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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_31/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_31.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 = 31 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: 31 3100
main_MD> Size of nv and nvoiz: 31 3100
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 = 31
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> 0.10621501293926948 -9.2931766747115507E-002 -0.23391306774989779 initial drift of cluster / NP1 for coalescence
init> 0.41919122936758674 0.32468134276201116 0.25055179568349684 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5850898706761619E-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) -0.78086 0.41699 0.21916
force_rgl> df(natom) 0.90050 -0.96087 3.08514
preparo> THERMALIZATION PROCESS AT 1117.2649173874383
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -68.310509523961272 2.5734707581744711 -70.883980282135738 5.2482520562689510E-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= 1090.0000000000000
main_MD> interactions number 1 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62543 -0.70735 -0.00091
force_rgl> df(natom) -6.69226 -1.62935 -2.51597
5.0000 -70.78046 -67.07900 3.70146 2.37025 -68.05973 912.13762
10.0000 -70.18830 -66.40461 3.78369 2.43250 -67.44541 1007.47071
15.0000 -70.30151 -64.97577 5.32574 2.53806 -66.40375 1107.15136
20.0000 -69.18795 -64.64130 4.54665 2.65913 -65.20899 1191.94259
25.0000 -70.59010 -65.82221 4.76789 2.59681 -65.82399 1131.34555
30.0000 -70.04469 -65.70307 4.34162 2.57727 -66.01684 1074.93130
35.0000 -70.70830 -66.48171 4.22659 2.62148 -65.58048 1131.78542
40.0000 -71.28818 -66.37629 4.91189 2.52457 -66.53683 1103.59028
45.0000 -71.06053 -65.85344 5.20710 2.52173 -66.56488 1077.05103
50.0000 -70.99624 -66.27450 4.72174 2.62203 -65.57505 1201.73236
55.0000 -68.97611 -65.00405 3.97205 2.57794 -66.01014 1120.86953
60.0000 -69.17378 -64.52161 4.65217 2.65838 -65.21639 1191.31092
65.0000 -70.20976 -65.72434 4.48543 2.68921 -64.91211 1185.23250
70.0000 -70.57230 -66.42991 4.14239 2.56616 -66.12642 1114.68297
75.0000 -70.12951 -64.87216 5.25735 2.55916 -66.19547 1140.90695
80.0000 -70.08763 -65.08836 4.99927 2.64662 -65.33246 1176.01663
85.0000 -69.44694 -65.05557 4.39138 2.73421 -64.46806 1203.73251
90.0000 -68.97522 -64.79744 4.17778 2.66878 -65.11379 1188.65815
95.0000 -70.53685 -65.29520 5.24166 2.74067 -64.40430 1261.67249
100.0000 -71.15106 -67.76882 3.38223 2.54483 -66.33691 1139.07560
105.0000 -70.23636 -65.07017 5.16619 2.58547 -65.93591 1133.21984
110.0000 -68.27428 -64.42093 3.85335 2.68581 -64.94568 1206.44580
115.0000 -71.05599 -67.01847 4.03752 2.62432 -65.55254 1114.73140
120.0000 -70.96986 -66.39477 4.57509 2.50608 -66.71934 1074.65396
125.0000 -70.37501 -64.98452 5.39050 2.59789 -65.81330 1130.75933
130.0000 -69.72276 -65.18343 4.53934 2.67191 -65.08288 1251.99975
135.0000 -70.93388 -66.74760 4.18629 2.53225 -66.46104 1099.44847
140.0000 -71.48456 -67.58201 3.90254 2.43527 -67.41813 1016.48603
145.0000 -71.47414 -67.12674 4.34741 2.46050 -67.16916 1052.28387
150.0000 -70.08330 -64.64980 5.43350 2.64584 -65.34017 1196.55968
155.0000 -70.83657 -66.49775 4.33882 2.56938 -66.09466 1120.02264
160.0000 -69.82510 -65.06788 4.75722 2.61866 -65.60836 1126.78183
165.0000 -69.41027 -65.21018 4.20009 2.67768 -65.02596 1193.77542
170.0000 -70.40371 -67.20245 3.20126 2.58796 -65.91132 1106.33806
175.0000 -72.25431 -68.13003 4.12428 2.42924 -67.47759 966.12916
180.0000 -72.64381 -68.92524 3.71857 2.37091 -68.05318 978.54660
185.0000 -73.21769 -69.91429 3.30340 2.25940 -69.15362 880.25323
190.0000 -71.72492 -68.76654 2.95838 2.24298 -69.31570 826.59985
195.0000 -71.14365 -66.11440 5.02925 2.40285 -67.73801 948.58739
200.0000 -70.21115 -65.83612 4.37502 2.55418 -66.24469 1101.43063
205.0000 -68.46218 -64.45162 4.01056 2.60718 -65.72168 1151.35566
210.0000 -70.45427 -64.37599 6.07828 2.70372 -64.76899 1216.86599
215.0000 -70.34964 -66.35280 3.99683 2.58635 -65.92721 1143.07216
220.0000 -72.25740 -67.77743 4.47997 2.45437 -67.22962 1023.05268
225.0000 -70.02952 -65.23323 4.79629 2.47302 -67.04553 1075.81132
230.0000 -70.09893 -66.11815 3.98078 2.57031 -66.08548 1053.13897
235.0000 -69.08764 -64.25227 4.83538 2.68118 -64.99140 1250.46896
240.0000 -68.51999 -64.07345 4.44654 2.70909 -64.71593 1192.81132
245.0000 -69.51116 -65.01850 4.49266 2.74919 -64.32021 1265.80858
250.0000 -71.67878 -68.07697 3.60181 2.51310 -66.65000 992.93755
FREEZING PROCESS: loop number 2 T-loop= 1065.0000000000000
main_MD> interactions number 2 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78674 -1.80123 -4.26565
force_rgl> df(natom) -7.69042 0.15086 1.64859
255.0000 -71.18454 -67.16147 4.02307 2.33183 -68.43890 869.72794
260.0000 -70.53888 -67.22934 3.30953 2.43479 -67.42282 977.04244
265.0000 -71.89831 -67.35974 4.53857 2.43720 -67.39902 987.25856
270.0000 -71.27432 -66.78323 4.49110 2.48769 -66.90081 1026.30531
275.0000 -72.09358 -67.75862 4.33497 2.40720 -67.69506 959.61663
280.0000 -72.53146 -67.68153 4.84992 2.38399 -67.92417 981.20126
285.0000 -70.87753 -67.27440 3.60313 2.45365 -67.23674 1012.03530
290.0000 -71.06353 -67.79570 3.26783 2.46352 -67.13936 1049.78771
295.0000 -71.47024 -67.42176 4.04848 2.40553 -67.71161 992.72422
300.0000 -70.46985 -66.17832 4.29153 2.50595 -66.72064 1024.98907
305.0000 -70.84244 -64.87539 5.96705 2.56897 -66.09873 1122.39958
310.0000 -71.13389 -66.26011 4.87378 2.62278 -65.56765 1171.97773
315.0000 -70.98821 -66.51854 4.46968 2.54556 -66.32968 1109.83634
320.0000 -70.45308 -66.62672 3.82636 2.46203 -67.15406 987.45002
325.0000 -69.74349 -64.57499 5.16850 2.56107 -66.17671 1081.25898
330.0000 -70.03940 -65.19339 4.84601 2.76927 -64.12210 1308.65901
335.0000 -70.19879 -65.55173 4.64706 2.71401 -64.66738 1291.76267
340.0000 -70.24313 -66.18575 4.05738 2.61324 -65.66185 1155.56099
345.0000 -69.56385 -66.06072 3.50313 2.56609 -66.12711 1132.42229
350.0000 -70.37389 -64.48880 5.88510 2.59518 -65.84003 1145.69419
355.0000 -70.84919 -66.54463 4.30456 2.54286 -66.35637 1070.25511
360.0000 -71.23352 -66.27717 4.95635 2.53226 -66.46099 1079.00241
365.0000 -70.11662 -66.84198 3.27464 2.48008 -66.97587 1046.80122
370.0000 -70.48992 -65.57710 4.91282 2.63468 -65.45021 1135.04608
375.0000 -71.38420 -67.70861 3.67559 2.53826 -66.40173 1101.28457
380.0000 -71.36915 -67.36048 4.00867 2.37714 -67.99176 955.05281
385.0000 -70.52783 -66.67606 3.85177 2.52375 -66.54499 1032.29804
390.0000 -71.20399 -67.14102 4.06297 2.48685 -66.90911 1040.77157
395.0000 -72.14744 -67.98427 4.16317 2.45179 -67.25503 997.46549
400.0000 -72.03843 -66.83749 5.20093 2.41435 -67.62449 946.01819
405.0000 -71.65881 -66.51409 5.14472 2.53883 -66.39616 1088.15128
410.0000 -71.48296 -67.18912 4.29384 2.49115 -66.86663 1034.05128
415.0000 -71.59703 -66.89599 4.70104 2.47109 -67.06460 1010.87043
420.0000 -70.01469 -66.81164 3.20305 2.51038 -66.67691 1102.73402
425.0000 -71.43644 -68.06197 3.37447 2.44220 -67.34966 1005.98681
430.0000 -69.79405 -66.36043 3.43362 2.43722 -67.39883 976.27144
435.0000 -70.75074 -63.58914 7.16160 2.66267 -65.17405 1204.30706
440.0000 -69.59053 -65.01909 4.57144 2.75025 -64.30976 1255.59199
445.0000 -70.93835 -66.16087 4.77748 2.60207 -65.77205 1106.63236
450.0000 -70.15798 -66.10639 4.05159 2.61315 -65.66268 1115.76731
455.0000 -70.95093 -66.48328 4.46765 2.53868 -66.39760 1053.41289
460.0000 -70.00791 -64.64651 5.36139 2.67495 -65.05288 1232.29289
465.0000 -71.82289 -66.85621 4.96667 2.57201 -66.06874 1083.09040
470.0000 -70.12761 -66.16117 3.96644 2.53621 -66.42201 1110.91504
475.0000 -70.18658 -65.69981 4.48677 2.56000 -66.18722 1122.07573
480.0000 -71.87912 -67.68750 4.19162 2.51566 -66.62480 1090.22886
485.0000 -71.78109 -66.62520 5.15589 2.47772 -66.99922 1068.42934
490.0000 -70.94467 -66.17070 4.77396 2.54772 -66.30840 1099.61429
495.0000 -70.95400 -66.76825 4.18575 2.57478 -66.04141 1161.66386
500.0000 -71.33983 -66.62831 4.71151 2.46710 -67.10401 1062.24737
FREEZING PROCESS: loop number 3 T-loop= 1040.0000000000000
main_MD> interactions number 3 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11159 -3.04174 -2.41717
force_rgl> df(natom) -1.89595 -0.05536 -2.39365
505.0000 -70.37011 -66.66565 3.70446 2.46906 -67.08464 1008.28133
510.0000 -70.65435 -66.35554 4.29881 2.52633 -66.51944 1056.95997
515.0000 -71.39512 -67.51693 3.87819 2.52099 -66.57222 1106.27219
520.0000 -70.26877 -66.65730 3.61147 2.43757 -67.39538 982.37087
525.0000 -70.30216 -66.63019 3.67197 2.54320 -66.35303 1064.28246
530.0000 -69.96263 -67.07852 2.88410 2.49981 -66.78118 1112.51377
535.0000 -70.54861 -65.02844 5.52017 2.61567 -65.63787 1198.75819
540.0000 -70.70136 -66.06802 4.63334 2.62523 -65.54349 1166.66111
545.0000 -70.72664 -64.86851 5.85813 2.61710 -65.62374 1142.00764
550.0000 -70.03271 -66.57037 3.46234 2.63799 -65.41757 1128.66533
555.0000 -70.70511 -65.17179 5.53331 2.65299 -65.26954 1173.75318
560.0000 -70.05286 -67.00726 3.04559 2.60406 -65.75247 1115.76609
565.0000 -70.18317 -67.00889 3.17428 2.52238 -66.55851 1012.14057
570.0000 -71.02342 -67.46639 3.55703 2.49135 -66.86472 1035.25230
575.0000 -70.89794 -65.65900 5.23893 2.47049 -67.07051 1001.83283
580.0000 -70.97284 -67.77763 3.19522 2.50675 -66.71276 1059.48919
585.0000 -71.12297 -67.49203 3.63094 2.39974 -67.76867 976.16131
590.0000 -72.71796 -67.88128 4.83669 2.41555 -67.61266 991.15228
595.0000 -70.33178 -65.43674 4.89503 2.51157 -66.66510 1098.44464
600.0000 -70.32653 -65.84161 4.48491 2.69115 -64.89298 1193.98997
605.0000 -70.21854 -65.45681 4.76173 2.60936 -65.70012 1106.65476
610.0000 -70.79001 -66.25810 4.53191 2.63216 -65.47510 1137.45305
615.0000 -71.07629 -67.92513 3.15116 2.50165 -66.76305 1008.12643
620.0000 -71.19358 -67.74800 3.44558 2.35363 -68.22376 861.13139
625.0000 -70.73397 -67.03486 3.69911 2.48492 -66.92809 1017.47198
630.0000 -70.85205 -66.38609 4.46596 2.46701 -67.10486 1027.69557
635.0000 -72.36827 -68.86218 3.50609 2.43734 -67.39769 1005.88356
640.0000 -70.63318 -67.04688 3.58630 2.43196 -67.45078 957.84679
645.0000 -71.07756 -65.89688 5.18068 2.46143 -67.15995 1018.29538
650.0000 -72.17447 -67.43927 4.73520 2.52667 -66.51618 1037.02507
655.0000 -72.20318 -68.37034 3.83284 2.39168 -67.84824 992.38093
660.0000 -71.77377 -68.01773 3.75604 2.38841 -67.88051 954.15470
665.0000 -71.41940 -66.96674 4.45266 2.36855 -68.07648 884.68818
670.0000 -69.69374 -65.06214 4.63161 2.51932 -66.58865 1034.41416
675.0000 -68.15353 -64.33530 3.81823 2.66197 -65.18094 1165.06779
