46.05575 -44.40393 1.65181 1.98297 -44.38932 654.47146
3675.0000 -46.14836 -44.34110 1.80726 1.92306 -44.83080 667.16964
3680.0000 -46.30924 -44.85014 1.45910 1.97072 -44.47965 700.97744
3685.0000 -46.03300 -44.44057 1.59243 1.97963 -44.41395 708.80959
3690.0000 -46.24078 -44.82352 1.41726 1.97551 -44.44432 631.83678
3695.0000 -46.67849 -44.61749 2.06101 1.94849 -44.64341 692.30068
3700.0000 -46.72103 -44.70552 2.01551 1.94942 -44.63658 718.97715
3705.0000 -46.53618 -44.55848 1.97770 1.98603 -44.36681 738.18267
3710.0000 -46.24221 -44.56370 1.67850 1.94021 -44.70444 669.31401
3715.0000 -46.68262 -44.37873 2.30389 1.96239 -44.54096 717.64351
3720.0000 -46.14872 -43.93884 2.20988 1.99714 -44.28495 739.28256
3725.0000 -46.01270 -44.07388 1.93882 2.00313 -44.24083 733.98352
3730.0000 -46.12743 -44.48416 1.64327 2.01517 -44.15209 704.49757
3735.0000 -44.93384 -43.57422 1.35962 2.01250 -44.17174 670.76477
3740.0000 -45.46376 -43.92801 1.53574 2.03222 -44.02646 705.71345
3745.0000 -45.28605 -43.60132 1.68473 2.03526 -44.00407 752.91388
3750.0000 -45.55410 -43.55635 1.99775 2.07372 -43.72071 697.86464
FREEZING PROCESS: loop number 16 T-loop= 703.00000000000000
main_MD> interactions number 16 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44531 -0.88211 0.89675
force_rgl> df(natom) 4.09574 3.31365 -4.26712
3755.0000 -45.30182 -43.46844 1.83338 2.12254 -43.36099 821.83708
3760.0000 -46.03303 -44.13017 1.90286 2.02642 -44.06919 706.55348
3765.0000 -47.01885 -44.79063 2.22822 1.94769 -44.64928 683.13969
3770.0000 -46.36787 -44.67245 1.69542 1.94460 -44.67207 665.17956
3775.0000 -46.78811 -45.22170 1.56641 1.93831 -44.71839 679.73826
3780.0000 -45.85425 -44.42942 1.42483 1.95261 -44.61305 651.47625
3785.0000 -45.70823 -43.88352 1.82471 2.01406 -44.16028 732.32854
3790.0000 -45.72361 -44.18931 1.53429 2.03281 -44.02214 757.66991
3795.0000 -46.37205 -44.27441 2.09764 1.99928 -44.26918 690.98228
3800.0000 -46.30360 -44.23625 2.06735 1.98343 -44.38600 679.58622
3805.0000 -46.44320 -44.24654 2.19666 2.01694 -44.13905 692.51149
3810.0000 -45.23767 -43.61124 1.62643 2.03889 -43.97736 736.28650
3815.0000 -45.98843 -44.55225 1.43618 2.00907 -44.19703 672.92926
3820.0000 -46.35365 -44.24142 2.11222 1.95772 -44.57542 625.00315
3825.0000 -46.19216 -44.56669 1.62548 1.98642 -44.36390 661.40558
3830.0000 -46.15807 -44.27989 1.87818 1.96278 -44.53810 632.61144
3835.0000 -46.04090 -44.52686 1.51403 1.97943 -44.41542 629.63465
3840.0000 -46.02539 -44.22699 1.79840 1.98442 -44.37867 690.08644
3845.0000 -46.12720 -43.96817 2.15904 2.06983 -43.74935 848.95501
3850.0000 -46.37353 -44.75905 1.61449 2.01082 -44.18412 713.01590
3855.0000 -46.28177 -44.73023 1.55154 1.94625 -44.65993 677.54101
3860.0000 -45.89823 -43.83394 2.06429 1.98782 -44.35364 673.13058
3865.0000 -46.42977 -44.96829 1.46148 1.95844 -44.57009 653.22536
3870.0000 -46.28219 -44.67409 1.60810 1.91349 -44.90127 581.33197
3875.0000 -45.75475 -44.13185 1.62290 1.94289 -44.68463 606.35711
3880.0000 -46.58124 -44.18327 2.39797 1.95538 -44.59262 595.76604
3885.0000 -46.20664 -44.91363 1.29300 1.96475 -44.52361 636.27102
3890.0000 -46.39441 -45.26264 1.13177 1.87848 -45.15928 535.46073
3895.0000 -47.13435 -45.75171 1.38264 1.84061 -45.43825 547.04808
3900.0000 -47.34393 -45.25787 2.08606 1.88652 -45.10000 619.60546
3905.0000 -46.25217 -44.66674 1.58542 1.88758 -45.09219 607.83164
3910.0000 -46.99235 -45.26699 1.72536 1.86415 -45.26479 579.61235
3915.0000 -46.29134 -45.14837 1.14298 1.88966 -45.07683 600.80781
3920.0000 -46.43746 -44.50236 1.93511 1.94514 -44.66807 678.17470
3925.0000 -46.04570 -44.59569 1.45001 1.95033 -44.62984 622.91676
3930.0000 -46.52537 -45.44048 1.08490 1.89486 -45.03853 576.33852
3935.0000 -46.17934 -44.70794 1.47140 1.88987 -45.07528 559.60714
3940.0000 -45.93527 -44.17364 1.76163 1.94506 -44.66871 650.64345
3945.0000 -46.66772 -44.69469 1.97303 2.00441 -44.23141 750.14460
3950.0000 -46.94201 -45.16597 1.77604 1.92485 -44.81761 675.34898
3955.0000 -46.55583 -44.75394 1.80190 1.88607 -45.10333 607.38363
3960.0000 -46.22301 -44.95507 1.26794 1.89967 -45.00312 599.97363
3965.0000 -46.74536 -45.17993 1.56544 1.89444 -45.04166 562.51818
3970.0000 -45.90002 -44.36246 1.53756 1.94226 -44.68933 639.68131
3975.0000 -46.40812 -44.72475 1.68337 1.94972 -44.63433 660.44173
3980.0000 -46.65074 -44.97791 1.67283 1.91842 -44.86496 650.19309
3985.0000 -45.83585 -44.21219 1.62366 1.98041 -44.40822 722.88151
3990.0000 -45.89071 -44.48121 1.40950 2.01125 -44.18102 700.68938
3995.0000 -46.52662 -45.17672 1.34990 1.90763 -44.94445 577.04398
4000.0000 -46.69403 -45.14763 1.54640 1.85470 -45.33449 573.69742
FREEZING PROCESS: loop number 17 T-loop= 678.00000000000000
main_MD> interactions number 17 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16136 -4.60142 0.15184
force_rgl> df(natom) -1.33789 -2.45445 -0.64806
4005.0000 -46.65225 -45.52176 1.13049 1.85881 -45.30417 565.04003
4010.0000 -47.21110 -45.94389 1.26721 1.76569 -45.99031 462.59384
4015.0000 -46.63523 -45.04821 1.58702 1.85066 -45.36421 557.28139
4020.0000 -46.77510 -45.48177 1.29333 1.95027 -44.63026 699.48772
4025.0000 -46.89491 -45.27378 1.62113 1.89086 -45.06801 560.95063
4030.0000 -46.25757 -43.93375 2.32382 1.98238 -44.39369 664.31102
4035.0000 -46.40983 -44.40205 2.00778 2.00574 -44.22156 732.14710
4040.0000 -46.29096 -44.92917 1.36178 1.94783 -44.64830 706.91645
4045.0000 -47.07093 -45.07831 1.99263 1.87524 -45.18309 612.75731
4050.0000 -46.26221 -45.03744 1.22477 1.91551 -44.88642 640.57324
4055.0000 -46.67559 -45.20676 1.46882 1.92323 -44.82953 657.39040
4060.0000 -46.79359 -44.76452 2.02907 1.87652 -45.17369 613.39068
4065.0000 -46.53735 -45.38676 1.15059 1.93093 -44.77279 655.45986
4070.0000 -46.31996 -45.24165 1.07831 1.86756 -45.23973 564.07939
4075.0000 -45.37283 -43.59482 1.77800 1.98471 -44.37650 671.91181
4080.0000 -46.58953 -44.23543 2.35410 2.07431 -43.71636 774.30869
4085.0000 -46.25655 -44.18549 2.07107 1.99969 -44.26613 733.57311
4090.0000 -46.69865 -44.64525 2.05340 1.99261 -44.31832 791.34084
4095.0000 -47.06067 -45.53000 1.53068 1.95603 -44.58786 739.85516
4100.0000 -46.28507 -44.86484 1.42024 1.85404 -45.33929 561.55854
4105.0000 -46.65658 -44.37620 2.28038 1.92368 -44.82623 652.83665
4110.0000 -45.62926 -43.76282 1.86644 2.01081 -44.18424 781.32950
4115.0000 -46.20531 -43.91735 2.28795 2.03941 -43.97353 746.41009
4120.0000 -45.78428 -44.26994 1.51434 2.02987 -44.04380 713.67100
4125.0000 -45.83357 -43.85225 1.98132 2.01459 -44.15637 717.47511
4130.0000 -45.83255 -44.15192 1.68063 2.01669 -44.14094 728.82391
4135.0000 -45.28713 -43.90353 1.38360 2.04556 -43.92821 745.64540
4140.0000 -45.73734 -44.14095 1.59639 2.04487 -43.93328 808.31034
4145.0000 -46.39663 -44.31574 2.08089 1.95890 -44.56670 647.47151
4150.0000 -46.07850 -45.01284 1.06566 1.95391 -44.60346 672.73401
4155.0000 -46.01994 -44.15543 1.86451 1.91461 -44.89305 610.40473
4160.0000 -47.13968 -45.87625 1.26343 1.92061 -44.84886 636.48124
4165.0000 -47.25926 -45.85738 1.40187 1.85514 -45.33124 581.15231
4170.0000 -46.29310 -44.42535 1.86776 1.90556 -44.95974 613.90010
4175.0000 -46.03959 -44.11568 1.92391 1.98678 -44.36129 755.88044
4180.0000 -46.97600 -45.67891 1.29709 1.86167 -45.28312 584.54255
4185.0000 -46.35256 -44.31342 2.03915 1.85967 -45.29783 580.15516
4190.0000 -45.94153 -44.75003 1.19150 1.92072 -44.84802 619.23490
4195.0000 -45.24005 -43.44488 1.79517 1.99460 -44.30368 679.87510
4200.0000 -45.91185 -43.63219 2.27966 2.09050 -43.59703 756.98194
4205.0000 -46.22239 -44.44423 1.77817 1.99338 -44.31266 663.39874
4210.0000 -46.31085 -45.05294 1.25791 1.93859 -44.71635 599.39891