680.0000 -70.14256 -65.06528 5.07727 2.73439 -64.46630 1273.43217
685.0000 -70.17490 -66.39349 3.78141 2.63610 -65.43625 1159.65189
690.0000 -71.71799 -68.06166 3.65633 2.50826 -66.69782 1041.31257
695.0000 -70.74595 -65.57218 5.17377 2.48521 -66.92522 1026.49375
700.0000 -71.33565 -66.50439 4.83126 2.62262 -65.56924 1160.57671
705.0000 -71.81147 -68.00475 3.80673 2.46367 -67.13779 1062.86508
710.0000 -71.56785 -67.88093 3.68692 2.35054 -68.25421 937.86788
715.0000 -72.14453 -67.62460 4.51993 2.37048 -68.05749 964.85273
720.0000 -71.49754 -67.35157 4.14597 2.43612 -67.40970 1003.48129
725.0000 -69.68477 -66.33436 3.35042 2.52536 -66.52910 1088.19808
730.0000 -71.80679 -67.34337 4.46341 2.55052 -66.28077 1052.39340
735.0000 -72.02490 -67.79958 4.22532 2.42970 -67.47308 931.31209
740.0000 -70.72815 -66.04945 4.67870 2.47675 -67.00877 1029.32077
745.0000 -70.02381 -64.44303 5.58078 2.61342 -65.66003 1183.79155
750.0000 -69.66889 -65.19161 4.47727 2.74256 -64.38568 1257.92636
FREEZING PROCESS: loop number 4 T-loop= 1015.0000000000000
main_MD> interactions number 4 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.11680 -1.02868 0.31150
force_rgl> df(natom) -3.37588 1.77967 -4.25738
755.0000 -71.07694 -67.30088 3.77607 2.53215 -66.46209 1082.59741
760.0000 -71.36261 -67.40171 3.96090 2.51367 -66.64440 1049.64822
765.0000 -72.06011 -68.77650 3.28361 2.35235 -68.23635 866.41341
770.0000 -71.48353 -66.66627 4.81726 2.39380 -67.82728 986.72399
775.0000 -69.98504 -65.97614 4.00890 2.51019 -66.67879 1097.42752
780.0000 -72.09702 -67.53302 4.56400 2.50330 -66.74671 1054.71074
785.0000 -71.37048 -66.67303 4.69746 2.50249 -66.75479 1130.62502
790.0000 -70.89663 -66.43309 4.46354 2.54437 -66.34145 1116.07217
795.0000 -72.14582 -68.69214 3.45368 2.50312 -66.74851 1037.14502
800.0000 -72.10550 -68.62971 3.47579 2.34858 -68.27361 960.45609
805.0000 -71.83172 -68.09271 3.73902 2.35769 -68.18371 936.33568
810.0000 -73.11952 -67.89673 5.22279 2.43060 -67.46414 1003.46068
815.0000 -72.48770 -68.87800 3.60969 2.36763 -68.08561 951.29145
820.0000 -72.38192 -69.16555 3.21637 2.26652 -69.08333 844.07327
825.0000 -71.94549 -67.04588 4.89962 2.37088 -68.05354 931.94019
830.0000 -71.11564 -67.17737 3.93827 2.47934 -66.98321 1020.73985
835.0000 -70.94070 -66.09638 4.84432 2.55375 -66.24886 1101.51689
840.0000 -71.47202 -67.49057 3.98146 2.57791 -66.01050 1129.57091
845.0000 -71.65214 -67.63105 4.02109 2.46959 -67.07941 1037.94568
850.0000 -70.97521 -67.43590 3.53932 2.42614 -67.50823 977.89374
855.0000 -71.34724 -67.02813 4.31911 2.48053 -66.97148 1027.21728
860.0000 -71.07581 -67.62921 3.44660 2.45583 -67.21524 999.21421
865.0000 -71.08730 -66.87783 4.20947 2.45338 -67.23940 966.35737
870.0000 -70.45688 -65.06331 5.39358 2.57367 -66.05233 1123.11974
875.0000 -71.38024 -66.17804 5.20220 2.59262 -65.86535 1131.05679
880.0000 -69.50126 -65.00590 4.49537 2.56411 -66.14664 1065.12872
885.0000 -69.90906 -65.62850 4.28056 2.65915 -65.20876 1208.69643
890.0000 -71.88650 -66.87580 5.01071 2.55478 -66.23873 1118.86900
895.0000 -70.15156 -65.41054 4.74102 2.55792 -66.20776 1120.85505
900.0000 -70.13547 -65.68953 4.44593 2.67360 -65.06615 1151.28326
905.0000 -70.60880 -66.37796 4.23084 2.64831 -65.31575 1151.24998
910.0000 -70.64439 -66.47079 4.17359 2.51176 -66.66326 1029.91790
915.0000 -71.32338 -67.30124 4.02214 2.55299 -66.25638 1081.88773
920.0000 -71.05504 -67.29108 3.76396 2.42869 -67.48298 943.85246
925.0000 -69.94914 -66.68178 3.26736 2.46686 -67.10634 1055.56491
930.0000 -71.97855 -67.71199 4.26656 2.49730 -66.80599 988.91113
935.0000 -71.58958 -68.07983 3.50976 2.40360 -67.73058 944.33813
940.0000 -70.45440 -67.03230 3.42210 2.43093 -67.46093 1007.53765
945.0000 -70.28503 -66.47467 3.81035 2.45498 -67.22355 985.81237
950.0000 -71.13494 -66.79672 4.33822 2.52118 -66.57031 1047.83440
955.0000 -70.45654 -65.92275 4.53380 2.58413 -65.94913 1155.35778
960.0000 -71.45338 -67.47366 3.97972 2.51437 -66.63747 1072.47263
965.0000 -73.02826 -69.51803 3.51023 2.35056 -68.25406 892.40705
970.0000 -72.34811 -68.63862 3.70949 2.26855 -69.06331 882.04843
975.0000 -72.62772 -67.67329 4.95444 2.37625 -68.00051 974.00620
980.0000 -69.89319 -66.46033 3.43286 2.49668 -66.81212 1056.93447
985.0000 -70.02550 -66.17229 3.85321 2.56191 -66.16833 1095.44348
990.0000 -69.98510 -65.83866 4.14644 2.55527 -66.23390 1075.27505
995.0000 -70.37946 -65.29383 5.08563 2.59667 -65.82536 1136.55047
1000.0000 -71.77539 -66.70355 5.07184 2.56178 -66.16964 1142.03473
FREEZING PROCESS: loop number 5 T-loop= 990.00000000000000
main_MD> interactions number 5 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30075 -0.33648 -4.17222
force_rgl> df(natom) 0.02932 -0.62677 0.41169
1005.0000 -70.98945 -66.96830 4.02115 2.46393 -67.13522 964.10843
1010.0000 -71.29050 -67.56838 3.72213 2.38445 -67.91959 952.06378
1015.0000 -72.04920 -68.89670 3.15250 2.36585 -68.10320 913.33120
1020.0000 -72.85551 -69.36897 3.48654 2.28251 -68.92558 887.78629
1025.0000 -71.76388 -68.42313 3.34076 2.35475 -68.21266 929.03511
1030.0000 -71.72948 -68.50181 3.22767 2.33567 -68.40097 943.63530
1035.0000 -71.84269 -67.81569 4.02699 2.39993 -67.76685 968.16074
1040.0000 -69.84491 -67.08130 2.76361 2.44961 -67.27663 1015.70114
1045.0000 -71.01158 -67.20148 3.81011 2.48162 -66.96072 1003.72164
1050.0000 -70.47248 -67.20941 3.26307 2.46182 -67.15606 998.28931
1055.0000 -70.94967 -67.33165 3.61801 2.48176 -66.95933 1077.66047
1060.0000 -71.11166 -66.71234 4.39933 2.48723 -66.90537 1016.60999
1065.0000 -69.93612 -66.05948 3.87664 2.48697 -66.90791 1063.02319
1070.0000 -71.59802 -68.32767 3.27036 2.50973 -66.68330 1102.26514
1075.0000 -73.28593 -69.31851 3.96742 2.30464 -68.70721 861.76922
1080.0000 -72.16200 -66.01872 6.14329 2.36163 -68.14477 961.49625
1085.0000 -70.96321 -66.70615 4.25706 2.50439 -66.73596 1040.11640
1090.0000 -71.39940 -66.90230 4.49710 2.52263 -66.55598 1091.33589
1095.0000 -71.05131 -67.69374 3.35757 2.35215 -68.23834 944.98945
1100.0000 -70.26280 -66.44322 3.81958 2.47326 -67.04317 1024.34992
1105.0000 -71.57031 -68.26156 3.30875 2.45789 -67.19487 977.31736
1110.0000 -72.23058 -67.89021 4.34036 2.31145 -68.63995 914.37704
1115.0000 -72.46597 -69.22506 3.24090 2.37633 -67.99973 968.32644
1120.0000 -71.56106 -67.94299 3.61807 2.26976 -69.05141 857.76078
1125.0000 -72.16719 -68.28373 3.88346 2.42496 -67.51979 998.99215
1130.0000 -71.95031 -67.95703 3.99329 2.36107 -68.15030 921.46953
1135.0000 -72.22436 -68.55501 3.66935 2.33324 -68.42499 909.74695
1140.0000 -72.76214 -69.38342 3.37872 2.26102 -69.13766 831.16037
1145.0000 -71.46576 -67.53368 3.93208 2.31999 -68.55568 915.38028
1150.0000 -71.04370 -66.51430 4.52940 2.50403 -66.73959 1047.75360
1155.0000 -71.86442 -68.19085 3.67358 2.42613 -67.50825 973.95306
1160.0000 -70.35170 -66.89333 3.45837 2.43641 -67.40686 961.58776
1165.0000 -71.17645 -66.75966 4.41679 2.50683 -66.71193 1044.55948
1170.0000 -71.59617 -66.96923 4.62694 2.38671 -67.89725 975.63592
1175.0000 -71.57718 -66.97401 4.60317 2.49140 -66.86418 1048.55390
1180.0000 -71.72799 -69.12206 2.60593 2.41005 -67.66694 965.74332
1185.0000 -70.72315 -67.26847 3.45468 2.33172 -68.43992 862.58247
1190.0000 -71.01797 -67.90939 3.10858 2.42416 -67.52775 970.51404
1195.0000 -71.74380 -67.34675 4.39705 2.36570 -68.10461 910.53426
1200.0000 -70.58041 -67.02074 3.55967 2.44347 -67.33715 996.96899
1205.0000 -71.80096 -67.53622 4.26474 2.44461 -67.32588 1087.41035
1210.0000 -71.83193 -67.77489 4.05704 2.43724 -67.39866 994.45253
1215.0000 -71.50126 -67.54858 3.95268 2.47146 -67.06096 1023.61715
1220.0000 -70.56884 -66.72001 3.84883 2.47694 -67.00691 996.46837
1225.0000 -71.20390 -66.82356 4.38033 2.46360 -67.13848 972.03153
1230.0000 -70.52098 -67.03464 3.48634 2.45792 -67.19457 1021.57804
1235.0000 -71.05965 -67.68718 3.37247 2.48874 -66.89046 1078.03712
1240.0000 -72.35116 -67.72148 4.62969 2.47856 -66.99090 1070.00132
1245.0000 -70.25036 -66.65619 3.59417 2.40027 -67.76348 958.87228
1250.0000 -71.00700 -67.76456 3.24245 2.47491 -67.02695 1033.93151
FREEZING PROCESS: loop number 6 T-loop= 965.00000000000000
main_MD> interactions number 6 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23752 2.31848 3.54758
force_rgl> df(natom) -2.95118 1.44884 0.04101
1255.0000 -72.11384 -67.29752 4.81632 2.51409 -66.64030 1081.37118
1260.0000 -71.25265 -67.88631 3.36634 2.40138 -67.75256 936.60867
1265.0000 -72.07426 -68.40282 3.67144 2.33638 -68.39395 854.60133
1270.0000 -70.91544 -68.64188 2.27356 2.37342 -68.02845 922.00068
1275.0000 -72.49557 -68.86861 3.62696 2.28029 -68.94745 846.72728
1280.0000 -72.68604 -68.99504 3.69100 2.25780 -69.16942 840.75556
1285.0000 -70.91313 -67.12890 3.78423 2.35899 -68.17084 966.80253
1290.0000 -70.55105 -66.55308 3.99797 2.49689 -66.81002 1089.35450
1295.0000 -71.53786 -67.95817 3.57969 2.40383 -67.72831 934.32764
1300.0000 -72.32054 -67.80726 4.51328 2.34109 -68.34753 909.42689
1305.0000 -71.13062 -67.12933 4.00129 2.46932 -67.08204 1018.51173
1310.0000 -71.85558 -67.26805 4.58753 2.43558 -67.41504 950.79553
1315.0000 -71.71517 -67.71143 4.00374 2.45296 -67.24357 987.90479
1320.0000 -71.63034 -67.43301 4.19732 2.42508 -67.51870 1034.09016
1325.0000 -72.37660 -66.87318 5.50342 2.50753 -66.70499 1098.94085
1330.0000 -71.34566 -67.03972 4.30593 2.48190 -66.95789 1044.32289
1335.0000 -71.49049 -67.68127 3.80922 2.44828 -67.28971 1035.53297
1340.0000 -70.46095 -67.10074 3.36021 2.43520 -67.41882 980.71236
1345.0000 -72.51947 -67.55077 4.96870 2.44668 -67.30547 998.94584
1350.0000 -71.03591 -67.10863 3.92729 2.48147 -66.96220 996.40988
1355.0000 -71.69995 -67.78056 3.91938 2.40161 -67.75026 956.16995
1360.0000 -71.76705 -68.28417 3.48288 2.44072 -67.36428 1016.98309
1365.0000 -71.81071 -67.68809 4.12262 2.34046 -68.35368 903.90712
1370.0000 -71.89858 -67.26634 4.63224 2.45553 -67.21820 1007.65602
1375.0000 -71.12575 -68.03251 3.09323 2.45575 -67.21598 1005.08429
1380.0000 -72.44754 -69.02417 3.42337 2.34085 -68.34984 870.62424
1385.0000 -72.11768 -68.72992 3.38776 2.30064 -68.74662 825.24374
1390.0000 -71.88987 -68.20123 3.68864 2.35423 -68.21785 906.37913
1395.0000 -72.30695 -68.81815 3.48879 2.26119 -69.13598 862.75552
1400.0000 -71.23530 -66.96880 4.26649 2.41281 -67.63969 979.56197
1405.0000 -70.66401 -67.36917 3.29484 2.44911 -67.28154 943.21043
1410.0000 -70.23658 -67.11685 3.11973 2.47231 -67.05255 1043.37613
1415.0000 -70.20071 -65.20733 4.99338 2.51230 -66.65791 1040.43943
1420.0000 -70.74286 -67.22845 3.51441 2.51699 -66.61163 1072.95463
1425.0000 -70.85592 -66.89189 3.96403 2.46545 -67.12023 983.56384
1430.0000 -71.60166 -68.01018 3.59148 2.40747 -67.69248 979.42946
1435.0000 -72.14455 -67.82108 4.32346 2.34832 -68.27618 913.61081
1440.0000 -71.64900 -67.34436 4.30464 2.40060 -67.76023 1005.90095
1445.0000 -70.77273 -67.34947 3.42326 2.45878 -67.18606 1067.33101
1450.0000 -71.56318 -68.37710 3.18608 2.36297 -68.13154 899.90630
1455.0000 -71.90560 -68.12346 3.78214 2.41198 -67.64791 928.56209
1460.0000 -71.93106 -68.48080 3.45027 2.33252 -68.43210 921.70390
1465.0000 -72.69036 -67.32213 5.36823 2.39439 -67.82153 1021.15964
1470.0000 -71.84332 -67.11652 4.72680 2.42474 -67.52202 1031.08595
1475.0000 -71.55533 -67.12717 4.42815 2.47289 -67.04683 953.69451
1480.0000 -69.64911 -65.77824 3.87087 2.50640 -66.71617 1006.58606
1485.0000 -70.61763 -66.71983 3.89779 2.54438 -66.34132 1077.10773
1490.0000 -71.89937 -68.33206 3.56731 2.39124 -67.85256 937.96923
1495.0000 -72.35350 -68.45985 3.89365 2.34527 -68.30624 898.17042
1500.0000 -72.25251 -68.25823 3.99428 2.33511 -68.40654 920.00700
FREEZING PROCESS: loop number 7 T-loop= 940.00000000000000
main_MD> interactions number 7 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.70285 -2.10889 1.33910
force_rgl> df(natom) -0.46535 -0.41630 -0.24784
1505.0000 -72.43448 -69.04894 3.38554 2.27707 -68.97928 872.61741
1510.0000 -72.99068 -69.32445 3.66623 2.32459 -68.51030 922.77663
1515.0000 -72.87643 -68.52528 4.35115 2.33452 -68.41234 926.12261
1520.0000 -71.21491 -66.85453 4.36038 2.43559 -67.41493 997.65464
1525.0000 -71.43857 -67.91851 3.52007 2.40974 -67.67005 973.00482
1530.0000 -71.40599 -67.58781 3.81819 2.37606 -68.00237 950.48997
1535.0000 -72.49509 -68.58169 3.91340 2.40745 -67.69259 946.31255
1540.0000 -72.57314 -67.73930 4.83385 2.36174 -68.14372 930.88408
1545.0000 -71.53144 -68.12436 3.40709 2.34014 -68.35686 931.68844
1550.0000 -73.24599 -69.46974 3.77625 2.36040 -68.15689 942.03641
1555.0000 -72.30834 -68.20015 4.10820 2.30709 -68.68299 916.49493
1560.0000 -71.40806 -68.51553 2.89253 2.30013 -68.75169 860.92624
1565.0000 -72.21712 -68.98610 3.23102 2.24622 -69.28370 790.54950
1570.0000 -72.23961 -68.46244 3.77717 2.35307 -68.22928 949.11528
1575.0000 -70.94971 -67.48687 3.46284 2.39120 -67.85296 937.87548
1580.0000 -71.57915 -68.13117 3.44799 2.36226 -68.13859 914.81192
1585.0000 -70.75101 -66.15358 4.59744 2.48587 -66.91875 942.36791
1590.0000 -71.53417 -67.39289 4.14128 2.45265 -67.24656 1022.07635
1595.0000 -71.51180 -67.97332 3.53848 2.35045 -68.25513 922.95489
1600.0000 -70.88610 -67.42802 3.45808 2.39329 -67.83235 941.75229
1605.0000 -72.10526 -67.82530 4.27996 2.40644 -67.70262 985.83094
1610.0000 -71.32357 -68.77127 2.55230 2.36996 -68.06260 893.98068
1615.0000 -70.67018 -66.65054 4.01964 2.37613 -68.00166 986.34874
1620.0000 -71.96833 -68.04556 3.92277 2.38894 -67.87527 942.12213
1625.0000 -70.94363 -66.29910 4.64453 2.50936 -66.68691 1031.94407
1630.0000 -70.93786 -65.68446 5.25340 2.56443 -66.14347 1119.72222
1635.0000 -71.18244 -66.97515 4.20729 2.56754 -66.11279 1095.45534
1640.0000 -72.22680 -68.57226 3.65454 2.37664 -67.99662 897.10734
1645.0000 -72.07591 -68.09837 3.97754 2.35481 -68.21207 911.71846
1650.0000 -70.40230 -66.03620 4.36610 2.52711 -66.51175 1076.52664
1655.0000 -71.94041 -67.58994 4.35047 2.48483 -66.92906 1029.25507
1660.0000 -72.24247 -68.37225 3.87022 2.42123 -67.55668 995.18118
1665.0000 -71.50978 -67.14682 4.36295 2.44998 -67.27293 1005.74933
1670.0000 -71.79688 -67.71358 4.08330 2.47229 -67.05272 983.90937
1675.0000 -71.85279 -67.73609 4.11670 2.35097 -68.25004 916.38382
1680.0000 -71.52904 -68.06958 3.45946 2.34789 -68.28035 899.75474
1685.0000 -72.78008 -68.46458 4.31550 2.39116 -67.85335 937.57249
1690.0000 -72.77738 -68.87470 3.90268 2.28615 -68.88961 811.49075
1695.0000 -72.23219 -68.25346 3.97873 2.35425 -68.21760 938.41797
1700.0000 -71.81077 -68.39300 3.41777 2.33170 -68.44010 922.21366
1705.0000 -72.13936 -67.99087 4.14849 2.39418 -67.82359 977.41618
1710.0000 -70.50725 -65.87084 4.63640 2.51685 -66.61307 1072.41212
1715.0000 -70.95244 -66.85571 4.09673 2.49213 -66.85696 1062.17582
1720.0000 -70.35027 -66.05109 4.29918 2.54259 -66.35908 1073.77790
1725.0000 -70.94891 -67.28690 3.66201 2.47043 -67.07117 981.82915
1730.0000 -71.28506 -68.20561 3.07945 2.49579 -66.82083 1080.79778
1735.0000 -70.98647 -68.18327 2.80320 2.29457 -68.80660 880.92756
1740.0000 -69.99790 -65.18220 4.81570 2.49537 -66.82499 1072.68550
1745.0000 -70.78732 -65.93500 4.85233 2.63478 -65.44924 1185.09006
1750.0000 -71.87299 -67.82819 4.04480 2.51425 -66.63865 1027.60115
FREEZING PROCESS: loop number 8 T-loop= 915.00000000000000
main_MD> interactions number 8 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44181 -0.33551 -2.70355
force_rgl> df(natom) -1.02871 -2.15274 -0.30852
1755.0000 -71.15635 -68.41466 2.74169 2.39568 -67.80879 952.56183
1760.0000 -72.56712 -68.40214 4.16498 2.36811 -68.08084 949.49554
1765.0000 -72.68442 -67.77169 4.91273 2.37776 -67.98558 907.09753
1770.0000 -71.74876 -67.85115 3.89761 2.37519 -68.01096 973.88819
1775.0000 -71.94788 -67.71000 4.23789 2.41373 -67.63070 935.89207
1780.0000 -71.72442 -68.36700 3.35742 2.40983 -67.66912 935.78928
1785.0000 -72.73601 -69.06682 3.66919 2.31786 -68.57674 888.84755
1790.0000 -72.08728 -68.45253 3.63475 2.25151 -69.23152 811.61953
1795.0000 -71.96611 -68.80015 3.16597 2.32713 -68.48526 906.50167
1800.0000 -71.51741 -68.12928 3.38813 2.39134 -67.85164 1005.68708
1805.0000 -72.50681 -68.15545 4.35136 2.33625 -68.39522 877.59866
1810.0000 -73.20213 -68.17536 5.02677 2.38410 -67.92306 981.24004
1815.0000 -70.82587 -66.68783 4.13805 2.39713 -67.79450 954.27037
1820.0000 -72.03559 -66.66544 5.37015 2.50864 -66.69407 1008.31501
1825.0000 -71.63818 -68.06548 3.57270 2.39368 -67.82848 974.72224
1830.0000 -72.36986 -68.56951 3.80035 2.37650 -67.99804 1004.68852
1835.0000 -72.28428 -68.66260 3.62168 2.34662 -68.29294 901.68488
1840.0000 -72.08897 -69.04658 3.04239 2.32515 -68.50479 911.59158
1845.0000 -72.50183 -68.34296 4.15887 2.27775 -68.97256 822.15644
1850.0000 -71.87721 -68.67551 3.20171 2.31051 -68.64928 891.93251
1855.0000 -71.95888 -67.76994 4.18894 2.33764 -68.38153 928.29887
1860.0000 -71.62402 -68.03885 3.58517 2.33937 -68.36443 917.04850
1865.0000 -71.69088 -68.77297 2.91791 2.31530 -68.60202 897.81731
1870.0000 -71.30837 -68.45024 2.85812 2.30796 -68.67447 902.07121
1875.0000 -72.36266 -68.83839 3.52428 2.30675 -68.68633 888.85871
1880.0000 -72.54335 -68.53808 4.00527 2.31069 -68.64749 893.48614
1885.0000 -71.77966 -68.46370 3.31596 2.38140 -67.94965 949.59684
1890.0000 -71.82520 -68.42880 3.39640 2.29016 -68.85009 806.99676
1895.0000 -72.48101 -68.55986 3.92115 2.31818 -68.57357 886.64151
1900.0000 -72.24699 -68.05203 4.19496 2.32456 -68.51060 896.89633
1905.0000 -71.47506 -66.64876 4.82630 2.40077 -67.75857 941.78290
1910.0000 -70.97993 -66.99444 3.98549 2.52642 -66.51864 1024.05824
1915.0000 -70.09851 -66.21137 3.88714 2.52067 -66.57534 1064.92383
1920.0000 -71.14685 -67.59694 3.54991 2.40978 -67.66959 969.27348
1925.0000 -72.30853 -68.49808 3.81046 2.33065 -68.45050 899.19137
1930.0000 -71.74422 -67.46067 4.28355 2.40963 -67.67113 953.83630
1935.0000 -71.16655 -67.85204 3.31451 2.40629 -67.70409 991.92580
1940.0000 -71.57837 -67.76173 3.81664 2.32538 -68.50254 910.74533
1945.0000 -71.59979 -66.54390 5.05589 2.37083 -68.05400 918.39253
1950.0000 -70.81678 -67.07491 3.74187 2.44249 -67.34681 1018.49047
1955.0000 -71.21279 -66.81976 4.39303 2.48760 -66.90166 1065.75538
1960.0000 -71.26091 -66.90067 4.36024 2.45594 -67.21410 967.23836
1965.0000 -71.62297 -68.54054 3.08242 2.42100 -67.55887 986.60742
1970.0000 -72.00690 -68.06992 3.93698 2.36345 -68.12679 932.52544
1975.0000 -72.65126 -69.52766 3.12360 2.30937 -68.66051 909.20551
1980.0000 -72.03688 -67.82272 4.21416 2.26669 -69.08169 813.73471
1985.0000 -71.89234 -67.19425 4.69809 2.38245 -67.93934 947.33090
1990.0000 -71.83497 -67.60326 4.23170 2.35927 -68.16813 951.21657
1995.0000 -70.90697 -67.36065 3.54632 2.45257 -67.24740 997.15600
2000.0000 -72.59677 -68.80973 3.78704 2.31913 -68.56419 841.60600
FREEZING PROCESS: loop number 9 T-loop= 890.00000000000000
main_MD> interactions number 9 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83392 1.91168 -4.54987
force_rgl> df(natom) -0.77415 -1.17805 1.47712
2005.0000 -72.17841 -68.14791 4.03049 2.33670 -68.39081 937.98638
2010.0000 -71.80551 -67.84763 3.95788 2.44653 -67.30694 1026.68825
2015.0000 -71.32592 -67.47098 3.85495 2.41806 -67.58795 965.12509
2020.0000 -71.93480 -68.83311 3.10169 2.43565 -67.41430 927.94250
2025.0000 -71.87806 -68.49853 3.37953 2.35293 -68.23064 895.16139
2030.0000 -72.13743 -69.30730 2.83013 2.28525 -68.89854 858.70809
2035.0000 -71.71196 -67.65062 4.06133 2.34949 -68.26458 908.48009
2040.0000 -71.74975 -69.38970 2.36005 2.38424 -67.92167 961.16341
2045.0000 -71.65886 -68.27681 3.38205 2.31401 -68.61475 825.89008
2050.0000 -71.78365 -68.11354 3.67010 2.33840 -68.37404 932.32048
2055.0000 -71.04895 -68.19024 2.85871 2.31422 -68.61263 821.83486
2060.0000 -71.85080 -68.75349 3.09731 2.36170 -68.14414 935.73546
2065.0000 -72.66301 -68.68741 3.97561 2.27852 -68.96490 841.44343
2070.0000 -72.38329 -68.27348 4.10981 2.37518 -68.01111 964.46625
2075.0000 -72.47635 -69.24315 3.23321 2.23530 -69.39148 812.54879
2080.0000 -72.62123 -68.53045 4.09078 2.29777 -68.77502 881.45212
2085.0000 -72.68148 -68.74144 3.94004 2.32869 -68.46988 923.29159
2090.0000 -71.76166 -67.46892 4.29274 2.41508 -67.61738 991.32376
2095.0000 -71.00596 -67.65183 3.35413 2.38609 -67.90344 920.33833
2100.0000 -70.96682 -67.53774 3.42908 2.36815 -68.08041 954.39688
2105.0000 -71.65502 -68.06452 3.59050 2.41721 -67.59636 974.36394
2110.0000 -71.89823 -68.51692 3.38131 2.37756 -67.98762 930.79459
2115.0000 -72.46576 -69.13305 3.33272 2.25449 -69.20208 810.57600
2120.0000 -72.45051 -69.11688 3.33363 2.31234 -68.63119 928.59873
2125.0000 -70.76530 -67.06135 3.70395 2.40628 -67.70421 1027.02316
2130.0000 -70.90903 -67.02871 3.88032 2.48111 -66.96576 1019.16725
2135.0000 -71.43212 -68.47411 2.95801 2.37204 -68.04205 916.10865
2140.0000 -72.77610 -68.96969 3.80641 2.29920 -68.76084 915.77112
2145.0000 -72.18199 -67.81846 4.36353 2.33805 -68.37745 917.49132
2150.0000 -71.67718 -69.05108 2.62611 2.33864 -68.37163 912.56833
2155.0000 -71.48354 -68.33515 3.14840 2.29570 -68.79544 832.85531
2160.0000 -72.58333 -69.02665 3.55668 2.31619 -68.59317 875.54486
2165.0000 -72.45985 -68.36967 4.09018 2.37216 -68.04089 945.83501
2170.0000 -71.24748 -68.00021 3.24726 2.34263 -68.33232 909.97008
2175.0000 -72.18228 -68.95305 3.22923 2.33287 -68.42860 897.45157