4215.0000 -46.75586 -45.37478 1.38108 1.94806 -44.64657 620.73380
4220.0000 -46.41575 -44.80188 1.61386 1.89892 -45.00866 620.91681
4225.0000 -46.72014 -44.80784 1.91230 1.91688 -44.87629 629.13396
4230.0000 -46.41220 -44.71032 1.70187 1.92326 -44.82927 661.00838
4235.0000 -46.39297 -44.64577 1.74720 1.96095 -44.55158 718.18790
4240.0000 -46.08279 -44.88478 1.19801 1.92899 -44.78707 668.56576
4245.0000 -45.73467 -44.34161 1.39306 1.97545 -44.44473 677.55459
4250.0000 -46.19251 -44.81296 1.37955 1.96215 -44.54272 621.02790
FREEZING PROCESS: loop number 18 T-loop= 653.00000000000000
main_MD> interactions number 18 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79149 0.65607 -2.28328
force_rgl> df(natom) 0.92945 -2.36824 2.40970
4255.0000 -46.34001 -45.12482 1.21519 1.91573 -44.88481 656.07970
4260.0000 -46.44297 -44.49558 1.94740 1.96225 -44.54204 724.56001
4265.0000 -46.34011 -44.33929 2.00081 1.99261 -44.31833 723.75507
4270.0000 -46.14336 -44.29647 1.84689 2.00291 -44.24245 751.64894
4275.0000 -46.08215 -43.72605 2.35609 2.01154 -44.17888 773.07902
4280.0000 -46.30990 -44.78073 1.52917 2.01753 -44.13469 711.75029
4285.0000 -45.86581 -44.39259 1.47322 1.94174 -44.69314 645.20663
4290.0000 -46.35636 -44.78536 1.57099 1.96782 -44.50098 637.36383
4295.0000 -46.55397 -44.91972 1.63426 1.93003 -44.77943 625.78176
4300.0000 -46.50566 -44.87532 1.63034 1.93376 -44.75193 634.00837
4305.0000 -46.24815 -44.76437 1.48378 1.88984 -45.07552 607.94064
4310.0000 -46.27467 -44.74065 1.53401 1.89651 -45.02638 616.36309
4315.0000 -46.69737 -44.97803 1.71935 1.90243 -44.98280 604.13552
4320.0000 -46.15087 -44.68141 1.46946 1.93323 -44.75581 672.29547
4325.0000 -46.51367 -44.54030 1.97337 1.96399 -44.52923 736.79981
4330.0000 -45.82663 -44.44555 1.38108 1.97268 -44.46514 654.36763
4335.0000 -44.97584 -42.71415 2.26169 2.10476 -43.49199 803.96799
4340.0000 -45.70986 -43.74107 1.96879 2.14708 -43.18017 835.93350
4345.0000 -45.57436 -43.98581 1.58854 2.10071 -43.52180 774.23020
4350.0000 -46.22430 -44.58542 1.63888 1.98274 -44.39105 641.74938
4355.0000 -46.46292 -45.02719 1.43573 1.93834 -44.71816 612.13166
4360.0000 -46.86249 -44.98978 1.87271 1.87332 -45.19724 597.87221
4365.0000 -46.87269 -45.47532 1.39737 1.88900 -45.08171 604.88078
4370.0000 -46.22614 -44.46632 1.75981 1.90321 -44.97702 604.68422
4375.0000 -46.19906 -45.08986 1.10920 1.93691 -44.72870 689.31534
4380.0000 -46.43909 -44.64301 1.79608 1.93383 -44.75143 597.74980
4385.0000 -46.27609 -44.33384 1.94226 1.97305 -44.46243 657.12450
4390.0000 -45.94558 -44.14431 1.80127 1.98075 -44.40569 673.76287
4395.0000 -45.83785 -44.05775 1.78009 2.01326 -44.16616 687.12439
4400.0000 -46.68652 -44.76446 1.92206 1.97169 -44.47248 672.83789
4405.0000 -46.37484 -45.14549 1.22935 1.92259 -44.83422 612.79302
4410.0000 -46.46374 -44.75244 1.71130 1.90506 -44.96337 597.34589
4415.0000 -46.17680 -44.48066 1.69614 1.93220 -44.76342 619.53769
4420.0000 -45.63799 -43.77707 1.86092 1.99983 -44.26514 677.66364
4425.0000 -46.72695 -44.70937 2.01758 2.02799 -44.05764 716.27013
4430.0000 -46.48880 -45.05692 1.43188 1.92522 -44.81489 641.74571
4435.0000 -46.17637 -44.58805 1.58832 1.89896 -45.00831 630.05693
4440.0000 -46.95338 -45.97051 0.98287 1.87944 -45.15219 598.36195
4445.0000 -46.81881 -45.16091 1.65790 1.80235 -45.72016 488.92869
4450.0000 -46.60900 -45.43419 1.17480 1.84155 -45.43138 552.83421
4455.0000 -46.70028 -45.28463 1.41565 1.85130 -45.35954 561.60872
4460.0000 -46.67331 -45.21550 1.45782 1.89626 -45.02823 608.24155
4465.0000 -46.89061 -45.60859 1.28202 1.83796 -45.45779 542.29448
4470.0000 -46.44158 -44.97430 1.46728 1.85252 -45.35052 559.52662
4475.0000 -46.55685 -44.73256 1.82429 1.88971 -45.07647 625.22334
4480.0000 -46.57968 -44.43034 2.14934 1.92195 -44.83896 653.34879
4485.0000 -45.96746 -44.50792 1.45954 1.97747 -44.42985 663.37799
4490.0000 -46.64875 -44.75758 1.89117 1.97534 -44.44557 718.56875
4495.0000 -46.28725 -44.50447 1.78277 1.96141 -44.54818 628.82949
4500.0000 -46.44315 -44.57286 1.87029 1.95686 -44.58175 656.12219
FREEZING PROCESS: loop number 19 T-loop= 628.00000000000000
main_MD> interactions number 19 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25631 2.94634 0.39115
force_rgl> df(natom) 1.99244 4.68134 -0.92957
4505.0000 -45.89849 -44.26243 1.63606 1.97049 -44.48132 692.92347
4510.0000 -45.63731 -44.42943 1.20788 1.95663 -44.58344 632.74489
4515.0000 -45.83285 -43.75472 2.07813 2.02997 -44.04308 674.60548
4520.0000 -46.13687 -44.37633 1.76053 2.03764 -43.98654 698.68333
4525.0000 -46.28759 -45.19390 1.09369 1.90333 -44.97618 611.10028
4530.0000 -46.86287 -44.98782 1.87504 1.89150 -45.06334 640.55639
4535.0000 -46.98563 -45.20495 1.78069 1.86182 -45.28196 602.85449
4540.0000 -47.31941 -45.89750 1.42191 1.81348 -45.63820 540.10136
4545.0000 -46.26388 -44.36597 1.89791 1.88079 -45.14220 585.50915
4550.0000 -46.17146 -44.21580 1.95567 1.98535 -44.37178 674.75551
4555.0000 -46.43905 -44.09460 2.34445 1.99718 -44.28466 703.47546
4560.0000 -47.05494 -45.16865 1.88629 1.93669 -44.73033 691.22097
4565.0000 -46.81825 -45.30409 1.51416 1.88327 -45.12393 585.53560
4570.0000 -46.48944 -44.66361 1.82583 1.86541 -45.25554 569.51296
4575.0000 -46.14969 -44.38153 1.76815 1.96234 -44.54138 700.81020
4580.0000 -46.73080 -45.52671 1.20409 1.92204 -44.83831 631.53969
4585.0000 -47.00048 -45.60203 1.39845 1.83833 -45.45508 565.99721
4590.0000 -47.17314 -46.00018 1.17296 1.82070 -45.58500 567.87834
4595.0000 -46.79234 -45.42793 1.36441 1.80460 -45.70357 505.36120
4600.0000 -46.37350 -45.02752 1.34598 1.81658 -45.61535 517.95698
4605.0000 -46.63457 -44.83359 1.80098 1.88867 -45.08415 628.94760
4610.0000 -46.83351 -45.16557 1.66794 1.91715 -44.87431 638.51985
4615.0000 -45.90605 -44.54121 1.36484 1.93345 -44.75419 676.11841
4620.0000 -46.83185 -44.77920 2.05265 1.94073 -44.70056 661.99243
4625.0000 -46.76576 -44.47455 2.29121 1.91315 -44.90378 650.76925
4630.0000 -46.18193 -44.42260 1.75932 1.97120 -44.47610 653.02113
4635.0000 -46.26725 -44.67516 1.59209 1.97095 -44.47792 646.40789
4640.0000 -46.03521 -44.43430 1.60091 1.94523 -44.66741 612.47846
4645.0000 -46.83432 -44.89955 1.93477 1.95994 -44.55907 676.77109
4650.0000 -46.77536 -45.02709 1.74827 1.92832 -44.79202 660.39288
4655.0000 -46.71519 -45.06872 1.64647 1.90870 -44.93661 645.73857
4660.0000 -46.30854 -45.13272 1.17582 1.89519 -45.03612 621.48339
4665.0000 -45.46672 -43.54639 1.92033 1.95699 -44.58079 637.61168
4670.0000 -45.90143 -43.17207 2.72936 2.09422 -43.56967 804.67771
4675.0000 -46.03639 -43.83780 2.19859 2.10604 -43.48259 823.02866
4680.0000 -45.66947 -43.90201 1.76746 2.05446 -43.86258 783.45530
4685.0000 -45.67013 -44.05317 1.61696 2.05231 -43.87849 723.62681
4690.0000 -46.68481 -44.65473 2.03008 1.98952 -44.34108 729.76588
4695.0000 -46.64231 -44.82473 1.81757 1.93736 -44.72539 689.81268
4700.0000 -47.10147 -45.03448 2.06699 1.91609 -44.88215 649.55876
4705.0000 -46.37916 -44.67024 1.70892 1.85109 -45.36103 596.80510
4710.0000 -46.56413 -45.11101 1.45312 1.90609 -44.95583 613.18705
4715.0000 -46.59372 -44.27770 2.31602 1.97735 -44.43078 706.32058
4720.0000 -45.93468 -44.07714 1.85754 1.99918 -44.26990 700.69829
4725.0000 -46.12904 -44.48630 1.64273 2.05052 -43.89162 760.91615
4730.0000 -46.07576 -44.38024 1.69552 1.97377 -44.45716 703.34028
4735.0000 -46.15616 -44.95355 1.20261 1.97848 -44.42242 730.71007
4740.0000 -46.85434 -45.05806 1.79628 1.88927 -45.07976 609.01295
4745.0000 -46.43368 -45.17225 1.26143 1.89815 -45.01428 632.95459
4750.0000 -46.68005 -44.86593 1.81412 1.92351 -44.82743 628.78752
FREEZING PROCESS: loop number 20 T-loop= 603.00000000000000