2180.0000 -72.78684 -69.19007 3.59677 2.26926 -69.05632 839.13569
2185.0000 -72.86647 -69.09160 3.77487 2.23040 -69.43976 795.24273
2190.0000 -72.60182 -69.24502 3.35681 2.27440 -69.00565 860.01124
2195.0000 -72.47718 -67.88814 4.58904 2.31821 -68.57329 859.90980
2200.0000 -71.96534 -66.84492 5.12042 2.41655 -67.60286 1010.62132
2205.0000 -71.84050 -67.94107 3.89942 2.46134 -67.16080 1000.39525
2210.0000 -72.65541 -67.97535 4.68006 2.40505 -67.71631 1000.25593
2215.0000 -72.12235 -68.05333 4.06902 2.42822 -67.48768 984.19606
2220.0000 -70.83182 -67.13703 3.69479 2.40517 -67.71514 966.42639
2225.0000 -71.32269 -67.03741 4.28529 2.51664 -66.61508 1021.92520
2230.0000 -70.22849 -67.43526 2.79323 2.39309 -67.83432 991.42188
2235.0000 -72.19901 -68.08296 4.11605 2.36741 -68.08775 921.54142
2240.0000 -71.79495 -68.12185 3.67310 2.31533 -68.60170 874.69745
2245.0000 -72.99808 -68.38211 4.61597 2.33552 -68.40249 888.01448
2250.0000 -71.81107 -68.49357 3.31750 2.28334 -68.91741 873.09449
FREEZING PROCESS: loop number 10 T-loop= 865.00000000000000
main_MD> interactions number 10 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.14737 -0.77243 -0.28184
force_rgl> df(natom) 0.75177 1.92586 3.72361
2255.0000 -71.18482 -67.78186 3.40296 2.35049 -68.25476 929.84674
2260.0000 -71.20108 -67.02125 4.17983 2.43405 -67.43014 970.22018
2265.0000 -70.74907 -67.44440 3.30467 2.42420 -67.52734 974.22542
2270.0000 -71.24931 -67.71022 3.53909 2.44458 -67.32625 1035.62407
2275.0000 -72.28742 -69.39939 2.88803 2.32619 -68.49453 899.88635
2280.0000 -73.10026 -69.51297 3.58729 2.21865 -69.55574 761.83871
2285.0000 -73.77445 -69.69962 4.07483 2.21933 -69.54902 837.14674
2290.0000 -71.93114 -67.97118 3.95997 2.24999 -69.24646 825.50460
2295.0000 -72.70922 -68.70264 4.00658 2.38025 -67.96100 958.62351
2300.0000 -71.48336 -68.75020 2.73316 2.31942 -68.56133 904.35992
2305.0000 -72.78359 -69.04916 3.73443 2.28906 -68.86094 859.51508
2310.0000 -72.93426 -68.53294 4.40132 2.24464 -69.29926 854.84945
2315.0000 -72.85751 -69.87982 2.97769 2.26080 -69.13985 859.11996
2320.0000 -72.17621 -69.14040 3.03580 2.29063 -68.84548 872.07521
2325.0000 -71.41343 -68.04559 3.36784 2.34510 -68.30788 912.66440
2330.0000 -71.61943 -67.60351 4.01593 2.43235 -67.44692 1020.58352
2335.0000 -71.31296 -68.34612 2.96685 2.36834 -68.07854 946.13367
2340.0000 -72.10115 -68.80670 3.29444 2.35947 -68.16607 915.53749
2345.0000 -73.69937 -69.52828 4.17109 2.26278 -69.12031 806.10600
2350.0000 -73.17877 -69.30130 3.87747 2.22332 -69.50969 806.54882
2355.0000 -72.96804 -69.95820 3.00984 2.23906 -69.35436 834.88437
2360.0000 -72.08571 -68.22098 3.86473 2.27154 -69.03383 808.01380
2365.0000 -73.18801 -69.72947 3.45854 2.27507 -68.99897 800.10620
2370.0000 -72.92405 -69.05679 3.86726 2.22913 -69.45232 794.03423
2375.0000 -71.65515 -68.58067 3.07448 2.28807 -68.87074 904.01998
2380.0000 -72.03675 -67.32079 4.71596 2.42150 -67.55394 993.25283
2385.0000 -72.23308 -68.44380 3.78928 2.33398 -68.41765 885.43124
2390.0000 -71.65295 -68.31407 3.33888 2.33423 -68.41519 943.78534
2395.0000 -73.02299 -70.10945 2.91355 2.31194 -68.63515 884.74455
2400.0000 -73.13648 -69.95153 3.18495 2.21482 -69.59354 827.21431
2405.0000 -72.18165 -69.01927 3.16239 2.27420 -69.00754 868.88145
2410.0000 -72.68785 -69.09169 3.59616 2.23166 -69.42733 864.91493
2415.0000 -72.11850 -69.09541 3.02309 2.27855 -68.96465 827.38090
2420.0000 -73.26807 -70.04538 3.22269 2.26175 -69.13048 809.77891
2425.0000 -72.35340 -69.53112 2.82228 2.24115 -69.33376 823.47658
2430.0000 -71.91574 -68.07780 3.83793 2.29584 -68.79406 867.68314
2435.0000 -73.34778 -70.01238 3.33540 2.22993 -69.44449 847.81438
2440.0000 -72.57431 -68.67309 3.90122 2.28795 -68.87192 883.65589
2445.0000 -72.56951 -68.42112 4.14839 2.31210 -68.63359 900.61896
2450.0000 -70.86531 -67.07664 3.78867 2.44438 -67.32818 1034.20422
2455.0000 -72.10942 -68.47052 3.63891 2.39236 -67.84155 969.70984
2460.0000 -72.25251 -68.92812 3.32439 2.32489 -68.50739 912.46899
2465.0000 -73.19475 -69.85408 3.34067 2.22812 -69.46226 795.55821
2470.0000 -72.63295 -69.38984 3.24310 2.24741 -69.27194 828.04057
2475.0000 -73.38323 -69.60598 3.77725 2.23497 -69.39468 797.55132
2480.0000 -72.30386 -69.44900 2.85486 2.20503 -69.69013 772.69768
2485.0000 -72.19597 -69.03569 3.16028 2.27931 -68.95715 854.91681
2490.0000 -73.25760 -69.73968 3.51793 2.27212 -69.02813 862.05881
2495.0000 -72.87867 -69.44732 3.43135 2.19353 -69.80362 766.57352
2500.0000 -72.50906 -69.31764 3.19143 2.20669 -69.67374 807.92114
FREEZING PROCESS: loop number 11 T-loop= 840.00000000000000
main_MD> interactions number 11 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32504 -3.34620 -1.61878
force_rgl> df(natom) -1.36952 -0.18194 -1.14013
2505.0000 -72.99510 -69.23685 3.75826 2.22689 -69.47443 857.09776
2510.0000 -72.94153 -69.97086 2.97067 2.23056 -69.43823 841.39946
2515.0000 -72.06894 -68.30198 3.76696 2.31537 -68.60131 881.92846
2520.0000 -72.74913 -69.73384 3.01529 2.32522 -68.50408 913.27764
2525.0000 -73.05388 -70.20142 2.85246 2.17756 -69.96126 716.76895
2530.0000 -71.92805 -68.62895 3.29909 2.31582 -68.59687 850.58563
2535.0000 -72.29975 -69.15697 3.14277 2.31377 -68.61714 878.14930
2540.0000 -73.05587 -70.00498 3.05089 2.19339 -69.80506 783.14682
2545.0000 -72.48572 -69.10411 3.38161 2.22932 -69.45050 814.39426
2550.0000 -72.53560 -69.37098 3.16462 2.28203 -68.93035 871.25156
2555.0000 -72.72986 -68.50953 4.22033 2.21362 -69.60541 785.76793
2560.0000 -71.82000 -69.61221 2.20780 2.25631 -69.18414 807.85554
2565.0000 -73.14258 -69.64066 3.50192 2.22063 -69.53625 794.58778
2570.0000 -71.87284 -68.33786 3.53498 2.26472 -69.10110 826.65254
2575.0000 -71.87461 -68.63196 3.24265 2.28717 -68.87959 839.59228
2580.0000 -71.63943 -67.38772 4.25171 2.40973 -67.67008 940.82612
2585.0000 -71.91270 -68.37353 3.53917 2.35837 -68.17695 877.61085
2590.0000 -72.10634 -69.36057 2.74577 2.30547 -68.69895 872.20321
2595.0000 -73.51598 -70.57636 2.93962 2.10889 -70.63891 703.19617
2600.0000 -73.45994 -70.19826 3.26168 2.11665 -70.56232 668.33108
2605.0000 -72.87598 -68.91977 3.95620 2.18968 -69.84162 765.64604
2610.0000 -71.37683 -68.46253 2.91430 2.29338 -68.81831 867.97178
2615.0000 -71.84598 -69.11918 2.72680 2.28205 -68.93008 846.97822
2620.0000 -72.79596 -68.46013 4.33582 2.30066 -68.74648 856.49131
2625.0000 -72.75419 -69.74924 3.00494 2.25318 -69.21505 861.51674
2630.0000 -73.65687 -69.05569 4.60118 2.23655 -69.37916 862.67970
2635.0000 -72.69226 -69.36823 3.32403 2.24193 -69.32604 865.83588
2640.0000 -73.24703 -69.29416 3.95287 2.24144 -69.33085 825.47213
2645.0000 -72.20063 -67.49562 4.70500 2.28883 -68.86316 883.15708
2650.0000 -71.79009 -67.46865 4.32143 2.42955 -67.47454 1061.01736
2655.0000 -71.16187 -68.30094 2.86092 2.34434 -68.31538 901.02385
2660.0000 -71.97690 -67.76462 4.21228 2.37111 -68.05124 945.81386
2665.0000 -72.59409 -69.16866 3.42543 2.34903 -68.26910 917.04114
2670.0000 -71.91771 -68.63724 3.28047 2.23907 -69.35423 774.92306
2675.0000 -73.22389 -69.57011 3.65378 2.20928 -69.64824 764.68882
2680.0000 -72.51951 -69.37595 3.14356 2.23600 -69.38458 818.16500
2685.0000 -72.60775 -69.59455 3.01320 2.22731 -69.47033 817.63935
2690.0000 -72.10805 -68.43116 3.67690 2.28688 -68.88243 856.43398
2695.0000 -71.65423 -68.44003 3.21421 2.30902 -68.66397 905.05031
2700.0000 -71.40177 -68.49255 2.90923 2.32585 -68.49785 852.91575
2705.0000 -72.27525 -69.23751 3.03773 2.29136 -68.83825 797.56732
2710.0000 -73.32882 -70.12056 3.20826 2.24918 -69.25448 790.02900
2715.0000 -72.76953 -69.66939 3.10014 2.14613 -70.27144 735.86983
2720.0000 -73.04717 -70.63329 2.41388 2.15702 -70.16390 719.20111
2725.0000 -72.72818 -69.30496 3.42322 2.17701 -69.96672 779.55039
2730.0000 -71.21157 -67.99214 3.21942 2.35366 -68.22348 952.43012
2735.0000 -71.57745 -69.18387 2.39358 2.33049 -68.45207 917.51022
2740.0000 -72.83476 -68.99964 3.83512 2.24624 -69.28354 843.26838
2745.0000 -73.23524 -70.29086 2.94438 2.22928 -69.45086 829.79377
2750.0000 -71.98987 -68.64006 3.34981 2.29717 -68.78088 873.48465
FREEZING PROCESS: loop number 12 T-loop= 815.00000000000000
main_MD> interactions number 12 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44928 -1.07890 -0.24611
force_rgl> df(natom) -1.01925 1.41567 0.45057
2755.0000 -72.15387 -68.53382 3.62005 2.25974 -69.15031 824.54204
2760.0000 -71.77610 -68.94412 2.83198 2.29129 -68.83888 825.69150
2765.0000 -73.23403 -69.55607 3.67796 2.27748 -68.97523 829.84785
2770.0000 -72.69387 -69.97918 2.71469 2.19183 -69.82041 795.80915
2775.0000 -72.49301 -68.83560 3.65741 2.24924 -69.25388 837.39154
2780.0000 -72.16235 -68.85764 3.30471 2.27970 -68.95334 893.41672
2785.0000 -72.48377 -68.77393 3.70984 2.32102 -68.54555 900.46943
2790.0000 -72.28477 -68.83362 3.45115 2.28630 -68.88816 821.60202
2795.0000 -72.76889 -68.18939 4.57950 2.27671 -68.98276 855.57923
2800.0000 -73.19978 -69.94860 3.25117 2.23552 -69.38932 738.88619
2805.0000 -72.31787 -69.26270 3.05517 2.19961 -69.74362 819.92468
2810.0000 -72.14461 -68.52892 3.61569 2.27728 -68.97719 836.14516
2815.0000 -72.05852 -68.86775 3.19077 2.33121 -68.44503 872.24738
2820.0000 -73.01716 -68.62296 4.39421 2.28442 -68.90672 866.58960
2825.0000 -73.01512 -69.85283 3.16229 2.21637 -69.57828 797.65611
2830.0000 -72.60539 -70.29405 2.31133 2.19494 -69.78971 767.31027
2835.0000 -72.16393 -68.84164 3.32229 2.27540 -68.99570 827.67150
2840.0000 -71.06680 -67.16407 3.90272 2.34459 -68.31299 871.83882
2845.0000 -72.85176 -68.29808 4.55368 2.42951 -67.47494 976.44830
2850.0000 -72.28789 -68.56695 3.72094 2.32550 -68.50135 846.64219
2855.0000 -72.24998 -68.79648 3.45350 2.27857 -68.96441 836.85847
2860.0000 -72.32061 -69.79201 2.52860 2.25682 -69.17909 815.35223
2865.0000 -73.01134 -70.13895 2.87239 2.18830 -69.85526 790.71520
2870.0000 -72.42295 -69.40205 3.02089 2.17353 -70.00100 723.51107
2875.0000 -71.74197 -68.99465 2.74732 2.29372 -68.81496 824.84574
2880.0000 -72.79328 -69.60602 3.18726 2.22057 -69.53677 774.88939
2885.0000 -73.31325 -70.28575 3.02750 2.19553 -69.78389 778.24957
2890.0000 -73.13638 -70.01580 3.12058 2.15699 -70.16426 729.42095
2895.0000 -73.31510 -68.95604 4.35906 2.19620 -69.77734 789.36422
2900.0000 -71.71339 -68.93809 2.77530 2.24563 -69.28951 861.41908
2905.0000 -71.67550 -69.22349 2.45201 2.27561 -68.99362 857.40605
2910.0000 -71.02824 -66.90550 4.12274 2.31064 -68.64796 928.29679
2915.0000 -73.29363 -69.05472 4.23891 2.40852 -67.68211 967.44102
2920.0000 -72.80496 -68.96814 3.83682 2.29243 -68.82768 844.24734
2925.0000 -73.20405 -70.68668 2.51736 2.15738 -70.16037 784.06073
2930.0000 -73.07081 -70.13894 2.93187 2.14100 -70.32205 725.45462
2935.0000 -73.37333 -70.54050 2.83283 2.16295 -70.10542 779.13168
2940.0000 -73.00081 -70.21875 2.78206 2.16078 -70.12685 759.78414
2945.0000 -71.94868 -69.15677 2.79191 2.23969 -69.34817 787.37435
2950.0000 -72.85752 -69.72726 3.13025 2.19237 -69.81511 756.00481
2955.0000 -72.84500 -69.98539 2.85962 2.20570 -69.68351 775.82095
2960.0000 -73.11943 -69.42299 3.69644 2.23375 -69.40672 794.35896
2965.0000 -73.25323 -70.44320 2.81003 2.20104 -69.72956 783.45611
2970.0000 -72.09967 -68.74563 3.35404 2.21137 -69.62759 794.40124
2975.0000 -72.08576 -69.10288 2.98288 2.24255 -69.31992 777.89650
2980.0000 -72.83824 -69.32877 3.50947 2.24762 -69.26984 823.12125
2985.0000 -72.96079 -69.52756 3.43323 2.26884 -69.06049 863.92217
2990.0000 -72.95200 -69.04714 3.90486 2.22546 -69.48855 817.90647
2995.0000 -72.49150 -68.43351 4.05799 2.28191 -68.93151 912.62287
3000.0000 -72.13556 -69.53338 2.60218 2.25452 -69.20180 839.71160
FREEZING PROCESS: loop number 13 T-loop= 790.00000000000000
main_MD> interactions number 13 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.42352 -1.62095 1.81709
force_rgl> df(natom) 0.39033 -0.54034 -1.44871
3005.0000 -71.89808 -69.15654 2.74153 2.22840 -69.45955 758.56359
3010.0000 -72.29439 -69.13978 3.15461 2.27137 -69.03552 840.74512
3015.0000 -72.88373 -70.50113 2.38260 2.23176 -69.42641 786.88405
3020.0000 -72.29576 -69.33192 2.96384 2.22927 -69.45095 807.41762
3025.0000 -73.47147 -70.35414 3.11732 2.17882 -69.94886 775.19570
3030.0000 -73.37961 -70.06293 3.31668 2.16493 -70.08592 762.60522
3035.0000 -73.03701 -69.54922 3.48780 2.18838 -69.85446 776.75119
3040.0000 -72.66511 -69.40390 3.26121 2.22458 -69.49727 789.39902
3045.0000 -72.70655 -69.31752 3.38903 2.28153 -68.93527 821.15809
3050.0000 -72.29110 -69.53991 2.75119 2.22627 -69.48060 803.47500
3055.0000 -71.52095 -68.34924 3.17170 2.24203 -69.32508 803.07911
3060.0000 -73.12870 -69.53048 3.59822 2.29390 -68.81314 860.11421
3065.0000 -73.38659 -70.00975 3.37684 2.18267 -69.91086 759.78644
3070.0000 -72.25247 -69.43674 2.81573 2.20374 -69.70288 762.46616
3075.0000 -73.48469 -70.37590 3.10879 2.15343 -70.19938 736.17520
3080.0000 -73.52694 -70.91622 2.61072 2.15283 -70.20525 732.84390
3085.0000 -73.67120 -70.05100 3.62020 2.17462 -69.99022 728.44639
3090.0000 -73.27332 -70.45650 2.81681 2.20463 -69.69408 776.87466
3095.0000 -73.43504 -70.63561 2.79944 2.10072 -70.71955 688.05657
3100.0000 -72.24595 -68.39597 3.84999 2.24302 -69.31531 809.52739
3105.0000 -72.72038 -69.65510 3.06528 2.28571 -68.89398 847.28465
3110.0000 -72.98308 -69.97184 3.01124 2.18812 -69.85708 775.99608
3115.0000 -73.53569 -70.60517 2.93051 2.15562 -70.17776 741.29483
3120.0000 -73.28175 -70.16756 3.11419 2.12646 -70.46549 710.53123
3125.0000 -72.65233 -69.64138 3.01095 2.17604 -69.97626 753.45053
3130.0000 -72.06402 -68.98701 3.07700 2.27830 -68.96707 875.40840
3135.0000 -73.17624 -69.66775 3.50849 2.24212 -69.32416 841.32510
3140.0000 -73.69029 -70.69830 2.99199 2.16590 -70.07627 764.84122
3145.0000 -72.93331 -70.12484 2.80847 2.10433 -70.68393 712.25260
3150.0000 -72.66846 -69.84507 2.82339 2.20187 -69.72132 804.04722
3155.0000 -73.86136 -70.70188 3.15948 2.17396 -69.99674 743.85958
3160.0000 -73.14977 -70.20708 2.94269 2.13981 -70.33374 677.57437
3165.0000 -73.07018 -70.14793 2.92225 2.17565 -69.98010 737.79479
3170.0000 -72.48727 -69.19794 3.28932 2.18523 -69.88551 758.34100
3175.0000 -71.74844 -68.05741 3.69103 2.26977 -69.05125 829.56378
3180.0000 -72.18220 -69.17752 3.00468 2.30406 -68.71288 848.77709
3185.0000 -72.89194 -69.82586 3.06609 2.22540 -69.48914 792.40392
3190.0000 -72.38273 -69.36410 3.01863 2.19191 -69.81967 758.06044
3195.0000 -74.11899 -71.00151 3.11748 2.18429 -69.89482 762.96349
3200.0000 -72.97961 -70.37768 2.60193 2.09911 -70.73540 658.73474
3205.0000 -73.76443 -70.59215 3.17228 2.10701 -70.65745 697.41511
3210.0000 -73.17794 -69.32355 3.85439 2.21894 -69.55291 797.30722
3215.0000 -73.12417 -70.27886 2.84530 2.18195 -69.91789 711.71460
3220.0000 -72.73962 -69.87664 2.86299 2.18556 -69.88232 773.72109
3225.0000 -72.74168 -69.36583 3.37586 2.24628 -69.28307 791.63108
3230.0000 -73.29471 -69.71936 3.57535 2.19202 -69.81850 788.67410
3235.0000 -72.96833 -70.17057 2.79776 2.18262 -69.91131 784.58398
3240.0000 -73.49117 -70.31138 3.17979 2.16634 -70.07195 785.75094
3245.0000 -72.90797 -70.36089 2.54708 2.11988 -70.53043 752.32125
3250.0000 -73.24888 -70.93126 2.31762 2.10932 -70.63468 725.29512
FREEZING PROCESS: loop number 14 T-loop= 765.00000000000000
main_MD> interactions number 14 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83187 -0.23364 -0.19436
force_rgl> df(natom) 0.17384 0.23269 -0.16160
3255.0000 -73.38639 -70.46643 2.91996 2.13316 -70.39938 720.03938
3260.0000 -72.64346 -70.58283 2.06063 2.16211 -70.11371 718.14915
3265.0000 -71.97169 -68.57009 3.40160 2.22478 -69.49530 782.70480
3270.0000 -73.02863 -69.81278 3.21585 2.24018 -69.34330 780.25953
3275.0000 -72.63838 -70.29521 2.34318 2.15029 -70.23038 753.16425
3280.0000 -72.79983 -70.11803 2.68181 2.12688 -70.46134 721.02611
3285.0000 -74.22882 -70.42879 3.80003 2.18775 -69.86073 755.32160
3290.0000 -72.18336 -69.15905 3.02430 2.21029 -69.63827 791.70143
3295.0000 -73.38834 -69.81176 3.57658 2.20939 -69.64716 769.62042
3300.0000 -72.42986 -69.27787 3.15199 2.23254 -69.41864 812.26303
3305.0000 -72.10729 -69.47949 2.62781 2.21026 -69.63854 769.82866
3310.0000 -72.58648 -69.09089 3.49559 2.22170 -69.52562 817.61063
3315.0000 -73.40568 -69.87225 3.53343 2.24020 -69.34307 891.59096
3320.0000 -73.66036 -70.14180 3.51856 2.14682 -70.26455 784.77477
3325.0000 -72.50823 -69.05115 3.45708 2.20085 -69.73144 787.33454
3330.0000 -72.17802 -68.91951 3.25851 2.23967 -69.34834 839.37878
3335.0000 -73.40287 -69.31950 4.08337 2.27385 -69.01104 866.92546
3340.0000 -73.81819 -70.76609 3.05210 2.14544 -70.27821 727.04800
3345.0000 -72.98975 -69.94971 3.04004 2.14516 -70.28097 725.58244
3350.0000 -73.62364 -70.85867 2.76497 2.12279 -70.50173 674.71529
3355.0000 -73.69297 -71.27596 2.41701 2.07057 -71.01704 698.04620
3360.0000 -73.80405 -69.69976 4.10429 2.12246 -70.50502 722.65772
3365.0000 -72.68770 -69.88303 2.80467 2.18969 -69.84157 749.12253
3370.0000 -73.30377 -69.60184 3.70193 2.17086 -70.02733 798.88187
3375.0000 -72.42394 -69.59781 2.82613 2.20957 -69.64536 778.40550
3380.0000 -73.74777 -70.83641 2.91137 2.10804 -70.64731 645.33079
3385.0000 -73.27363 -70.93559 2.33803 2.08515 -70.87315 614.83090
3390.0000 -72.78264 -69.66870 3.11393 2.13459 -70.38528 709.00022
3395.0000 -72.48147 -69.46602 3.01545 2.22923 -69.45134 812.76992
3400.0000 -73.26230 -70.39382 2.86849 2.21116 -69.62964 824.20077
3405.0000 -72.05782 -68.76244 3.29539 2.18733 -69.86485 797.33158
3410.0000 -72.27413 -69.23222 3.04191 2.26956 -69.05335 844.11885
3415.0000 -73.48129 -69.54612 3.93516 2.26376 -69.11056 834.79737
3420.0000 -73.20679 -70.29233 2.91447 2.21370 -69.60457 790.51193
3425.0000 -72.06815 -69.31481 2.75333 2.17633 -69.97334 748.51811
3430.0000 -72.90042 -69.83134 3.06908 2.20089 -69.73099 767.72038
3435.0000 -72.89236 -69.46257 3.42980 2.27809 -68.96921 852.75390
3440.0000 -73.14940 -70.77166 2.37774 2.13548 -70.37649 695.36402
3445.0000 -73.36179 -70.50681 2.85498 2.13779 -70.35368 696.98969
3450.0000 -73.03438 -70.32886 2.70552 2.12032 -70.52610 730.93097
3455.0000 -72.53110 -68.74551 3.78558 2.25871 -69.16045 848.44329
3460.0000 -72.13633 -68.21877 3.91756 2.30185 -68.73471 862.31593
3465.0000 -71.07657 -68.46826 2.60831 2.29411 -68.81110 838.13070
3470.0000 -71.52496 -68.99318 2.53178 2.29612 -68.79127 823.16260
3475.0000 -73.01656 -69.63375 3.38282 2.22865 -69.45704 824.17343
3480.0000 -73.28028 -70.04812 3.23216 2.14143 -70.31780 777.79410
3485.0000 -73.06451 -70.33404 2.73048 2.22354 -69.50752 789.40265
3490.0000 -72.86911 -70.20761 2.66150 2.13985 -70.33335 763.26893
3495.0000 -73.69404 -70.71303 2.98101 2.13230 -70.40788 739.28786
3500.0000 -74.19442 -70.94965 3.24477 2.06661 -71.05617 719.26499
FREEZING PROCESS: loop number 15 T-loop= 740.00000000000000
main_MD> interactions number 15 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26234 0.32534 0.09389
force_rgl> df(natom) -0.18579 -1.47773 -1.88466
3505.0000 -73.64623 -71.20603 2.44020 2.07452 -70.97810 705.53248
3510.0000 -74.03269 -71.18685 2.84583 2.03387 -71.37924 641.90398
3515.0000 -74.17830 -71.74161 2.43670 1.99700 -71.74304 617.28618
3520.0000 -73.91013 -71.59631 2.31383 2.04217 -71.29736 694.99642
3525.0000 -73.46820 -71.17992 2.28828 2.02003 -71.51575 637.04489
3530.0000 -73.33881 -70.15874 3.18008 2.14983 -70.23491 767.15158
3535.0000 -73.11386 -70.35378 2.76009 2.17740 -69.96279 723.83122
3540.0000 -73.17093 -70.06385 3.10708 2.10724 -70.65520 684.61960
3545.0000 -74.27646 -70.84002 3.43643 2.08784 -70.84660 708.99863
3550.0000 -73.37454 -70.07949 3.29505 2.11717 -70.55721 726.08640
3555.0000 -72.92784 -70.10390 2.82394 2.12368 -70.49298 739.83921
3560.0000 -73.97180 -70.57382 3.39798 2.12075 -70.52187 738.50294
3565.0000 -72.98231 -69.69435 3.28796 2.16345 -70.10044 725.22348
3570.0000 -73.57530 -70.53894 3.03636 2.15497 -70.18417 720.85187
3575.0000 -72.79320 -69.76118 3.03202 2.17684 -69.96831 749.54112
3580.0000 -74.04542 -70.88452 3.16090 2.11544 -70.57422 709.55551
3585.0000 -73.33202 -70.15771 3.17431 2.10271 -70.69987 678.66229
3590.0000 -72.87244 -70.34088 2.53156 2.09865 -70.73997 716.72829
3595.0000 -72.39132 -69.10329 3.28803 2.22854 -69.45819 835.92154
3600.0000 -72.42447 -69.59287 2.83160 2.25140 -69.23258 813.64597
3605.0000 -72.21250 -69.30539 2.90711 2.24271 -69.31832 769.63466
3610.0000 -72.78830 -69.79926 2.98905 2.14390 -70.29342 733.72914
3615.0000 -72.00052 -68.99641 3.00411 2.26032 -69.14454 832.20067
3620.0000 -72.78292 -69.27562 3.50730 2.24666 -69.27935 815.97557
3625.0000 -73.02694 -70.34196 2.68498 2.20272 -69.71293 764.25126
3630.0000 -73.10309 -70.08847 3.01461 2.16791 -70.05652 759.70026
3635.0000 -73.12141 -70.03830 3.08311 2.17980 -69.93914 732.31365
3640.0000 -73.47346 -70.74354 2.72992 2.11964 -70.53281 742.81448
3645.0000 -73.20982 -70.09463 3.11519 2.11317 -70.59670 696.78273
3650.0000 -72.76509 -69.26422 3.50087 2.23839 -69.36092 821.06445
3655.0000 -72.23058 -67.44278 4.78780 2.33110 -68.44610 911.03112
3660.0000 -72.46379 -69.26427 3.19952 2.32034 -68.55224 920.44912
3665.0000 -72.77778 -70.22247 2.55531 2.17249 -70.01132 733.60976
3670.0000 -73.11204 -70.01083 3.10120 2.16419 -70.09323 778.41946
3675.0000 -72.65691 -69.87667 2.78024 2.16624 -70.07298 736.32203