main_MD> interactions number 20 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33754 -0.74088 -0.80195
force_rgl> df(natom) 0.67233 -0.75363 -0.64315
4755.0000 -46.11138 -44.89566 1.21572 1.93048 -44.77613 650.64843
4760.0000 -47.14443 -45.58037 1.56406 1.82626 -45.54402 539.68629
4765.0000 -47.14873 -45.91615 1.23258 1.82068 -45.58511 535.44822
4770.0000 -47.01321 -45.76213 1.25108 1.74918 -46.11192 429.50860
4775.0000 -46.95590 -45.30455 1.65136 1.82246 -45.57197 526.30218
4780.0000 -46.10927 -45.17565 0.93362 1.86872 -45.23117 588.59878
4785.0000 -47.29494 -45.39645 1.89849 1.88019 -45.14661 578.12912
4790.0000 -46.94666 -46.04864 0.89802 1.80640 -45.69034 522.31730
4795.0000 -46.71159 -45.63735 1.07424 1.76697 -45.98086 446.00008
4800.0000 -46.72866 -45.06334 1.66532 1.87361 -45.19515 591.55527
4805.0000 -46.24160 -44.12944 2.11216 1.94084 -44.69978 687.69165
4810.0000 -46.66006 -45.11751 1.54255 1.94225 -44.68939 648.14389
4815.0000 -46.13522 -44.52514 1.61008 1.92358 -44.82692 640.90351
4820.0000 -45.94429 -44.38264 1.56165 1.95905 -44.56563 657.94291
4825.0000 -46.96993 -44.97194 1.99798 1.94760 -44.64992 622.06917
4830.0000 -46.71253 -44.98709 1.72544 1.91738 -44.87259 639.46798
4835.0000 -45.99770 -44.54611 1.45160 1.95305 -44.60983 660.08569
4840.0000 -46.01112 -44.64698 1.36415 1.94398 -44.67666 604.64940
4845.0000 -46.02112 -44.32172 1.69940 1.96144 -44.54800 624.06772
4850.0000 -46.70680 -44.52064 2.18616 1.96924 -44.49051 678.81011
4855.0000 -46.50182 -44.47451 2.02730 1.97473 -44.45008 741.87179
4860.0000 -46.66831 -44.89752 1.77080 1.91955 -44.85660 650.35823
4865.0000 -46.45077 -44.90733 1.54343 1.91051 -44.92326 640.17846
4870.0000 -46.92511 -44.74237 2.18274 1.90557 -44.95963 645.70672
4875.0000 -47.06812 -45.74751 1.32061 1.87714 -45.16913 576.19000
4880.0000 -46.59039 -45.08354 1.50685 1.82776 -45.53292 541.23367
4885.0000 -46.84571 -45.48379 1.36193 1.86010 -45.29466 578.68028
4890.0000 -46.68974 -45.45854 1.23120 1.82311 -45.56718 540.23592
4895.0000 -46.63754 -44.88642 1.75111 1.90827 -44.93973 642.24753
4900.0000 -46.13553 -44.90226 1.23326 1.92378 -44.82550 663.11191
4905.0000 -46.25941 -44.74186 1.51755 1.93650 -44.73173 603.13752
4910.0000 -46.43127 -45.16187 1.26939 1.83576 -45.47398 540.08799
4915.0000 -47.02699 -45.71002 1.31697 1.86682 -45.24512 574.61377
4920.0000 -46.71150 -45.51904 1.19246 1.82143 -45.57956 542.99046
4925.0000 -45.94890 -44.41778 1.53112 1.87537 -45.18212 583.25715
4930.0000 -45.95325 -44.54994 1.40331 1.96785 -44.50072 686.13536
4935.0000 -46.88484 -44.83040 2.05444 1.94404 -44.67622 658.09155
4940.0000 -46.66696 -45.18441 1.48255 1.85410 -45.33888 582.00996
4945.0000 -46.52450 -45.09018 1.43432 1.82243 -45.57221 521.26597
4950.0000 -46.71905 -45.19001 1.52903 1.84429 -45.41115 530.98082
4955.0000 -47.12775 -45.18287 1.94487 1.86818 -45.23516 599.29641
4960.0000 -46.77983 -45.45874 1.32109 1.86985 -45.22279 591.97694
4965.0000 -46.60381 -45.54741 1.05639 1.84576 -45.40035 546.84994
4970.0000 -46.66371 -45.44733 1.21638 1.86432 -45.26356 583.28445
4975.0000 -47.29538 -45.67513 1.62025 1.84252 -45.42423 567.01470
4980.0000 -46.82649 -45.50076 1.32573 1.80591 -45.69397 531.86292
4985.0000 -46.79090 -45.08661 1.70429 1.85984 -45.29658 593.75359
4990.0000 -46.80479 -45.14858 1.65621 1.87864 -45.15809 588.25927
4995.0000 -46.60777 -45.25524 1.35253 1.89174 -45.06156 575.37562
5000.0000 -47.15517 -45.45652 1.69865 1.88862 -45.08452 599.06605
FREEZING PROCESS: loop number 21 T-loop= 578.00000000000000
main_MD> interactions number 21 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17098 0.39831 -0.72148
force_rgl> df(natom) 2.59952 -1.38411 0.60009
5005.0000 -46.75520 -45.20771 1.54749 1.84105 -45.43505 550.68350
5010.0000 -46.33742 -45.21751 1.11991 1.86256 -45.27651 555.17676
5015.0000 -45.83869 -44.16133 1.67736 1.94082 -44.69994 591.48651
5020.0000 -46.23796 -44.58455 1.65340 1.99351 -44.31166 639.91308
5025.0000 -46.93362 -45.29903 1.63459 1.88131 -45.13838 537.26924
5030.0000 -46.74817 -45.05694 1.69123 1.87082 -45.21566 525.48923
5035.0000 -46.30536 -45.05867 1.24669 1.93953 -44.70939 564.64357
5040.0000 -46.32305 -45.18651 1.13654 1.91915 -44.85959 563.84235
5045.0000 -46.80252 -45.37627 1.42625 1.88295 -45.12627 569.37893
5050.0000 -46.77591 -45.34157 1.43434 1.86072 -45.29010 566.10145
5055.0000 -46.89545 -45.61802 1.27743 1.85286 -45.34804 581.09534
5060.0000 -47.30987 -46.01579 1.29408 1.84691 -45.39187 591.63726
5065.0000 -46.87529 -45.28075 1.59454 1.81442 -45.63124 504.04229
5070.0000 -46.38053 -45.30975 1.07079 1.89440 -45.04198 623.81729
5075.0000 -46.55619 -45.17428 1.38191 1.86625 -45.24933 565.85508
5080.0000 -47.15339 -46.01706 1.13633 1.84748 -45.38767 560.82827
5085.0000 -46.84211 -45.26644 1.57567 1.81282 -45.64306 522.43651
5090.0000 -47.07763 -45.59990 1.47773 1.81224 -45.64729 514.52509
5095.0000 -47.05541 -46.13462 0.92078 1.78693 -45.83382 439.36051
5100.0000 -46.44030 -45.29289 1.14741 1.81484 -45.62818 515.50691
5105.0000 -47.25312 -46.08269 1.17043 1.83716 -45.46370 546.11289
5110.0000 -46.63864 -45.62340 1.01524 1.85330 -45.34479 575.96048
5115.0000 -46.52376 -44.88128 1.64249 1.85622 -45.32329 544.29176
5120.0000 -46.92315 -44.86184 2.06131 1.94297 -44.68404 675.68370
5125.0000 -45.90151 -44.70461 1.19690 1.92131 -44.84370 684.38783
5130.0000 -46.37785 -45.34231 1.03554 1.88163 -45.13603 610.17255
5135.0000 -46.22533 -45.01505 1.21028 1.90593 -44.95698 662.68877
5140.0000 -46.72639 -44.98888 1.73751 1.89129 -45.06483 605.39464
5145.0000 -46.83309 -44.78243 2.05066 1.91757 -44.87125 646.18560
5150.0000 -46.17796 -44.90768 1.27027 1.91737 -44.87273 613.23727
5155.0000 -46.91979 -45.51821 1.40158 1.85690 -45.31825 568.08282
5160.0000 -47.22297 -45.84619 1.37678 1.81498 -45.62714 515.09288
5165.0000 -47.26991 -46.12070 1.14921 1.77236 -45.94113 462.37545
5170.0000 -46.99474 -45.57065 1.42409 1.77546 -45.91831 472.97088
5175.0000 -46.48384 -44.99004 1.49380 1.89749 -45.01920 622.90004
5180.0000 -46.17343 -44.75653 1.41690 1.89770 -45.01762 579.11164
5185.0000 -46.99098 -45.44407 1.54692 1.88091 -45.14131 602.99782
5190.0000 -46.62615 -45.38176 1.24439 1.89025 -45.07252 612.90601
5195.0000 -46.91840 -45.33791 1.58049 1.84206 -45.42759 553.53973
5200.0000 -46.51752 -45.15632 1.36121 1.89150 -45.06332 592.86030
5205.0000 -46.59394 -45.14830 1.44565 1.87225 -45.20511 579.69184
5210.0000 -46.99270 -45.85309 1.13961 1.81471 -45.62913 517.53173
5215.0000 -47.07678 -45.66875 1.40803 1.76671 -45.98274 470.59440
5220.0000 -47.31044 -45.57338 1.73705 1.81418 -45.63298 538.71242
5225.0000 -47.12781 -45.42393 1.70388 1.84712 -45.39028 564.59795
5230.0000 -47.16156 -45.45546 1.70610 1.86943 -45.22591 585.54338
5235.0000 -46.16852 -44.78561 1.38291 1.87233 -45.20453 606.81821
5240.0000 -46.58785 -45.27521 1.31264 1.86344 -45.27009 580.73692
5245.0000 -46.62278 -45.63901 0.98377 1.84605 -45.39817 559.10587
5250.0000 -46.77305 -44.86070 1.91235 1.83520 -45.47814 517.34286
FREEZING PROCESS: loop number 22 T-loop= 553.00000000000000
main_MD> interactions number 22 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.26297 1.33509 1.13674
force_rgl> df(natom) -1.01119 -2.23408 -1.32410
5255.0000 -45.87405 -44.53610 1.33795 1.94383 -44.67775 609.91830
5260.0000 -46.74254 -45.26511 1.47743 1.90988 -44.92785 588.20509
5265.0000 -46.88303 -45.58900 1.29403 1.84565 -45.40113 527.77119
5270.0000 -46.44273 -45.02568 1.41705 1.90747 -44.94563 560.74364
5275.0000 -46.45306 -45.09897 1.35409 1.88054 -45.14404 548.76874
5280.0000 -46.46017 -44.84764 1.61253 1.90202 -44.98580 583.44829
5285.0000 -46.91797 -45.59429 1.32368 1.90453 -44.96734 647.33413