3680.0000 -72.95230 -70.21765 2.73464 2.14010 -70.33093 718.37408
3685.0000 -73.74193 -71.32657 2.41537 2.10484 -70.67883 687.81664
3690.0000 -74.47896 -71.34296 3.13600 2.07168 -71.00606 686.96542
3695.0000 -72.54645 -69.88845 2.65800 2.17217 -70.01448 758.12925
3700.0000 -73.51307 -70.21480 3.29827 2.13700 -70.36150 732.18192
3705.0000 -72.47359 -69.43712 3.03647 2.17955 -69.94160 772.01749
3710.0000 -73.13415 -70.29777 2.83638 2.20120 -69.72798 759.58636
3715.0000 -73.42635 -70.07292 3.35343 2.17871 -69.94987 768.41586
3720.0000 -73.71040 -70.46075 3.24965 2.10532 -70.67415 669.09857
3725.0000 -73.34025 -70.39945 2.94080 2.12087 -70.52072 713.54948
3730.0000 -72.69207 -69.71778 2.97429 2.13133 -70.41747 734.29760
3735.0000 -74.44647 -71.00839 3.43809 2.12836 -70.44676 707.83041
3740.0000 -73.43375 -69.72268 3.71107 2.10662 -70.66131 718.99065
3745.0000 -73.52504 -70.71010 2.81494 2.15841 -70.15023 756.79956
3750.0000 -73.03995 -70.44251 2.59744 2.14745 -70.25837 721.07859
FREEZING PROCESS: loop number 16 T-loop= 715.00000000000000
main_MD> interactions number 16 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16001 -5.88062 -4.05270
force_rgl> df(natom) -0.75040 1.14322 -0.95170
3755.0000 -73.93948 -70.84027 3.09921 2.11044 -70.62361 706.38632
3760.0000 -73.23716 -70.24683 2.99033 2.11063 -70.62168 705.96225
3765.0000 -74.22026 -71.81935 2.40091 2.04266 -71.29250 669.64613
3770.0000 -73.77424 -70.59104 3.18321 2.08977 -70.82756 687.95686
3775.0000 -73.94045 -71.86089 2.07956 2.04057 -71.31314 669.46547
3780.0000 -73.52392 -70.80691 2.71701 1.99802 -71.73301 593.01240
3785.0000 -73.94096 -71.53121 2.40975 2.05479 -71.17273 619.20678
3790.0000 -73.21883 -70.88234 2.33650 2.02395 -71.47715 629.43515
3795.0000 -73.78461 -70.75418 3.03042 2.07527 -70.97069 681.06988
3800.0000 -73.59874 -71.11695 2.48179 2.07188 -71.00416 700.94907
3805.0000 -73.76051 -70.87937 2.88114 2.09334 -70.79237 691.96931
3810.0000 -73.81259 -70.87427 2.93832 2.13191 -70.41172 731.80301
3815.0000 -73.89992 -70.51284 3.38709 2.10609 -70.66655 703.85466
3820.0000 -73.25492 -70.53561 2.71931 2.09331 -70.79262 714.96566
3825.0000 -73.64061 -70.55578 3.08483 2.11762 -70.55274 734.77140
3830.0000 -73.68295 -70.97251 2.71044 2.09831 -70.74331 705.98831
3835.0000 -73.68168 -70.61521 3.06647 2.10946 -70.63329 718.38045
3840.0000 -72.90603 -69.68460 3.22143 2.15472 -70.18665 812.08175
3845.0000 -73.46560 -70.24704 3.21856 2.17960 -69.94113 775.00951
3850.0000 -73.10989 -70.23441 2.87547 2.16476 -70.08760 748.96823
3855.0000 -72.90908 -69.58614 3.32294 2.16677 -70.06771 742.33008
3860.0000 -73.72649 -71.27041 2.45608 2.10127 -70.71408 704.22520
3865.0000 -74.00640 -70.85378 3.15262 2.13162 -70.41460 743.02508
3870.0000 -73.54889 -70.72714 2.82175 2.04050 -71.31378 666.49939
3875.0000 -74.30701 -71.06336 3.24365 2.07931 -70.93076 647.97338
3880.0000 -73.23359 -70.48059 2.75300 2.10687 -70.65882 691.13165
3885.0000 -73.22782 -69.92589 3.30193 2.10397 -70.68745 693.90914
3890.0000 -73.09758 -70.25038 2.84720 2.13780 -70.35361 738.40952
3895.0000 -72.62891 -69.21808 3.41083 2.14362 -70.29621 753.93920
3900.0000 -73.15802 -70.41188 2.74613 2.19780 -69.76155 794.59369
3905.0000 -73.84051 -70.07548 3.76503 2.17274 -70.00885 745.39283
3910.0000 -72.90189 -69.38996 3.51193 2.22183 -69.52442 778.04994
3915.0000 -73.96487 -70.63286 3.33202 2.13972 -70.33466 745.73457
3920.0000 -73.20076 -70.60559 2.59517 2.10407 -70.68649 666.25965
3925.0000 -73.86513 -70.96160 2.90353 2.10269 -70.70008 699.70949
3930.0000 -74.05647 -71.07320 2.98327 2.07207 -71.00223 702.78419
3935.0000 -74.24166 -71.62514 2.61652 2.00119 -71.70175 633.53286
3940.0000 -74.64647 -71.40872 3.23776 1.97886 -71.92210 623.45411
3945.0000 -73.75416 -70.90704 2.84712 2.08253 -70.89907 687.89398
3950.0000 -73.30866 -70.07475 3.23392 2.12654 -70.46474 708.73344
3955.0000 -73.00311 -70.83561 2.16750 2.07295 -70.99361 665.44358
3960.0000 -73.82281 -71.41307 2.40973 2.04140 -71.30490 651.11469
3965.0000 -73.43647 -70.69706 2.73941 2.06975 -71.02512 636.94324
3970.0000 -73.97937 -71.22035 2.75902 2.04203 -71.29866 665.24859
3975.0000 -74.41975 -71.15338 3.26637 2.04136 -71.30532 622.09658
3980.0000 -73.86470 -70.93755 2.92715 2.07741 -70.94952 696.92461
3985.0000 -73.24482 -69.89353 3.35128 2.14852 -70.24785 761.29573
3990.0000 -73.43738 -70.34162 3.09576 2.15011 -70.23209 788.01880
3995.0000 -73.98268 -71.11642 2.86625 2.14618 -70.27092 715.50827
4000.0000 -73.87414 -71.09168 2.78246 2.07465 -70.97682 661.35287
FREEZING PROCESS: loop number 17 T-loop= 690.00000000000000
main_MD> interactions number 17 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64270 1.71235 -3.63194
force_rgl> df(natom) 2.90139 -1.01252 0.11638
4005.0000 -73.55071 -70.79749 2.75322 2.07976 -70.92632 699.74534
4010.0000 -73.66850 -70.71312 2.95538 2.14539 -70.27872 790.23342
4015.0000 -73.58576 -70.56606 3.01970 2.09826 -70.74379 676.85401
4020.0000 -73.01844 -70.07440 2.94404 2.12728 -70.45742 729.01241
4025.0000 -73.45021 -70.19592 3.25429 2.13301 -70.40092 710.46408
4030.0000 -73.64205 -70.97082 2.67123 2.15053 -70.22794 754.31376
4035.0000 -73.73668 -70.61638 3.12030 2.10134 -70.71342 683.91790
4040.0000 -72.36453 -70.23160 2.13292 2.07879 -70.93589 691.43106
4045.0000 -73.57107 -70.85303 2.71804 2.11199 -70.60829 703.18696
4050.0000 -72.70066 -69.32406 3.37660 2.09853 -70.74109 722.05066
4055.0000 -72.91324 -70.44621 2.46703 2.16123 -70.12236 664.60662
4060.0000 -72.34941 -69.83959 2.50982 2.11994 -70.52988 646.35550
4065.0000 -73.79203 -70.69357 3.09846 2.11437 -70.58484 697.59598
4070.0000 -74.43560 -71.63132 2.80428 2.07744 -70.94927 688.94133
4075.0000 -74.07144 -71.07521 2.99623 2.02745 -71.44262 638.95852
4080.0000 -73.59935 -71.10175 2.49759 2.05901 -71.13113 702.30656
4085.0000 -73.39397 -70.39799 2.99597 2.06265 -71.09517 685.15604
4090.0000 -73.97865 -71.12087 2.85778 2.10585 -70.66886 727.25985
4095.0000 -73.50010 -71.04752 2.45259 2.06901 -71.03246 718.11495
4100.0000 -74.30200 -72.08498 2.21701 2.04036 -71.31521 636.14936
4105.0000 -74.47490 -71.62088 2.85403 2.02461 -71.47065 621.05137
4110.0000 -73.76415 -71.45904 2.30511 1.98386 -71.87278 589.58058
4115.0000 -73.12106 -70.17859 2.94248 2.08542 -70.87049 685.92487
4120.0000 -73.60216 -71.28147 2.32068 2.16111 -70.12361 731.52960
4125.0000 -74.00876 -70.88334 3.12543 2.09509 -70.77510 705.49768
4130.0000 -73.27972 -70.61811 2.66161 2.06204 -71.10122 702.23573
4135.0000 -73.24648 -70.75815 2.48832 2.08400 -70.88450 660.56353
4140.0000 -74.69096 -72.11045 2.58051 2.04028 -71.31597 632.04261
4145.0000 -73.36237 -70.73829 2.62408 2.04336 -71.28554 671.02722
4150.0000 -73.85153 -70.98788 2.86365 2.06616 -71.06059 656.12470
4155.0000 -73.65758 -71.07102 2.58656 2.05836 -71.13750 658.94743
4160.0000 -73.33659 -71.18525 2.15135 2.09405 -70.78535 706.19530
4165.0000 -73.40078 -70.58820 2.81258 2.10231 -70.70385 714.64614
4170.0000 -73.16420 -70.72825 2.43596 2.12348 -70.49494 709.65714
4175.0000 -73.10993 -70.82893 2.28101 2.09772 -70.74908 668.67665
4180.0000 -73.71590 -70.77653 2.93938 2.04240 -71.29501 634.92219
4185.0000 -73.33154 -70.80995 2.52159 2.13672 -70.36423 744.32491
4190.0000 -72.79851 -70.11305 2.68546 2.12884 -70.44206 719.47488
4195.0000 -73.48482 -71.24083 2.24400 2.09781 -70.74821 668.66454
4200.0000 -73.87748 -71.21210 2.66538 2.04193 -71.29968 618.79029
4205.0000 -73.54644 -70.63507 2.91136 2.08710 -70.85397 639.37407
4210.0000 -72.96844 -70.26387 2.70456 2.12961 -70.43442 727.05270
4215.0000 -71.18741 -68.60823 2.57917 2.19282 -69.81069 739.44228
4220.0000 -72.02922 -70.12412 1.90511 2.23766 -69.36821 779.10434
4225.0000 -73.47382 -70.07925 3.39457 2.17287 -70.00757 754.74186
4230.0000 -72.87901 -70.25182 2.62718 2.13721 -70.35947 715.67783
4235.0000 -74.02407 -70.67288 3.35119 2.07078 -71.01502 644.02573
4240.0000 -73.59401 -71.41643 2.17758 2.05759 -71.14518 678.44326
4245.0000 -74.07507 -71.73708 2.33799 2.04120 -71.30690 638.33562
4250.0000 -73.41192 -70.62636 2.78557 2.08102 -70.91392 656.82494
FREEZING PROCESS: loop number 18 T-loop= 665.00000000000000
main_MD> interactions number 18 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.61728 3.56922 -0.11696
force_rgl> df(natom) 1.97824 2.30670 0.88998
4255.0000 -73.50130 -70.74083 2.76046 2.08323 -70.89215 667.53615
4260.0000 -73.99713 -71.66073 2.33640 2.08680 -70.85684 673.45761
4265.0000 -73.70680 -71.14480 2.56200 2.05182 -71.20208 648.79304
4270.0000 -73.46869 -70.83476 2.63393 2.07932 -70.93071 690.62956
4275.0000 -73.51409 -70.46181 3.05227 2.12865 -70.44389 720.56202
4280.0000 -72.84911 -70.60270 2.24641 2.12262 -70.50341 684.13690
4285.0000 -73.45243 -71.51626 1.93617 2.06478 -71.07422 636.63853
4290.0000 -73.87902 -71.47461 2.40441 2.07691 -70.95452 687.77283
4295.0000 -73.12173 -70.81844 2.30328 2.00311 -71.68275 589.53561
4300.0000 -74.19692 -71.71575 2.48117 2.05743 -71.14669 624.13210
4305.0000 -73.41330 -70.98780 2.42550 2.03114 -71.40615 638.27586
4310.0000 -73.36466 -70.73789 2.62676 2.08360 -70.88844 665.06968
4315.0000 -73.39193 -70.77878 2.61315 2.09531 -70.77289 702.57786
4320.0000 -73.90629 -71.05368 2.85261 2.09683 -70.75794 718.05261
4325.0000 -74.05248 -71.41626 2.63622 2.07935 -70.93044 659.40188
4330.0000 -74.13590 -72.03686 2.09903 1.99968 -71.71658 586.08128
4335.0000 -73.90769 -71.85000 2.05768 1.99623 -71.75070 597.20429
4340.0000 -74.51870 -71.70433 2.81437 1.99197 -71.79268 612.68440
4345.0000 -74.21280 -72.01226 2.20054 2.00372 -71.67672 617.93194
4350.0000 -74.21265 -71.16634 3.04631 1.97217 -71.98807 601.01807
4355.0000 -73.94480 -71.02851 2.91628 2.07558 -70.96757 700.40515
4360.0000 -74.62417 -71.89565 2.72852 2.02187 -71.49764 620.17194
4365.0000 -74.03261 -71.68372 2.34889 1.95981 -72.11009 587.11423
4370.0000 -73.79611 -71.07178 2.72433 2.01349 -71.58029 635.23134
4375.0000 -73.71230 -70.78659 2.92571 2.09718 -70.75443 732.13697
4380.0000 -73.09677 -70.64884 2.44793 2.13741 -70.35745 689.91180
4385.0000 -73.30245 -70.11614 3.18631 2.18601 -69.87782 761.97157
4390.0000 -73.64034 -71.24500 2.39533 2.10349 -70.69222 704.58663
4395.0000 -74.04221 -70.97922 3.06299 2.07096 -71.01319 666.20936
4400.0000 -74.01343 -71.14627 2.86717 2.04167 -71.30224 648.23467
4405.0000 -73.19456 -70.35541 2.83915 2.10107 -70.71605 691.22437
4410.0000 -73.06071 -70.24433 2.81638 2.09967 -70.72984 683.68995
4415.0000 -73.49951 -70.91421 2.58530 2.13765 -70.35510 751.34686
4420.0000 -73.80458 -71.15600 2.64858 2.08327 -70.89173 664.12275
4425.0000 -74.13968 -71.57194 2.56775 2.04651 -71.25444 646.94857