5290.0000 -46.64622 -45.41278 1.23344 1.83817 -45.45624 534.98099
5295.0000 -46.58515 -45.16777 1.41738 1.87484 -45.18606 568.87937
5300.0000 -46.81173 -45.29929 1.51245 1.88721 -45.09490 534.72376
5305.0000 -46.59057 -44.92327 1.66730 1.87514 -45.18384 545.30039
5310.0000 -46.96405 -45.77595 1.18809 1.84572 -45.40061 486.46852
5315.0000 -46.91198 -45.47248 1.43950 1.80227 -45.72076 479.10326
5320.0000 -46.84698 -45.39341 1.45357 1.84724 -45.38940 543.83590
5325.0000 -46.79190 -45.79365 0.99824 1.80756 -45.68178 502.46274
5330.0000 -46.64201 -45.56790 1.07411 1.80631 -45.69102 501.21595
5335.0000 -47.07368 -45.15654 1.91714 1.84543 -45.40276 550.58717
5340.0000 -46.54736 -44.35528 2.19209 1.96270 -44.53872 689.44872
5345.0000 -46.41709 -44.78024 1.63686 1.96796 -44.49998 706.06448
5350.0000 -46.91920 -45.59371 1.32549 1.85381 -45.34097 544.87768
5355.0000 -46.91402 -45.89663 1.01738 1.80215 -45.72161 485.28373
5360.0000 -46.78908 -45.16260 1.62647 1.82353 -45.56409 561.40378
5365.0000 -46.68579 -45.26844 1.41734 1.85176 -45.35611 612.37595
5370.0000 -46.73459 -45.22069 1.51390 1.86064 -45.29071 576.63733
5375.0000 -46.83797 -45.71198 1.12599 1.82169 -45.57764 536.28752
5380.0000 -46.76904 -45.16319 1.60585 1.82724 -45.53675 555.27470
5385.0000 -46.50560 -44.77966 1.72594 1.86943 -45.22594 583.79836
5390.0000 -46.75198 -45.12744 1.62454 1.90877 -44.93610 618.36689
5395.0000 -46.76676 -45.47032 1.29645 1.86608 -45.25058 566.99829
5400.0000 -46.69954 -45.41403 1.28551 1.81617 -45.61838 507.64452
5405.0000 -46.42236 -45.21993 1.20243 1.83996 -45.44305 520.94403
5410.0000 -46.18866 -45.05273 1.13594 1.87206 -45.20658 579.97834
5415.0000 -46.89117 -45.52910 1.36207 1.85911 -45.30196 571.19328
5420.0000 -46.30381 -45.02459 1.27922 1.82688 -45.53943 508.92560
5425.0000 -46.63000 -45.54792 1.08208 1.87421 -45.19070 596.56738
5430.0000 -47.09848 -45.79936 1.29913 1.83934 -45.44764 578.22299
5435.0000 -46.79615 -45.39734 1.39881 1.83278 -45.49595 556.69642
5440.0000 -47.02611 -45.34490 1.68121 1.82957 -45.51962 590.36101
5445.0000 -47.16343 -45.95917 1.20427 1.83394 -45.48739 538.41977
5450.0000 -47.27727 -45.69218 1.58509 1.79101 -45.80374 486.26378
5455.0000 -46.90241 -45.55262 1.34980 1.81671 -45.61440 534.68981
5460.0000 -46.90097 -45.58121 1.31975 1.82175 -45.57721 520.74431
5465.0000 -46.83005 -45.52993 1.30013 1.84191 -45.42869 538.59847
5470.0000 -47.21264 -45.84114 1.37150 1.84285 -45.42179 526.09436
5475.0000 -46.93278 -45.58460 1.34819 1.81545 -45.62368 514.42296
5480.0000 -47.12358 -45.96144 1.16214 1.81986 -45.59117 495.74525
5485.0000 -46.63272 -45.57383 1.05888 1.78813 -45.82492 458.95337
5490.0000 -47.41208 -46.06424 1.34784 1.80782 -45.67987 507.94264
5495.0000 -46.79884 -45.86636 0.93247 1.78455 -45.85129 467.05776
5500.0000 -47.16876 -45.76328 1.40548 1.80265 -45.71796 478.12267
FREEZING PROCESS: loop number 23 T-loop= 528.00000000000000
main_MD> interactions number 23 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01528 -1.66889 -0.36153
force_rgl> df(natom) 0.04860 -0.44600 1.38336
5505.0000 -46.81157 -45.69956 1.11201 1.78786 -45.82690 498.00988
5510.0000 -47.09048 -45.66566 1.42482 1.76829 -45.97114 486.22483
5515.0000 -46.88068 -45.51020 1.37047 1.80907 -45.67064 495.10109
5520.0000 -46.69800 -45.50024 1.19775 1.79721 -45.75804 499.03244
5525.0000 -46.57906 -45.74833 0.83073 1.84731 -45.38893 562.52495
5530.0000 -46.80418 -45.22058 1.58361 1.83891 -45.45078 544.72743
5535.0000 -46.87388 -44.82783 2.04605 1.89715 -45.02165 609.42234
5540.0000 -46.38665 -45.30886 1.07779 1.84306 -45.42025 546.40304
5545.0000 -47.27157 -45.90012 1.37145 1.85675 -45.31936 565.17874
5550.0000 -47.45511 -46.23346 1.22165 1.73755 -46.19765 424.84631
5555.0000 -46.98973 -45.40924 1.58049 1.78891 -45.81922 508.31853
5560.0000 -47.28223 -46.23217 1.05006 1.81687 -45.61320 530.44879
5565.0000 -47.35763 -46.04263 1.31500 1.74334 -46.15494 429.76104
5570.0000 -47.07798 -45.32949 1.74849 1.82749 -45.53497 530.53981
5575.0000 -46.92088 -46.02061 0.90027 1.82235 -45.57278 515.85000
5580.0000 -46.87543 -45.61585 1.25957 1.82119 -45.58136 512.87096
5585.0000 -47.34523 -45.97212 1.37311 1.80036 -45.73482 487.86209
5590.0000 -46.94883 -45.74605 1.20278 1.78726 -45.83136 488.81671
5595.0000 -47.00495 -46.00826 0.99670 1.76883 -45.96712 458.01129
5600.0000 -46.91939 -45.31835 1.60105 1.84108 -45.43481 548.28833
5605.0000 -46.30197 -44.93779 1.36419 1.87287 -45.20056 540.15643
5610.0000 -46.85805 -45.55110 1.30695 1.86535 -45.25596 585.31289
5615.0000 -46.97214 -45.97448 0.99766 1.81031 -45.66155 526.08637
5620.0000 -47.16250 -45.52332 1.63918 1.81924 -45.59570 525.47902
5625.0000 -46.34652 -45.13899 1.20753 1.84899 -45.37649 551.66997
5630.0000 -46.46089 -44.90642 1.55447 1.89407 -45.04437 590.15058
5635.0000 -46.95222 -45.28328 1.66894 1.86138 -45.28521 572.47294
5640.0000 -47.11995 -45.93552 1.18444 1.84007 -45.44222 550.19718
5645.0000 -47.07623 -45.87374 1.20249 1.76058 -46.02790 461.13781
5650.0000 -46.54809 -45.27492 1.27317 1.80260 -45.71833 519.86990
5655.0000 -47.18652 -45.98658 1.19993 1.81333 -45.63930 504.86121
5660.0000 -47.30960 -46.07410 1.23550 1.76064 -46.02749 454.60915
5665.0000 -47.06174 -45.67332 1.38842 1.80408 -45.70740 498.88710
5670.0000 -46.37069 -44.86251 1.50817 1.84915 -45.37534 551.45592
5675.0000 -47.08974 -45.45137 1.63836 1.85318 -45.34565 534.45718
5680.0000 -46.95087 -45.61359 1.33728 1.82132 -45.58039 529.43747
5685.0000 -46.75777 -44.98450 1.77327 1.88695 -45.09681 605.78843
5690.0000 -46.69665 -44.84357 1.85308 1.90283 -44.97981 631.72116
5695.0000 -46.13384 -44.48464 1.64920 1.93488 -44.74365 642.85705
5700.0000 -46.91160 -45.08335 1.82825 1.98415 -44.38066 699.93448
5705.0000 -47.20001 -45.41022 1.78979 1.84610 -45.39783 562.45433
5710.0000 -46.63821 -45.71655 0.92165 1.83900 -45.45013 547.97744
5715.0000 -47.08353 -45.91444 1.16909 1.79984 -45.73867 520.67424
5720.0000 -47.18161 -45.80161 1.38000 1.81137 -45.65369 517.52063
5725.0000 -46.52705 -44.81920 1.70785 1.86067 -45.29049 584.55014
5730.0000 -47.25851 -45.83080 1.42771 1.85280 -45.34843 569.84877
5735.0000 -46.59725 -45.25257 1.34469 1.83079 -45.51063 581.49269
5740.0000 -46.45081 -45.35177 1.09904 1.84875 -45.37832 611.41942
5745.0000 -47.02669 -45.72152 1.30517 1.84754 -45.38719 561.23305
5750.0000 -47.23216 -45.53899 1.69317 1.82468 -45.55566 545.27412
FREEZING PROCESS: loop number 24 T-loop= 503.00000000000000
main_MD> interactions number 24 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14082 1.78119 -0.43034
force_rgl> df(natom) -0.50995 -3.38241 1.67376
5755.0000 -47.28559 -45.69454 1.59105 1.78443 -45.85224 491.04610
5760.0000 -46.94161 -45.41231 1.52929 1.81008 -45.66320 503.85625
5765.0000 -46.88054 -45.76562 1.11492 1.84300 -45.42067 543.32151
5770.0000 -46.57754 -45.38752 1.19002 1.80152 -45.72627 486.52043
5775.0000 -46.92874 -45.84186 1.08689 1.78844 -45.82269 474.44000
5780.0000 -46.77459 -45.30122 1.47338 1.78723 -45.83158 463.67021
5785.0000 -46.88697 -45.70683 1.18013 1.82230 -45.57315 512.85008
5790.0000 -46.91901 -45.48662 1.43239 1.80836 -45.67591 513.13875
5795.0000 -47.19974 -45.61317 1.58656 1.80423 -45.70629 504.02511
5800.0000 -47.17310 -45.77735 1.39575 1.81034 -45.66131 494.71694
5805.0000 -47.11997 -45.56135 1.55862 1.79452 -45.77786 490.26849
5810.0000 -46.74262 -45.56367 1.17895 1.81995 -45.59051 532.95922
5815.0000 -47.11680 -45.67573 1.44106 1.81473 -45.62897 522.90430
5820.0000 -46.84264 -45.36564 1.47700 1.83509 -45.47891 546.80375
5825.0000 -46.32820 -44.50279 1.82541 1.88094 -45.14108 610.66479
5830.0000 -46.96194 -45.05827 1.90367 1.88621 -45.10226 635.45811
5835.0000 -46.92894 -45.58577 1.34317 1.87793 -45.16332 553.63601
5840.0000 -46.98981 -45.64400 1.34581 1.82465 -45.55588 526.02135
5845.0000 -47.21276 -45.26539 1.94737 1.84915 -45.37538 576.04421
5850.0000 -47.04897 -45.79105 1.25791 1.79823 -45.75050 515.33145
5855.0000 -47.42813 -46.29201 1.13612 1.78476 -45.84978 490.72899
5860.0000 -47.09303 -46.08115 1.01188 1.73834 -46.19183 406.40357
5865.0000 -47.09742 -45.31231 1.78511 1.85584 -45.32602 553.29379
5870.0000 -47.22734 -45.84406 1.38328 1.84076 -45.43715 507.87687
5875.0000 -47.05841 -45.68098 1.37743 1.77756 -45.90286 462.60368
5880.0000 -46.75283 -45.34714 1.40569 1.81792 -45.60548 523.35144
5885.0000 -46.68607 -45.38189 1.30419 1.89272 -45.05429 596.64275
5890.0000 -46.86345 -45.51496 1.34849 1.83781 -45.45890 529.18544
5895.0000 -47.16217 -45.60176 1.56041 1.86111 -45.28722 557.52948
5900.0000 -47.14823 -45.82535 1.32288 1.82787 -45.53217 543.56178
5905.0000 -46.84490 -45.50538 1.33952 1.78432 -45.85304 485.76209
5910.0000 -47.06741 -45.84746 1.21995 1.83372 -45.48905 556.55036
5915.0000 -46.93311 -45.38330 1.54980 1.82875 -45.52563 550.56914
5920.0000 -46.93361 -45.57451 1.35911 1.85073 -45.36371 579.07150
5925.0000 -46.70923 -45.13602 1.57321 1.85230 -45.35214 557.75365
5930.0000 -46.86255 -45.49824 1.36430 1.86559 -45.25418 573.27236
5935.0000 -46.97185 -45.57956 1.39229 1.79668 -45.76197 493.33713
5940.0000 -46.81880 -44.75844 2.06036 1.85139 -45.35885 559.13440
5945.0000 -47.11772 -45.58712 1.53060 1.83904 -45.44980 588.44673
5950.0000 -47.36906 -46.00590 1.36317 1.79216 -45.79528 499.21139
5955.0000 -46.58409 -45.00485 1.57924 1.86077 -45.28975 593.63583
5960.0000 -46.79540 -45.64189 1.15351 1.89145 -45.06365 607.91809
5965.0000 -46.97564 -45.82474 1.15091 1.80861 -45.67403 506.31633
5970.0000 -47.02442 -45.54493 1.47948 1.81989 -45.59093 522.02497
5975.0000 -47.14006 -46.09172 1.04834 1.83041 -45.51339 534.41469
5980.0000 -46.82775 -45.73001 1.09774 1.81222 -45.64746 509.53105
5985.0000 -47.26564 -46.02207 1.24357 1.75445 -46.07313 429.42240
5990.0000 -46.98331 -45.60161 1.38170 1.77680 -45.90846 484.64686
5995.0000 -46.96785 -46.01817 0.94967 1.79193 -45.79695 491.47949
6000.0000 -47.23444 -45.44317 1.79126 1.80468 -45.70298 512.92488
FREEZING PROCESS: loop number 25 T-loop= 478.00000000000000
main_MD> interactions number 25 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09254 -3.90055 -1.13344
force_rgl> df(natom) 4.51080 2.80325 0.48746
6005.0000 -47.16642 -45.59888 1.56754 1.81868 -45.59987 541.63338
6010.0000 -47.50415 -46.24563 1.25852 1.80650 -45.68958 507.04053
6015.0000 -47.21600 -46.16082 1.05519 1.74991 -46.10658 447.97712
6020.0000 -46.62009 -45.62557 0.99452 1.75895 -46.03995 444.36186
6025.0000 -47.34979 -46.31846 1.03133 1.74947 -46.10982 450.65944
6030.0000 -47.33303 -46.26430 1.06873 1.71825 -46.33979 393.27987
6035.0000 -47.04317 -45.76931 1.27386 1.76820 -45.97179 455.52784
6040.0000 -47.15017 -45.78423 1.36594 1.79341 -45.78601 498.67050
6045.0000 -47.08412 -45.88480 1.19932 1.77345 -45.93311 481.09387
6050.0000 -47.66862 -45.97139 1.69723 1.80671 -45.68805 515.59813
6055.0000 -47.19342 -45.61291 1.58051 1.79054 -45.80717 493.96706
6060.0000 -47.23422 -46.26170 0.97252 1.75859 -46.04261 453.72012
6065.0000 -47.27280 -45.92096 1.35184 1.70913 -46.40703 371.58462
6070.0000 -47.09403 -46.19185 0.90218 1.77466 -45.92417 440.03727
6075.0000 -47.06172 -46.03067 1.03106 1.76709 -45.97998 448.10449
6080.0000 -47.11088 -46.02572 1.08516 1.75319 -46.08242 442.73932
6085.0000 -47.31080 -46.06398 1.24682 1.77477 -45.92342 467.85362
6090.0000 -47.06975 -45.90381 1.16594 1.76879 -45.96748 463.65337
6095.0000 -47.02016 -46.04082 0.97934 1.76140 -46.02193 449.32811
6100.0000 -47.33022 -46.00944 1.32077 1.76548 -45.99183 456.32162
6105.0000 -47.09168 -46.36173 0.72994 1.73553 -46.21248 422.14503
6110.0000 -47.04436 -45.85548 1.18889 1.77936 -45.88958 484.69256
6115.0000 -46.62849 -45.60305 1.02544 1.77935 -45.88967 451.91093
6120.0000 -47.22004 -46.26199 0.95805 1.79656 -45.76286 501.02390
6125.0000 -47.19405 -45.48089 1.71316 1.76588 -45.98886 453.02652
6130.0000 -47.05601 -45.73021 1.32581 1.82589 -45.54670 526.22641
6135.0000 -47.19980 -46.03523 1.16457 1.75215 -46.09002 431.50960
6140.0000 -47.56366 -46.52535 1.03830 1.70980 -46.40209 382.86883
6145.0000 -46.93009 -45.49306 1.43702 1.77154 -45.94715 492.03400
6150.0000 -46.95497 -45.66563 1.28934 1.82083 -45.58402 528.66957
6155.0000 -46.85036 -45.66903 1.18132 1.81578 -45.62119 540.23420
6160.0000 -47.07828 -46.11141 0.96686 1.80376 -45.70975 493.67315
6165.0000 -47.41324 -46.20749 1.20575 1.73761 -46.19717 421.60896
6170.0000 -47.33391 -45.49236 1.84155 1.79425 -45.77987 491.71750
6175.0000 -46.79949 -44.73536 2.06413 1.88694 -45.09693 588.92476
6180.0000 -46.68858 -45.58468 1.10390 1.84694 -45.39165 531.95614
6185.0000 -46.98981 -45.54394 1.44586 1.85828 -45.30811 561.73290
6190.0000 -47.14840 -45.90697 1.24143 1.82479 -45.55485 529.16231
6195.0000 -47.04897 -45.98646 1.06251 1.77508 -45.92113 477.64553
6200.0000 -46.96404 -45.75478 1.20926 1.75847 -46.04346 419.80124
6205.0000 -46.75744 -45.84628 0.91116 1.78666 -45.83580 434.39322
6210.0000 -47.23919 -45.86535 1.37385 1.79074 -45.80570 460.44621
6215.0000 -46.73393 -45.57867 1.15526 1.82282 -45.56931 475.82840
6220.0000 -46.99485 -45.95154 1.04331 1.79833 -45.74978 443.96659
6225.0000 -46.88869 -45.82064 1.06804 1.76649 -45.98436 410.15080
6230.0000 -46.59140 -45.61129 0.98011 1.81833 -45.60240 468.53926
6235.0000 -46.49564 -45.00772 1.48791 1.86753 -45.23994 529.99080
6240.0000 -46.55106 -45.47988 1.07119 1.87390 -45.19298 533.65104
6245.0000 -47.21798 -45.69346 1.52452 1.81478 -45.62856 469.21365
6250.0000 -46.66601 -45.40449 1.26151 1.80298 -45.71554 440.47047
FREEZING PROCESS: loop number 26 T-loop= 453.00000000000000
main_MD> interactions number 26 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20539 -2.24507 -0.65256
force_rgl> df(natom) -2.36904 0.40140 0.13629
6255.0000 -47.21676 -46.00695 1.20981 1.83360 -45.48993 496.38748
6260.0000 -47.11962 -45.86755 1.25207 1.76771 -45.97540 432.58059
6265.0000 -46.93646 -45.60100 1.33546 1.78057 -45.88063 440.49916
6270.0000 -46.71451 -45.55491 1.15960 1.78340 -45.85982 409.55261
6275.0000 -46.92453 -45.38687 1.53767 1.86667 -45.24627 517.71945
6280.0000 -46.46521 -45.18050 1.28471 1.87946 -45.15205 539.54204
6285.0000 -47.15626 -45.81875 1.33751 1.84045 -45.43947 491.18080
6290.0000 -46.67254 -45.65115 1.02139 1.77658 -45.91006 397.34475
6295.0000 -47.24265 -46.29342 0.94923 1.76324 -46.00832 436.41401
6300.0000 -47.50976 -46.37366 1.13610 1.72133 -46.31711 393.21993
6305.0000 -47.32808 -45.98482 1.34326 1.76204 -46.01716 468.09825
6310.0000 -47.12253 -45.57223 1.55029 1.79065 -45.80638 490.74076
6315.0000 -47.18968 -46.13624 1.05344 1.79556 -45.77017 501.31179
6320.0000 -47.24516 -46.29149 0.95367 1.70273 -46.45420 379.45866
6325.0000 -47.32633 -46.09159 1.23474 1.74840 -46.11771 432.61994
6330.0000 -47.33499 -46.24280 1.09218 1.74361 -46.15296 425.16976
6335.0000 -47.40295 -45.81617 1.58677 1.75561 -46.06452 441.89445
6340.0000 -46.95342 -45.88527 1.06815 1.79990 -45.73825 511.01677
6345.0000 -46.74445 -45.67825 1.06620 1.81680 -45.61372 486.43565
6350.0000 -46.91484 -45.43345 1.48140 1.82392 -45.56125 537.27970
6355.0000 -47.11370 -45.83248 1.28123 1.82274 -45.56997 552.92587
6360.0000 -46.34789 -45.42481 0.92308 1.80485 -45.70177 511.06057
6365.0000 -46.71864 -45.78851 0.93013 1.79821 -45.75070 438.87651
6370.0000 -46.44805 -45.29413 1.15392 1.83148 -45.50552 437.91536
6375.0000 -46.95248 -45.53417 1.41832 1.85731 -45.31526 562.31547