4430.0000 -73.90259 -71.04426 2.85833 2.02906 -71.42672 619.26821
4435.0000 -74.01182 -71.28199 2.72983 2.06887 -71.03387 705.06955
4440.0000 -73.95492 -71.22963 2.72529 2.02193 -71.49703 591.79744
4445.0000 -74.33037 -71.79475 2.53562 2.00033 -71.71016 618.60378
4450.0000 -74.30733 -72.28364 2.02369 1.95945 -72.11366 576.93508
4455.0000 -73.20486 -70.28749 2.91738 2.05178 -71.20252 641.95128
4460.0000 -74.12616 -71.70887 2.41729 2.08865 -70.83866 699.82818
4465.0000 -73.82323 -71.37153 2.45169 2.00855 -71.62913 599.24966
4470.0000 -74.04391 -71.21937 2.82454 2.01732 -71.54250 594.67825
4475.0000 -74.12819 -71.29079 2.83741 2.01823 -71.53356 614.40142
4480.0000 -73.20329 -70.41510 2.78819 2.12273 -70.50234 720.31633
4485.0000 -73.40423 -69.94434 3.45989 2.12920 -70.43851 713.95270
4490.0000 -73.98816 -71.54958 2.43858 2.09213 -70.80429 686.38827
4495.0000 -73.40013 -70.35543 3.04469 2.04603 -71.25925 648.67403
4500.0000 -73.85133 -71.36274 2.48859 2.06772 -71.04522 629.38480
FREEZING PROCESS: loop number 19 T-loop= 640.00000000000000
main_MD> interactions number 19 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86675 1.33071 1.36127
force_rgl> df(natom) 1.03833 -0.34774 0.60932
4505.0000 -73.72492 -70.70837 3.01655 2.08147 -70.90950 656.55020
4510.0000 -74.00075 -70.82877 3.17198 2.12499 -70.48006 761.37999
4515.0000 -73.21846 -71.33984 1.87862 2.03076 -71.40995 610.45871
4520.0000 -73.71014 -70.87104 2.83911 2.06151 -71.10641 634.12272
4525.0000 -73.64633 -70.69269 2.95365 2.11392 -70.58922 697.52868
4530.0000 -73.55913 -70.56206 2.99707 2.15491 -70.18481 766.29906
4535.0000 -73.92567 -70.93722 2.98844 2.09752 -70.75108 695.94403
4540.0000 -74.40767 -71.71147 2.69621 2.04623 -71.25723 629.47613
4545.0000 -74.37446 -71.27802 3.09645 2.08360 -70.88844 684.08965
4550.0000 -73.70505 -71.55966 2.14539 2.05206 -71.19967 621.36637
4555.0000 -73.51468 -71.27109 2.24358 2.03359 -71.38194 606.30723
4560.0000 -74.39110 -71.61306 2.77804 2.02616 -71.45528 601.37305
4565.0000 -74.18227 -71.40489 2.77738 2.01172 -71.59784 598.98734
4570.0000 -72.99026 -70.79543 2.19482 2.06649 -71.05727 641.35361
4575.0000 -74.15079 -71.16634 2.98445 2.09250 -70.80060 669.27347
4580.0000 -73.22105 -70.26591 2.95514 2.12228 -70.50672 755.66890
4585.0000 -73.83073 -71.65247 2.17827 2.07723 -70.95134 696.36080
4590.0000 -73.69630 -71.78390 1.91240 1.96789 -72.03029 554.34172
4595.0000 -73.48798 -71.29409 2.19389 2.02638 -71.45317 611.43405
4600.0000 -72.97136 -70.35100 2.62036 2.12304 -70.49930 702.62286
4605.0000 -72.72653 -70.55054 2.17599 2.11127 -70.61536 712.94685
4610.0000 -73.25549 -70.27749 2.97801 2.10801 -70.64761 692.36061
4615.0000 -75.07067 -71.59244 3.47824 2.01344 -71.58082 593.07120
4620.0000 -74.41441 -72.10468 2.30973 1.96500 -72.05884 584.99471
4625.0000 -74.15309 -71.80123 2.35186 1.94190 -72.28680 559.73362
4630.0000 -73.80967 -71.50431 2.30536 2.02362 -71.48035 632.37510
4635.0000 -73.78131 -71.41236 2.36895 1.92675 -72.43633 547.90360
4640.0000 -74.31631 -71.72096 2.59535 2.05541 -71.16665 668.45986
4645.0000 -73.18752 -71.25196 1.93556 2.04418 -71.27745 622.39125
4650.0000 -73.98711 -72.12207 1.86504 2.02382 -71.47835 617.23255
4655.0000 -74.57335 -72.21853 2.35482 1.93445 -72.36032 539.15381
4660.0000 -74.22735 -71.92209 2.30525 1.94583 -72.24800 555.83987
4665.0000 -73.78617 -71.27663 2.50954 2.04489 -71.27048 669.16573
4670.0000 -73.92807 -71.61780 2.31027 2.02919 -71.42536 644.61761
4675.0000 -74.53948 -71.81132 2.72817 1.96448 -72.06400 606.94936
4680.0000 -73.91867 -71.22946 2.68921 2.02822 -71.43498 670.44398
4685.0000 -74.15636 -71.86984 2.28652 2.00056 -71.70793 602.93665
4690.0000 -73.72151 -71.35267 2.36884 2.00588 -71.65548 590.74130
4695.0000 -73.44497 -71.08745 2.35752 2.05509 -71.16978 618.97150
4700.0000 -74.23493 -71.16985 3.06508 2.05915 -71.12970 663.09579
4705.0000 -73.03233 -70.31450 2.71782 2.06132 -71.10833 657.75785
4710.0000 -74.00170 -71.37864 2.62307 2.11178 -70.61038 691.50606
4715.0000 -73.47588 -71.56116 1.91472 2.03575 -71.36064 641.49880
4720.0000 -73.96335 -71.28181 2.68154 2.05294 -71.19101 680.54252
4725.0000 -74.05460 -71.41785 2.63675 1.99970 -71.71638 635.38254
4730.0000 -74.50719 -72.75309 1.75411 1.99273 -71.78523 582.80026
4735.0000 -74.29814 -72.31598 1.98216 1.92517 -72.45195 541.03261
4740.0000 -74.07663 -72.02323 2.05340 1.96594 -72.04958 568.58657
4745.0000 -74.75536 -72.25371 2.50165 1.94800 -72.22663 553.71360
4750.0000 -74.59228 -72.45437 2.13791 1.94857 -72.22094 623.31433
FREEZING PROCESS: loop number 20 T-loop= 615.00000000000000
main_MD> interactions number 20 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.86079 1.13825 -0.12547
force_rgl> df(natom) 0.00298 2.15197 -0.68142
4755.0000 -73.98553 -72.35858 1.62695 1.94023 -72.30326 559.80420
4760.0000 -74.43595 -71.68511 2.75084 1.97816 -71.92898 612.85661
4765.0000 -74.25820 -71.98480 2.27339 2.01158 -71.59917 619.14751
4770.0000 -74.16048 -71.69536 2.46512 1.97384 -71.97157 568.46307
4775.0000 -73.82105 -71.78995 2.03111 1.97582 -71.95202 578.95734
4780.0000 -74.85128 -72.62892 2.22236 1.95294 -72.17790 584.81108
4785.0000 -74.34635 -71.80966 2.53669 1.97048 -72.00478 616.08178
4790.0000 -74.35365 -71.69943 2.65422 1.99244 -71.78808 618.24224
4795.0000 -74.18736 -72.14648 2.04088 2.02295 -71.48702 660.60641
4800.0000 -74.24738 -71.93489 2.31249 1.94087 -72.29699 547.05978
4805.0000 -74.37378 -72.30271 2.07108 1.99175 -71.79488 622.49491
4810.0000 -74.04507 -71.84871 2.19636 1.98321 -71.87918 595.39352
4815.0000 -74.33512 -72.10120 2.23393 1.96491 -72.05975 579.61722
4820.0000 -74.63681 -72.42655 2.21026 1.96544 -72.05454 603.49332
4825.0000 -74.39451 -71.54518 2.84933 1.92470 -72.45654 550.82360
4830.0000 -74.23931 -71.17753 3.06178 2.05987 -71.12267 682.21151
4835.0000 -73.55265 -71.34968 2.20296 2.09518 -70.77415 682.41874
4840.0000 -74.40995 -71.81699 2.59296 2.02554 -71.46145 633.41234
4845.0000 -74.31111 -71.67595 2.63517 2.01634 -71.55220 661.87623
4850.0000 -74.39296 -71.94739 2.44557 1.98070 -71.90394 624.49893
4855.0000 -73.61454 -71.71399 1.90055 1.96190 -72.08939 545.63589
4860.0000 -74.77535 -72.64978 2.12557 1.97276 -71.98230 558.83627
4865.0000 -74.99200 -72.60175 2.39025 1.92024 -72.50052 543.49548
4870.0000 -75.14355 -72.70672 2.43683 1.89866 -72.71353 505.19441
4875.0000 -74.31885 -72.25868 2.06018 1.91674 -72.53506 535.88422
4880.0000 -74.97984 -72.36177 2.61806 1.93885 -72.31693 559.39439
4885.0000 -74.43109 -72.96953 1.46156 1.93774 -72.32790 567.48008
4890.0000 -75.05105 -73.40531 1.64574 1.91377 -72.56435 550.74333
4895.0000 -74.10340 -71.72135 2.38205 1.88298 -72.86824 516.02787
4900.0000 -74.24120 -71.97465 2.26655 1.94503 -72.25587 564.67883
4905.0000 -73.99821 -71.44477 2.55344 1.97718 -71.93870 584.17249
4910.0000 -75.14746 -72.49294 2.65452 1.96171 -72.09135 586.88776
4915.0000 -74.45175 -71.75539 2.69636 2.00179 -71.69578 618.78492
4920.0000 -74.73626 -72.00144 2.73482 1.95815 -72.12641 590.61631
4925.0000 -73.30734 -71.27741 2.02993 2.02073 -71.50893 647.86182
4930.0000 -73.85882 -71.26013 2.59869 2.00631 -71.65118 616.00859
4935.0000 -73.78539 -70.95737 2.82803 2.04712 -71.24843 669.28992
4940.0000 -73.26228 -70.29853 2.96375 2.09882 -70.73823 670.00696
4945.0000 -73.97213 -71.19354 2.77859 2.07976 -70.92640 698.22299
4950.0000 -73.40662 -69.84488 3.56174 2.13616 -70.36984 714.31494
4955.0000 -73.76435 -70.54595 3.21839 2.09969 -70.72973 703.37028
4960.0000 -73.89759 -71.33812 2.55946 2.01844 -71.53144 619.86512
4965.0000 -74.09076 -71.73977 2.35100 2.03153 -71.40236 611.83120
4970.0000 -74.29531 -72.05946 2.23584 1.97437 -71.96635 561.61998
4975.0000 -73.77303 -71.77594 1.99708 1.98661 -71.84555 572.33714
4980.0000 -74.20139 -72.09808 2.10330 1.95770 -72.13090 535.10988
4985.0000 -74.11698 -71.60011 2.51687 1.96722 -72.03696 575.14815
4990.0000 -74.20387 -71.81262 2.39125 1.99909 -71.72242 613.75039
4995.0000 -73.88557 -71.80419 2.08139 2.00469 -71.66719 590.72611
5000.0000 -74.79854 -72.60451 2.19403 1.97064 -72.00315 561.76033
FREEZING PROCESS: loop number 21 T-loop= 590.00000000000000
main_MD> interactions number 21 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71015 0.78141 -0.19405
force_rgl> df(natom) 1.48610 -0.22316 2.47008
5005.0000 -74.34437 -72.41637 1.92800 1.91740 -72.52858 515.33600
5010.0000 -74.21533 -72.04302 2.17231 1.99062 -71.80597 574.52038
5015.0000 -74.50318 -72.03811 2.46507 1.96712 -72.03796 596.82994
5020.0000 -74.67909 -72.04433 2.63476 1.97333 -71.97660 605.16240
5025.0000 -74.26329 -72.08729 2.17600 1.96782 -72.03097 574.92449
5030.0000 -74.87232 -72.81361 2.05872 1.93191 -72.38535 541.50482
5035.0000 -74.74920 -72.29671 2.45249 1.89612 -72.73861 483.13448
5040.0000 -73.91963 -71.95663 1.96300 1.92994 -72.40479 536.08808
5045.0000 -74.18067 -72.55538 1.62530 1.97860 -71.92466 582.53925
5050.0000 -74.26904 -71.72968 2.53936 1.98808 -71.83106 571.39960
5055.0000 -74.52342 -72.14960 2.37382 2.00559 -71.65827 616.99875
5060.0000 -74.67856 -72.53872 2.13984 1.94361 -72.26988 586.35860
5065.0000 -74.65800 -72.38658 2.27142 1.92176 -72.48551 527.29641
5070.0000 -74.84682 -72.44790 2.39892 1.96164 -72.09195 600.21266
5075.0000 -74.15746 -71.57002 2.58745 1.96294 -72.07917 581.14201
5080.0000 -74.02397 -71.11611 2.90786 2.03637 -71.35453 611.21029
5085.0000 -74.40173 -72.34887 2.05286 1.99561 -71.75679 614.47598
5090.0000 -74.73392 -72.43353 2.30039 1.95562 -72.15141 585.73707
5095.0000 -73.60359 -71.00395 2.59964 2.00048 -71.70872 607.41766
5100.0000 -74.19598 -72.17322 2.02276 2.02764 -71.44067 629.56540
5105.0000 -75.07052 -72.27562 2.79490 1.97124 -71.99726 594.55707
5110.0000 -73.62888 -71.68003 1.94886 2.00044 -71.70909 597.08788
5115.0000 -72.97598 -71.03195 1.94402 2.05426 -71.17796 638.46040
5120.0000 -73.82259 -71.38191 2.44068 2.05547 -71.16610 642.62518
5125.0000 -74.79218 -72.44558 2.34661 1.95011 -72.20576 517.62394
5130.0000 -74.86779 -72.96126 1.90654 1.89478 -72.75176 495.32602
5135.0000 -75.15562 -72.57704 2.57858 1.91281 -72.57389 536.29058
5140.0000 -74.87725 -72.94112 1.93613 1.89372 -72.76228 512.78041
5145.0000 -74.97492 -72.75392 2.22100 1.90575 -72.64350 522.02409
5150.0000 -74.45646 -71.96176 2.49470 1.94331 -72.27287 588.17654
5155.0000 -74.62332 -72.50978 2.11354 1.95231 -72.18407 542.89332
5160.0000 -74.81384 -72.55513 2.25871 1.93754 -72.32979 538.37399
5165.0000 -74.73795 -72.08426 2.65369 1.91509 -72.55136 535.47071
5170.0000 -74.56879 -72.04727 2.52151 1.98366 -71.87466 618.85151
5175.0000 -74.30775 -71.67058 2.63717 1.99753 -71.73787 596.82783