6380.0000 -47.21239 -45.64311 1.56928 1.81630 -45.61737 515.99896
6385.0000 -46.79707 -45.47971 1.31736 1.79985 -45.73863 507.40828
6390.0000 -47.19241 -46.34194 0.85047 1.77604 -45.91404 451.15501
6395.0000 -47.12239 -46.10047 1.02192 1.74025 -46.17775 425.63950
6400.0000 -47.22366 -46.40716 0.81650 1.70668 -46.42507 371.49880
6405.0000 -47.02867 -46.20002 0.82865 1.72689 -46.27615 389.44385
6410.0000 -47.16248 -46.10015 1.06233 1.77367 -45.93147 459.74179
6415.0000 -47.17878 -46.00336 1.17542 1.75834 -46.04444 446.62447
6420.0000 -46.77071 -45.50066 1.27005 1.80525 -45.69878 501.97587
6425.0000 -46.74871 -45.87199 0.87672 1.80219 -45.72131 505.37057
6430.0000 -47.14519 -45.90202 1.24317 1.79203 -45.79620 428.42246
6435.0000 -47.47307 -46.06325 1.40982 1.76656 -45.98388 444.23190
6440.0000 -46.85381 -45.46533 1.38849 1.77659 -45.90997 441.55600
6445.0000 -46.41774 -44.98906 1.42867 1.87167 -45.20943 541.38673
6450.0000 -46.53918 -45.11470 1.42449 1.86972 -45.22380 524.04126
6455.0000 -46.27844 -45.39746 0.88098 1.82180 -45.57684 489.02746
6460.0000 -47.14240 -45.70995 1.43245 1.84102 -45.43523 495.81042
6465.0000 -46.85529 -45.27743 1.57786 1.81878 -45.59913 503.99966
6470.0000 -46.48564 -45.15108 1.33456 1.90192 -44.98653 564.84814
6475.0000 -47.17301 -45.89090 1.28211 1.80804 -45.67825 459.28785
6480.0000 -46.96929 -45.75364 1.21565 1.78216 -45.86896 429.38839
6485.0000 -47.22547 -46.38402 0.84144 1.77897 -45.89243 424.81899
6490.0000 -47.10621 -46.07822 1.02799 1.74922 -46.11161 382.02032
6495.0000 -47.08492 -45.70492 1.38000 1.78956 -45.81439 433.46901
6500.0000 -47.11305 -45.65205 1.46100 1.78324 -45.86094 474.53993
FREEZING PROCESS: loop number 27 T-loop= 428.00000000000000
main_MD> interactions number 27 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50298 -0.56505 -0.97279
force_rgl> df(natom) -2.41678 0.12437 -0.36086
6505.0000 -47.31388 -46.19082 1.12306 1.78157 -45.87329 481.58590
6510.0000 -47.21953 -46.35332 0.86620 1.71130 -46.39100 388.47356
6515.0000 -47.05076 -46.20079 0.84997 1.75226 -46.08924 430.78154
6520.0000 -46.97868 -45.89469 1.08399 1.74593 -46.13587 428.86163
6525.0000 -47.21937 -45.89419 1.32519 1.77858 -45.89533 482.83095
6530.0000 -47.28535 -46.14696 1.13839 1.77819 -45.89816 456.48946
6535.0000 -47.18317 -45.96044 1.22273 1.75504 -46.06878 439.25774
6540.0000 -47.40494 -46.34090 1.06405 1.73234 -46.23601 407.82798
6545.0000 -47.13168 -46.14353 0.98815 1.73753 -46.19777 426.42583
6550.0000 -47.35079 -45.99107 1.35972 1.74616 -46.13418 430.39946
6555.0000 -47.30203 -46.02004 1.28199 1.75012 -46.10502 445.59624
6560.0000 -47.29665 -46.29179 1.00486 1.76917 -45.96467 441.12170
6565.0000 -47.33544 -46.07682 1.25863 1.74471 -46.14484 429.35668
6570.0000 -47.36043 -46.44136 0.91908 1.73852 -46.19048 428.73030
6575.0000 -47.48727 -46.42093 1.06634 1.69613 -46.50284 374.96054
6580.0000 -47.36236 -46.20084 1.16152 1.69747 -46.49293 364.29721
6585.0000 -47.27577 -46.34502 0.93075 1.75199 -46.09119 427.87220
6590.0000 -47.23365 -46.43797 0.79568 1.72385 -46.29856 404.17396
6595.0000 -47.27029 -45.99829 1.27201 1.73924 -46.18517 419.58313
6600.0000 -47.23513 -46.25209 0.98303 1.75252 -46.08734 454.12070
6605.0000 -47.40275 -45.94753 1.45522 1.74034 -46.17710 438.22941
6610.0000 -47.05742 -46.01106 1.04636 1.74400 -46.15010 427.23226
6615.0000 -47.10840 -46.10680 1.00160 1.75513 -46.06812 434.45284
6620.0000 -47.56575 -46.18472 1.38103 1.74743 -46.12479 443.03227
6625.0000 -47.17038 -45.85175 1.31863 1.74748 -46.12446 452.56063
6630.0000 -47.44260 -46.63352 0.80908 1.71474 -46.36570 384.37454
6635.0000 -47.37711 -46.08702 1.29009 1.72187 -46.31318 384.07836
6640.0000 -47.48007 -46.58525 0.89482 1.70836 -46.41273 369.82074
6645.0000 -47.66546 -46.73606 0.92940 1.70498 -46.43764 377.46602
6650.0000 -47.28553 -46.24836 1.03717 1.68991 -46.54867 353.00032
6655.0000 -46.99007 -45.98186 1.00821 1.76053 -46.02829 443.86915
6660.0000 -47.15928 -45.99705 1.16223 1.76946 -45.96249 442.18401
6665.0000 -47.24207 -46.13207 1.11001 1.75356 -46.07969 424.89486
6670.0000 -46.81694 -45.77698 1.03996 1.77249 -45.94018 452.02936
6675.0000 -47.38209 -46.16137 1.22072 1.77063 -45.95385 437.45910
6680.0000 -47.53088 -46.26386 1.26702 1.72888 -46.26151 435.43990
6685.0000 -47.42490 -46.12242 1.30248 1.73594 -46.20947 414.06492
6690.0000 -47.18454 -46.04516 1.13937 1.75256 -46.08705 422.15859
6695.0000 -47.38836 -46.60024 0.78811 1.70210 -46.45879 372.72113
6700.0000 -47.09357 -45.99053 1.10305 1.69847 -46.48556 361.44865
6705.0000 -47.29266 -46.32973 0.96293 1.73040 -46.25033 408.06435
6710.0000 -46.72594 -45.87013 0.85581 1.76685 -45.98171 443.10326
6715.0000 -47.18323 -46.17684 1.00639 1.74028 -46.17751 399.64117
6720.0000 -46.83536 -45.83076 1.00460 1.74354 -46.15347 408.45637
6725.0000 -46.80536 -45.62600 1.17936 1.79102 -45.80364 477.53664
6730.0000 -47.08780 -45.30114 1.78666 1.81488 -45.62784 507.92007
6735.0000 -47.02464 -45.75323 1.27141 1.83380 -45.48846 516.55378
6740.0000 -47.50447 -46.82761 0.67686 1.71013 -46.39969 383.10126
6745.0000 -47.70544 -46.88102 0.82442 1.66456 -46.73545 322.52892
6750.0000 -47.74249 -46.92095 0.82155 1.65474 -46.80774 299.25138
FREEZING PROCESS: loop number 28 T-loop= 403.00000000000000
main_MD> interactions number 28 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64900 0.94564 0.41819
force_rgl> df(natom) 0.23407 2.01216 2.78742
6755.0000 -47.30071 -46.02670 1.27401 1.70498 -46.43757 373.91554
6760.0000 -47.40453 -46.47214 0.93238 1.75187 -46.09213 449.67186
6765.0000 -47.38122 -46.34288 1.03834 1.69263 -46.52861 351.24314
6770.0000 -47.07289 -46.03267 1.04021 1.73450 -46.22011 416.38902
6775.0000 -47.63292 -46.69172 0.94121 1.72386 -46.29848 391.56417
6780.0000 -47.25382 -46.34128 0.91254 1.69988 -46.47520 355.72530
6785.0000 -47.55062 -46.76719 0.78344 1.67962 -46.62445 335.53485
6790.0000 -47.03293 -46.34745 0.68548 1.69330 -46.52363 355.14653
6795.0000 -47.42536 -46.40400 1.02136 1.72560 -46.28569 413.80179
6800.0000 -47.36773 -46.37121 0.99653 1.69257 -46.52902 387.64141
6805.0000 -47.41657 -46.66661 0.74996 1.65108 -46.83473 308.40990
6810.0000 -47.54492 -46.54524 0.99968 1.72404 -46.29714 409.02299
6815.0000 -47.36392 -46.12384 1.24009 1.68177 -46.60864 339.66751
6820.0000 -47.66693 -46.44004 1.22689 1.71142 -46.39015 382.90207
6825.0000 -47.07024 -46.22020 0.85004 1.70160 -46.46253 377.42725
6830.0000 -47.15802 -45.88439 1.27363 1.76307 -46.00956 465.68118
6835.0000 -47.08664 -45.83638 1.25026 1.77408 -45.92843 464.29854
6840.0000 -47.25491 -46.45977 0.79514 1.71592 -46.35702 392.03596
6845.0000 -47.59477 -46.42263 1.17214 1.71070 -46.39543 361.89287
6850.0000 -47.31643 -46.27548 1.04096 1.70343 -46.44898 356.33938
6855.0000 -47.17149 -46.18824 0.98325 1.73147 -46.24239 405.33241
6860.0000 -47.29938 -46.18083 1.11854 1.75597 -46.06187 446.89679
6865.0000 -47.27532 -46.19124 1.08408 1.75230 -46.08892 429.08168
6870.0000 -47.23983 -45.82243 1.41741 1.76320 -46.00865 444.63753
6875.0000 -47.51955 -46.34916 1.17040 1.73346 -46.22777 415.80315
6880.0000 -47.34733 -46.42074 0.92659 1.69889 -46.48247 370.27120
6885.0000 -47.48007 -46.30073 1.17934 1.72373 -46.29945 401.58730
6890.0000 -47.58702 -46.87371 0.71332 1.70900 -46.40800 374.53899
6895.0000 -47.11138 -46.23770 0.87368 1.69436 -46.51586 352.21899
6900.0000 -47.54401 -46.20876 1.33525 1.73672 -46.20372 423.83546
6905.0000 -47.20337 -45.70975 1.49362 1.77661 -45.90984 471.43353
6910.0000 -47.32174 -46.21789 1.10385 1.76978 -45.96017 467.10386
6915.0000 -47.36076 -46.09544 1.26532 1.74816 -46.11947 458.83300
6920.0000 -47.26615 -46.42199 0.84416 1.69270 -46.52809 363.05580
6925.0000 -47.34468 -46.14357 1.20111 1.71500 -46.36376 372.62695
6930.0000 -47.38994 -46.06481 1.32513 1.75146 -46.09510 427.35494
6935.0000 -47.02195 -46.16096 0.86099 1.75361 -46.07928 435.64273
6940.0000 -47.17359 -46.00023 1.17336 1.75417 -46.07516 441.37686
6945.0000 -46.83941 -45.94613 0.89328 1.78884 -45.81973 475.90066
6950.0000 -47.27439 -45.96506 1.30934 1.78625 -45.83876 441.30571
6955.0000 -47.32662 -46.17234 1.15428 1.76926 -45.96397 452.33675
6960.0000 -47.24801 -46.22995 1.01806 1.74252 -46.16097 432.33126
6965.0000 -47.42434 -46.60148 0.82286 1.68905 -46.55496 363.82414
6970.0000 -47.38835 -46.38620 1.00215 1.72475 -46.29191 375.85965
6975.0000 -47.64775 -46.73460 0.91315 1.68870 -46.55753 363.42643
6980.0000 -47.57309 -46.41813 1.15496 1.70242 -46.45647 368.90223
6985.0000 -47.29606 -46.22564 1.07043 1.72307 -46.30429 401.95847
6990.0000 -47.23816 -46.18158 1.05658 1.76051 -46.02842 437.59546
6995.0000 -47.32217 -46.37112 0.95106 1.70761 -46.41825 343.45821
7000.0000 -47.27661 -46.36319 0.91342 1.72520 -46.28863 369.14910
FREEZING PROCESS: loop number 29 T-loop= 378.00000000000000
main_MD> interactions number 29 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09608 0.35643 0.32799
force_rgl> df(natom) -1.17797 -1.82906 2.43793
7005.0000 -47.46294 -46.78625 0.67668 1.68286 -46.60057 338.19080
7010.0000 -47.32714 -46.04896 1.27818 1.71001 -46.40053 375.76232
7015.0000 -47.64254 -46.29360 1.34895 1.72151 -46.31579 389.22820
7020.0000 -47.26985 -46.25382 1.01603 1.73651 -46.20530 434.74177
7025.0000 -47.57765 -46.31045 1.26719 1.72399 -46.29754 390.34771
7030.0000 -47.48312 -46.63142 0.85170 1.70365 -46.44741 367.90369
7035.0000 -47.41772 -46.30678 1.11095 1.69822 -46.48742 359.77674
7040.0000 -47.58531 -46.63980 0.94551 1.69790 -46.48978 367.70350
7045.0000 -47.26835 -46.53893 0.72942 1.69399 -46.51860 363.62569
7050.0000 -47.26024 -46.27934 0.98090 1.70744 -46.41950 374.62700
7055.0000 -47.28657 -46.39057 0.89600 1.70023 -46.47263 369.71016
7060.0000 -47.40670 -46.48220 0.92449 1.72561 -46.28556 412.40920
7065.0000 -47.21013 -46.15042 1.05971 1.73397 -46.22397 403.66753
7070.0000 -47.05737 -46.33788 0.71949 1.72659 -46.27838 397.62938
7075.0000 -47.16387 -46.01113 1.15274 1.72136 -46.31691 379.72682
7080.0000 -47.62206 -46.54349 1.07857 1.75650 -46.05800 418.41990
7085.0000 -47.22397 -46.09408 1.12989 1.76288 -46.01098 442.72304
7090.0000 -47.20200 -46.47158 0.73041 1.70920 -46.40649 373.50903
7095.0000 -47.48108 -46.51894 0.96214 1.68821 -46.56116 354.43779
7100.0000 -47.48037 -46.36579 1.11459 1.69226 -46.53135 364.30867
7105.0000 -47.46704 -46.36961 1.09743 1.74283 -46.15870 432.95367
7110.0000 -47.07948 -46.10386 0.97562 1.71637 -46.35367 381.97389
7115.0000 -47.22362 -45.79778 1.42584 1.76611 -45.98720 437.70178
7120.0000 -47.32415 -46.23094 1.09321 1.75488 -46.06995 419.46355
7125.0000 -47.26848 -46.39848 0.87000 1.73386 -46.22479 406.63230
7130.0000 -47.54921 -46.36804 1.18117 1.73632 -46.20670 430.17477
7135.0000 -47.68260 -46.45371 1.22890 1.71435 -46.36859 390.61238
7140.0000 -47.39404 -46.40500 0.98904 1.70415 -46.44370 375.11462
7145.0000 -47.13836 -46.18786 0.95049 1.73452 -46.21992 414.92857
7150.0000 -47.27802 -46.26055 1.01747 1.71292 -46.37913 379.96547
7155.0000 -47.56254 -46.66495 0.89759 1.72070 -46.32175 417.13180
7160.0000 -47.06254 -46.33395 0.72859 1.71962 -46.32970 390.06122
7165.0000 -47.20986 -45.99359 1.21627 1.73399 -46.22382 412.73631
7170.0000 -47.68350 -46.56729 1.11621 1.71054 -46.39666 377.49399
7175.0000 -47.37831 -46.53905 0.83926 1.71095 -46.39363 376.17026
7180.0000 -47.18152 -45.92546 1.25606 1.73733 -46.19924 406.69643
7185.0000 -47.52911 -46.36109 1.16802 1.75773 -46.04890 460.54380
7190.0000 -47.61722 -46.74999 0.86723 1.68944 -46.55209 358.36417
7195.0000 -47.37207 -46.49190 0.88017 1.69108 -46.54003 352.64473
7200.0000 -47.55201 -46.63417 0.91783 1.68472 -46.58685 337.37943
7205.0000 -47.54083 -46.86100 0.67984 1.66039 -46.76612 298.49618
7210.0000 -47.15407 -46.24930 0.90477 1.69700 -46.49641 365.39743
7215.0000 -47.37624 -46.67448 0.70176 1.68999 -46.54803 357.45636
7220.0000 -47.49263 -46.79226 0.70038 1.65847 -46.78026 311.31364
7225.0000 -47.06175 -45.94515 1.11661 1.68892 -46.55593 348.62135
7230.0000 -47.22618 -46.04463 1.18155 1.77460 -45.92464 453.90257
7235.0000 -47.22980 -46.16732 1.06248 1.73125 -46.24405 413.76809
7240.0000 -47.04796 -46.02739 1.02056 1.74298 -46.15759 440.49919
7245.0000 -47.17375 -46.21248 0.96127 1.74128 -46.17016 408.53536
7250.0000 -47.15276 -46.30911 0.84366 1.71530 -46.36153 394.34903
FREEZING PROCESS: loop number 30 T-loop= 353.00000000000000
main_MD> interactions number 30 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26537 1.16958 1.15924
force_rgl> df(natom) -0.73561 -0.06779 -2.69561
7255.0000 -47.27300 -46.44784 0.82515 1.72279 -46.30641 405.47905
7260.0000 -47.73823 -47.03261 0.70563 1.64940 -46.84714 294.49237
7265.0000 -47.51737 -46.92410 0.59326 1.64977 -46.84439 302.16016
7270.0000 -47.63318 -46.70688 0.92631 1.67295 -46.67357 334.13902
7275.0000 -47.56202 -46.82443 0.73759 1.64773 -46.85942 296.40220
7280.0000 -47.32540 -46.37176 0.95365 1.67506 -46.65804 347.09114
7285.0000 -47.39905 -46.44929 0.94976 1.68182 -46.60822 342.24596
7290.0000 -47.46702 -46.58839 0.87863 1.70153 -46.46304 351.44692
7295.0000 -47.43571 -46.50265 0.93306 1.68715 -46.56898 324.29085
7300.0000 -47.51033 -46.41936 1.09097 1.68356 -46.59545 353.03853
7305.0000 -46.89364 -46.27886 0.61479 1.72601 -46.28266 422.69662
7310.0000 -47.66106 -46.66805 0.99301 1.68905 -46.55499 356.56596
7315.0000 -47.45248 -46.65081 0.80168 1.67222 -46.67896 337.05814
7320.0000 -47.72866 -46.93301 0.79565 1.66535 -46.72957 315.72880
7325.0000 -47.45193 -46.62317 0.82876 1.63581 -46.94728 281.28688
7330.0000 -47.62376 -46.95113 0.67263 1.66201 -46.75423 310.01989
7335.0000 -47.30692 -46.31343 0.99349 1.65231 -46.82568 305.45766
7340.0000 -47.51336 -46.16039 1.35298 1.71071 -46.39541 383.96697
7345.0000 -47.39808 -46.07291 1.32518 1.75043 -46.10270 433.97959
7350.0000 -47.28770 -46.35612 0.93158 1.73179 -46.24005 398.00297
7355.0000 -47.32937 -46.47739 0.85198 1.71618 -46.35507 397.51417
7360.0000 -47.61943 -46.35141 1.26802 1.69642 -46.50070 380.36143
7365.0000 -47.40522 -46.50916 0.89606 1.70756 -46.41859 384.73140
7370.0000 -47.58990 -46.51268 1.07723 1.67386 -46.66688 341.08811
7375.0000 -47.66586 -46.78372 0.88214 1.66289 -46.74776 327.83211
7380.0000 -47.61293 -46.53544 1.07749 1.65477 -46.80754 309.96147
7385.0000 -47.38876 -46.54808 0.84067 1.66344 -46.74364 323.78782
7390.0000 -47.45451 -45.88957 1.56494 1.75293 -46.08430 446.85219
7395.0000 -47.10636 -46.15057 0.95578 1.76767 -45.97571 471.25854
7400.0000 -47.58170 -46.59289 0.98880 1.68892 -46.55596 351.03799
7405.0000 -47.74771 -46.60457 1.14314 1.68589 -46.57825 351.01281
7410.0000 -47.34728 -46.51298 0.83429 1.67243 -46.67747 328.60074
7415.0000 -47.56286 -46.50894 1.05392 1.69196 -46.53355 364.05857
7420.0000 -47.47932 -46.67138 0.80793 1.68509 -46.58414 358.85072
7425.0000 -47.53065 -46.80287 0.72777 1.69396 -46.51879 356.91349
7430.0000 -47.40740 -46.57115 0.83625 1.66931 -46.70044 331.35951
7435.0000 -47.46420 -46.72159 0.74261 1.67923 -46.62730 336.12580
7440.0000 -47.34304 -46.61359 0.72945 1.69006 -46.54756 340.65729
7445.0000 -47.27245 -46.38928 0.88317 1.65680 -46.79259 312.77020
7450.0000 -47.42014 -46.34400 1.07613 1.72950 -46.25696 424.30230
7455.0000 -47.59762 -46.37370 1.22393 1.70735 -46.42017 380.05665
7460.0000 -47.73165 -46.72171 1.00994 1.70417 -46.44354 367.59379
7465.0000 -47.48773 -46.71892 0.76881 1.66677 -46.71910 323.07054
7470.0000 -47.59101 -46.66575 0.92526 1.67237 -46.67789 315.63833
7475.0000 -47.49311 -46.44496 1.04815 1.69951 -46.47787 371.89503
7480.0000 -47.37907 -46.34794 1.03113 1.70947 -46.40450 374.85863
7485.0000 -47.75421 -46.52063 1.23358 1.71285 -46.37960 388.96701
7490.0000 -47.45250 -46.23579 1.21671 1.70571 -46.43225 368.75229
7495.0000 -47.63086 -46.50348 1.12738 1.73190 -46.23925 412.74303
7500.0000 -47.43820 -46.40623 1.03197 1.70724 -46.42094 369.96446
FREEZING PROCESS: loop number 31 T-loop= 328.00000000000000
main_MD> interactions number 31 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53826 0.20777 0.05280
force_rgl> df(natom) 0.45757 -0.24308 0.61522
7505.0000 -47.53391 -46.53778 0.99613 1.69642 -46.50067 363.24297
7510.0000 -47.62764 -46.76066 0.86698 1.67994 -46.62209 343.27577
7515.0000 -47.87233 -46.85733 1.01500 1.64469 -46.88185 295.07567
7520.0000 -47.50158 -46.63035 0.87123 1.68611 -46.57667 367.01583
7525.0000 -47.52858 -46.69057 0.83801 1.67261 -46.67608 321.53035
7530.0000 -47.74348 -46.90427 0.83921 1.66673 -46.71942 322.20401
7535.0000 -47.64444 -46.51713 1.12731 1.66941 -46.69970 340.35243
7540.0000 -47.80936 -46.87401 0.93535 1.68333 -46.59712 346.14777
7545.0000 -47.39757 -46.50174 0.89584 1.68000 -46.62168 335.73604
7550.0000 -47.50104 -46.55586 0.94518 1.70079 -46.46845 369.19949
7555.0000 -47.72781 -46.92276 0.80505 1.65031 -46.84039 299.66316
7560.0000 -47.66684 -46.86445 0.80239 1.66202 -46.75413 315.08497
7565.0000 -47.40673 -46.68104 0.72570 1.66601 -46.72474 317.64197
7570.0000 -47.26873 -46.55636 0.71238 1.68199 -46.60696 330.21487
7575.0000 -47.56560 -46.66275 0.90285 1.65579 -46.80004 297.32513
7580.0000 -47.52030 -46.70887 0.81143 1.67199 -46.68067 330.55167
7585.0000 -47.59309 -46.90056 0.69254 1.65207 -46.82743 305.24047
7590.0000 -47.46749 -46.50193 0.96556 1.66885 -46.70381 319.45604
7595.0000 -47.47205 -46.61002 0.86202 1.65833 -46.78129 304.18208
7600.0000 -47.38665 -46.57291 0.81374 1.68632 -46.57506 352.19929
7605.0000 -47.70443 -47.03899 0.66545 1.65969 -46.77129 323.31916
7610.0000 -47.32881 -46.48959 0.83922 1.66307 -46.74642 310.00258
7615.0000 -47.63351 -46.62960 1.00391 1.68357 -46.59532 353.99009
7620.0000 -47.65696 -46.66115 0.99581 1.68390 -46.59289 339.70738
7625.0000 -47.38752 -46.34320 1.04432 1.68476 -46.58658 339.73913
7630.0000 -47.63536 -46.57007 1.06529 1.71340 -46.37555 392.96162
7635.0000 -47.46990 -46.65125 0.81865 1.65854 -46.77976 313.74048
7640.0000 -47.61786 -46.70924 0.90862 1.68746 -46.56671 341.87535
7645.0000 -47.52113 -46.43596 1.08517 1.68527 -46.58286 350.06493
7650.0000 -47.26745 -46.21248 1.05496 1.71723 -46.34736 389.48291
7655.0000 -47.45147 -46.96409 0.48738 1.66051 -46.76527 316.51313
7660.0000 -47.35917 -46.62460 0.73457 1.63509 -46.95254 277.64980
7665.0000 -47.76693 -46.81023 0.95670 1.66028 -46.76697 305.44277
7670.0000 -47.58661 -46.59245 0.99417 1.63887 -46.92469 289.84414
7675.0000 -47.65520 -46.88046 0.77474 1.65759 -46.78679 317.07448
7680.0000 -47.61605 -46.89412 0.72193 1.64332 -46.89192 289.50430
7685.0000 -47.70021 -47.12291 0.57730 1.62287 -47.04261 253.35610
7690.0000 -47.66475 -46.80239 0.86236 1.64316 -46.89306 294.98687
7695.0000 -47.53948 -46.64475 0.89473 1.67699 -46.64380 343.53981
7700.0000 -47.55548 -46.79724 0.75824 1.65533 -46.80340 312.64233
7705.0000 -47.85343 -46.90150 0.95194 1.64676 -46.86658 308.99881
7710.0000 -47.67765 -47.08657 0.59108 1.63836 -46.92846 288.80063
7715.0000 -47.54844 -46.72583 0.82261 1.63101 -46.98260 274.50875
7720.0000 -47.32381 -46.56721 0.75660 1.67872 -46.63112 347.28983
7725.0000 -47.60813 -46.57785 1.03027 1.69723 -46.49471 354.99324
7730.0000 -47.43621 -46.65539 0.78082 1.69104 -46.54033 355.11834
7735.0000 -47.44604 -46.57917 0.86687 1.68505 -46.58441 357.81107
7740.0000 -47.39254 -46.44225 0.95028 1.71297 -46.37876 384.14399
7745.0000 -47.46056 -46.54498 0.91557 1.68152 -46.61043 348.81831
7750.0000 -47.66259 -47.04648 0.61610 1.64667 -46.86727 296.51437
FREEZING PROCESS: loop number 32 T-loop= 303.00000000000000
main_MD> interactions number 32 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09269 0.56666 0.04926
force_rgl> df(natom) 0.14075 -0.76667 -0.18450
7755.0000 -47.69702 -46.86013 0.83690 1.63106 -46.98228 282.50886
7760.0000 -47.58159 -46.58623 0.99536 1.67807 -46.63591 345.90558
7765.0000 -47.34359 -46.68155 0.66204 1.66303 -46.74669 311.53299
7770.0000 -47.49228 -46.53928 0.95301 1.65947 -46.77291 322.33552
7775.0000 -47.33187 -46.61543 0.71644 1.66696 -46.71775 321.17504
7780.0000 -47.54101 -46.77812 0.76288 1.66436 -46.73689 315.42690
7785.0000 -47.43660 -46.76985 0.66674 1.66577 -46.72647 331.08515
7790.0000 -47.43591 -46.62828 0.80762 1.68739 -46.56723 351.06315
7795.0000 -47.59484 -46.83419 0.76064 1.68319 -46.59816 352.74242
7800.0000 -47.63933 -47.14786 0.49147 1.64763 -46.86013 292.06190
7805.0000 -47.53505 -46.89579 0.63926 1.63974 -46.91831 293.37144
7810.0000 -47.50133 -46.80798 0.69335 1.65423 -46.81156 310.81390
7815.0000 -47.46954 -46.73197 0.73757 1.66047 -46.76558 314.15569
7820.0000 -47.45973 -46.82920 0.63053 1.63741 -46.93548 280.99952
7825.0000 -47.58415 -47.01026 0.57389 1.62946 -46.99403 272.97427
7830.0000 -47.57177 -46.88055 0.69122 1.64507 -46.87903 286.39979
7835.0000 -47.53219 -46.64056 0.89162 1.63285 -46.96907 276.31995
7840.0000 -47.34852 -46.37628 0.97224 1.68637 -46.57473 355.82186
7845.0000 -47.38507 -46.55977 0.82530 1.69725 -46.49457 361.60660
7850.0000 -47.30983 -46.57198 0.73785 1.70435 -46.44226 390.99185
7855.0000 -47.39137 -46.53136 0.86001 1.69156 -46.53646 354.11000
7860.0000 -47.57964 -46.72460 0.85504 1.68173 -46.60893 345.51300
7865.0000 -47.73180 -47.00824 0.72356 1.64284 -46.89546 293.87304
7870.0000 -47.67998 -46.99474 0.68524 1.62984 -46.99122 281.09308
7875.0000 -47.77055 -47.13808 0.63247 1.61019 -47.13603 250.26477
7880.0000 -47.68514 -46.69757 0.98757 1.62499 -47.02701 271.17298
7885.0000 -47.75707 -46.78126 0.97581 1.69165 -46.53581 354.96730
7890.0000 -47.64495 -46.94255 0.70241 1.64834 -46.85489 293.91229
7895.0000 -47.67291 -46.78834 0.88456 1.65950 -46.77271 321.37481
7900.0000 -47.65151 -46.92733 0.72419 1.64883 -46.85130 301.18106
7905.0000 -47.86278 -46.98970 0.87309 1.63205 -46.97492 270.35571
7910.0000 -47.50274 -46.78751 0.71523 1.65772 -46.78578 303.12592
7915.0000 -47.76317 -47.26277 0.50040 1.62789 -47.00563 263.06466
7920.0000 -47.78526 -47.04437 0.74089 1.60898 -47.14494 236.37462
7925.0000 -47.57695 -46.77611 0.80084 1.64507 -46.87905 298.26943
7930.0000 -47.81463 -47.04147 0.77316 1.65105 -46.83497 307.18188
7935.0000 -47.40919 -46.72462 0.68458 1.65110 -46.83457 304.80656
7940.0000 -47.74238 -46.87994 0.86244 1.64920 -46.84856 304.09064
7945.0000 -47.62376 -47.02431 0.59944 1.63315 -46.96687 273.05772
7950.0000 -47.47050 -46.67331 0.79718 1.63703 -46.93827 277.64794
7955.0000 -47.49002 -46.76834 0.72168 1.66434 -46.73702 312.50510
7960.0000 -47.61045 -46.84992 0.76053 1.67273 -46.67520 341.62245
7965.0000 -47.34852 -46.47168 0.87684 1.64796 -46.85771 309.90088
7970.0000 -47.58673 -46.52044 1.06629 1.70674 -46.42461 401.42379
7975.0000 -47.70711 -46.98703 0.72008 1.65493 -46.80635 313.79417
7980.0000 -47.74793 -47.28954 0.45839 1.61328 -47.11322 263.12399
7985.0000 -47.85581 -47.13591 0.71990 1.62288 -47.04248 267.19140
7990.0000 -47.71147 -46.98812 0.72335 1.61757 -47.08168 262.02806
7995.0000 -47.82192 -46.91307 0.90885 1.63907 -46.92319 289.85743
8000.0000 -47.55710 -47.03059 0.52651 1.62505 -47.02653 277.67390
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 9.9230754 [s].
main_MD> Deallocating global variables
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