5180.0000 -74.05807 -71.74061 2.31746 1.98362 -71.87507 602.10488
5185.0000 -75.08858 -72.34963 2.73895 1.95336 -72.17371 557.01838
5190.0000 -74.18921 -71.64058 2.54863 1.93603 -72.34470 553.83368
5195.0000 -74.72457 -72.27509 2.44948 1.98242 -71.88699 602.37917
5200.0000 -74.67426 -71.65772 3.01653 1.94296 -72.27635 589.27804
5205.0000 -74.37030 -71.97662 2.39368 2.00341 -71.67983 626.88929
5210.0000 -73.96429 -71.74984 2.21445 1.97324 -71.97757 582.74928
5215.0000 -74.44894 -71.92508 2.52386 2.00091 -71.70446 634.75697
5220.0000 -73.24726 -70.85331 2.39395 2.01737 -71.54208 631.33876
5225.0000 -73.41928 -71.27189 2.14739 2.10005 -70.72615 667.86101
5230.0000 -74.09839 -71.70796 2.39044 2.02622 -71.45472 596.40099
5235.0000 -74.52868 -72.01681 2.51187 2.00822 -71.63237 652.21575
5240.0000 -74.25284 -72.15595 2.09688 1.96002 -72.10801 588.05140
5245.0000 -73.97791 -71.66585 2.31206 1.97435 -71.96660 597.15621
5250.0000 -74.33382 -71.88199 2.45183 2.01184 -71.59666 629.05344
FREEZING PROCESS: loop number 22 T-loop= 565.00000000000000
main_MD> interactions number 22 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78171 2.53387 -2.54826
force_rgl> df(natom) 1.83207 0.91059 0.38449
5255.0000 -74.37409 -72.16271 2.21138 1.98186 -71.89251 598.95904
5260.0000 -74.89305 -72.80772 2.08532 1.92831 -72.42092 537.25976
5265.0000 -74.86137 -72.54638 2.31499 1.92071 -72.49592 546.58591
5270.0000 -74.57208 -72.71797 1.85411 1.95181 -72.18901 562.81910
5275.0000 -74.37987 -71.93907 2.44080 1.94243 -72.28153 559.51918
5280.0000 -74.97767 -72.36051 2.61717 1.93965 -72.30898 541.13413
5285.0000 -73.89720 -71.61558 2.28162 1.98259 -71.88523 580.27352
5290.0000 -75.09034 -72.81304 2.27731 1.93685 -72.33665 558.55917
5295.0000 -74.87931 -72.53903 2.34027 1.89340 -72.76544 521.76992
5300.0000 -74.37284 -72.09134 2.28150 1.93331 -72.37162 564.05048
5305.0000 -74.50087 -72.63255 1.86832 1.91741 -72.52844 531.82529
5310.0000 -74.80787 -72.41787 2.39000 1.93052 -72.39908 544.34151
5315.0000 -74.03337 -71.68404 2.34934 1.94996 -72.20722 540.80349
5320.0000 -74.11995 -71.50540 2.61455 2.02616 -71.45529 617.74975
5325.0000 -74.13579 -71.81798 2.31781 2.02853 -71.43192 652.15560
5330.0000 -74.70367 -72.13507 2.56860 1.98593 -71.85225 599.00575
5335.0000 -74.78797 -72.96744 1.82053 1.91680 -72.53450 561.25006
5340.0000 -74.18469 -71.92380 2.26088 1.91129 -72.58888 526.37085
5345.0000 -74.77305 -72.56202 2.21103 1.94356 -72.27038 563.80591
5350.0000 -74.64246 -72.88727 1.75519 1.88995 -72.79946 518.88418
5355.0000 -74.67628 -72.75863 1.91765 1.90019 -72.69841 533.76935
5360.0000 -73.94853 -71.82165 2.12688 1.93565 -72.34851 569.46438
5365.0000 -74.24108 -71.96398 2.27710 1.98393 -71.87207 589.44029
5370.0000 -74.54816 -72.12459 2.42357 1.91454 -72.55679 527.36773
5375.0000 -74.52718 -72.27230 2.25488 1.94939 -72.21289 556.37419
5380.0000 -75.13291 -72.78476 2.34815 1.91302 -72.57176 513.31668
5385.0000 -74.17211 -72.34546 1.82665 1.90866 -72.61481 525.51009
5390.0000 -73.89298 -71.78347 2.10952 1.96921 -72.01728 580.26070
5395.0000 -74.35949 -72.19856 2.16092 2.00978 -71.61696 598.65657
5400.0000 -74.69108 -72.88095 1.81014 1.91885 -72.51422 545.63829
5405.0000 -74.15250 -72.23018 1.92233 1.91192 -72.58262 518.02351
5410.0000 -74.61820 -72.21768 2.40052 1.92778 -72.42611 521.46336
5415.0000 -73.90396 -71.83029 2.07367 1.96225 -72.08596 542.79113
5420.0000 -74.16533 -72.07120 2.09413 1.96490 -72.05986 591.23936
5425.0000 -74.77591 -72.37801 2.39790 1.94580 -72.24834 576.96000
5430.0000 -74.70270 -72.57409 2.12861 1.88708 -72.82778 518.03281
5435.0000 -74.68615 -72.18904 2.49711 1.94151 -72.29066 553.65936
5440.0000 -74.35255 -71.64249 2.71006 1.96853 -72.02396 589.02300
5445.0000 -74.55885 -72.43353 2.12532 1.96538 -72.05510 576.79355
5450.0000 -74.53109 -72.35367 2.17742 1.92589 -72.44478 526.36939
5455.0000 -74.55119 -71.86972 2.68147 1.97444 -71.96573 583.61985
5460.0000 -74.91385 -72.67440 2.23945 1.95232 -72.18394 582.26015
5465.0000 -74.24447 -72.13123 2.11324 1.95385 -72.16886 580.78924
5470.0000 -74.39251 -72.09851 2.29400 1.93646 -72.34050 550.51423
5475.0000 -74.74608 -72.41648 2.32960 1.96133 -72.09504 574.21152
5480.0000 -74.85529 -72.81769 2.03760 1.86650 -73.03091 489.05496
5485.0000 -75.03197 -72.82480 2.20717 1.89531 -72.74661 527.46363
5490.0000 -74.36671 -71.94790 2.41881 1.94591 -72.24723 565.31786
5495.0000 -74.29963 -72.00374 2.29589 1.96781 -72.03116 561.14164
5500.0000 -73.95969 -71.58989 2.36980 2.00241 -71.68967 642.32240
FREEZING PROCESS: loop number 23 T-loop= 540.00000000000000
main_MD> interactions number 23 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57403 -0.56506 2.77547
force_rgl> df(natom) -0.72182 0.97327 3.14058
5505.0000 -74.50815 -72.39653 2.11162 1.95419 -72.16551 548.59743
5510.0000 -75.10506 -72.37501 2.73005 1.97114 -71.99827 594.85905
5515.0000 -74.87047 -73.07971 1.79076 1.89301 -72.76928 520.02550
5520.0000 -74.99128 -73.36761 1.62367 1.84579 -73.23521 479.08189
5525.0000 -74.88379 -72.66647 2.21733 1.84877 -73.20579 469.48419
5530.0000 -75.14168 -73.08978 2.05191 1.87943 -72.90330 502.37216
5535.0000 -74.73363 -72.49896 2.23467 1.90203 -72.68020 511.91589
5540.0000 -74.13233 -72.75941 1.37292 1.92448 -72.45871 542.69081
5545.0000 -75.30614 -73.45122 1.85492 1.89059 -72.79312 501.74328
5550.0000 -74.53811 -72.61260 1.92552 1.85248 -73.16922 454.91575
5555.0000 -74.43422 -72.34588 2.08835 1.92714 -72.43244 556.70691
5560.0000 -74.54645 -72.07225 2.47420 1.96888 -72.02051 602.65422
5565.0000 -74.23004 -72.17971 2.05034 1.93899 -72.31550 525.67710
5570.0000 -74.61832 -72.47060 2.14772 1.90638 -72.63729 507.42982
5575.0000 -75.12838 -72.68742 2.44095 1.88403 -72.85785 510.40275
5580.0000 -74.60051 -72.00733 2.59317 1.93362 -72.36851 550.00167
5585.0000 -74.59940 -72.53316 2.06624 1.91358 -72.56631 493.99377
5590.0000 -74.28114 -72.28424 1.99690 1.89494 -72.75018 502.18323
5595.0000 -74.72961 -72.23144 2.49817 1.96359 -72.07271 604.69817
5600.0000 -74.78046 -72.16284 2.61763 1.98829 -71.82900 594.38477
5605.0000 -74.80733 -72.95081 1.85652 1.90410 -72.65986 528.92541
5610.0000 -74.61553 -71.97667 2.63886 1.91272 -72.57472 531.55758
5615.0000 -74.73588 -72.54351 2.19237 1.89872 -72.71290 510.70653
5620.0000 -74.46858 -72.22447 2.24412 1.95409 -72.16647 570.27679
5625.0000 -75.17125 -72.83489 2.33635 1.89315 -72.76791 520.76438
5630.0000 -74.65631 -72.25515 2.40116 1.89718 -72.72812 545.58136
5635.0000 -74.16919 -72.06164 2.10756 1.94292 -72.27670 579.86358
5640.0000 -74.71245 -72.75987 1.95258 1.94746 -72.23192 574.30341
5645.0000 -74.78997 -72.66467 2.12531 1.91096 -72.59217 514.39010
5650.0000 -74.31654 -71.99293 2.32362 1.93899 -72.31549 559.16607
5655.0000 -74.89471 -72.51345 2.38126 1.93024 -72.40187 550.16877
5660.0000 -74.89173 -72.77491 2.11682 1.89682 -72.73168 529.53039
5665.0000 -74.70887 -72.18614 2.52272 1.91299 -72.57210 547.23651
5670.0000 -73.78757 -71.90549 1.88208 1.98274 -71.88381 566.93303
5675.0000 -74.36891 -71.87999 2.48892 2.00726 -71.64178 551.10904
5680.0000 -74.06230 -71.30769 2.75461 1.98911 -71.82096 588.02709
5685.0000 -74.47108 -71.51743 2.95365 2.01846 -71.53127 585.04265
5690.0000 -74.10501 -71.30346 2.80155 1.99699 -71.74317 577.21509
5695.0000 -74.54687 -72.23786 2.30901 2.01448 -71.57056 605.99727
5700.0000 -74.64634 -72.59924 2.04710 1.94309 -72.27509 530.28965
5705.0000 -75.24323 -72.77620 2.46702 1.87853 -72.91218 456.75650
5710.0000 -74.44420 -72.71723 1.72697 1.90664 -72.63480 485.01303
5715.0000 -74.48922 -72.11989 2.36933 1.92633 -72.44047 501.55269
5720.0000 -74.72419 -72.58296 2.14123 1.92897 -72.41441 542.40226
5725.0000 -74.91907 -72.95276 1.96631 1.91375 -72.56459 501.60809
5730.0000 -74.68055 -72.37244 2.30812 1.88599 -72.83855 490.71164
5735.0000 -73.94741 -71.84263 2.10478 1.94354 -72.27065 558.83820
5740.0000 -74.46625 -72.03902 2.42724 1.97464 -71.96376 602.27379
5745.0000 -73.76702 -71.50732 2.25969 1.97450 -71.96511 551.60116
5750.0000 -74.37344 -71.78149 2.59195 1.98610 -71.85061 573.45995
FREEZING PROCESS: loop number 24 T-loop= 515.00000000000000
main_MD> interactions number 24 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04660 3.17262 -5.32845
force_rgl> df(natom) -1.69991 -3.88936 -2.40333
5755.0000 -74.24314 -72.05964 2.18350 1.98961 -71.81597 583.08775
5760.0000 -74.76693 -72.37654 2.39039 1.97076 -72.00204 545.35108
5765.0000 -74.37113 -72.66372 1.70741 1.93543 -72.35061 534.25057
5770.0000 -74.57536 -72.59922 1.97614 1.92947 -72.40950 506.47397
5775.0000 -75.28406 -72.68900 2.59506 1.90319 -72.66880 502.85905
5780.0000 -75.51326 -73.28360 2.22966 1.89181 -72.78115 514.39762
5785.0000 -74.09671 -71.94583 2.15088 1.93567 -72.34825 529.83347
5790.0000 -74.27969 -72.06978 2.20991 1.95708 -72.13701 522.16612
5795.0000 -75.08342 -73.02065 2.06277 1.91335 -72.56855 519.32571
5800.0000 -75.46326 -73.10479 2.35847 1.87420 -72.95490 487.94735
5805.0000 -75.14001 -72.54172 2.59829 1.89599 -72.73987 508.52682
5810.0000 -74.93102 -72.37201 2.55902 1.89303 -72.76910 499.09875
5815.0000 -74.05143 -72.56494 1.48649 1.92967 -72.40745 539.87862
5820.0000 -75.32200 -72.91720 2.40480 1.89823 -72.71770 512.90883
5825.0000 -75.37330 -73.04321 2.33009 1.84881 -73.20540 472.63984
5830.0000 -75.44314 -73.57641 1.86672 1.84923 -73.20129 464.38017
5835.0000 -75.01097 -73.38247 1.62850 1.82220 -73.46806 450.99623
5840.0000 -74.52254 -72.52453 1.99801 1.92266 -72.47662 538.50867
5845.0000 -75.14198 -73.14092 2.00106 1.89191 -72.78016 515.19265
5850.0000 -74.02054 -71.78552 2.23503 1.91666 -72.53583 544.15044
5855.0000 -74.82280 -72.32915 2.49365 1.97475 -71.96261 600.79196
5860.0000 -74.58024 -72.38912 2.19112 1.93906 -72.31482 562.23932
5865.0000 -75.15783 -73.28761 1.87022 1.90740 -72.62730 540.00505
5870.0000 -75.34601 -73.68340 1.66262 1.84698 -73.22353 481.08424
5875.0000 -74.04925 -72.15047 1.89877 1.87081 -72.98832 509.39460
5880.0000 -74.13573 -72.17234 1.96339 1.96771 -72.03214 586.41028
5885.0000 -75.11744 -72.79436 2.32308 1.89953 -72.70489 527.21294
5890.0000 -74.91822 -72.74718 2.17104 1.91585 -72.54384 521.51908
5895.0000 -75.30846 -73.28159 2.02687 1.85010 -73.19267 477.27935
5900.0000 -74.85223 -72.96630 1.88594 1.87152 -72.98136 489.67650
5905.0000 -74.96123 -73.00654 1.95469 1.88691 -72.82947 503.10144
5910.0000 -74.97756 -73.74763 1.22993 1.83111 -73.38007 453.08540
5915.0000 -74.70373 -73.38196 1.32177 1.81592 -73.52999 439.54995
5920.0000 -75.21338 -73.61410 1.59928 1.80280 -73.65952 406.59140
5925.0000 -75.63460 -73.28633 2.34826 1.83009 -73.39013 448.56821
5930.0000 -75.31181 -73.08553 2.22628 1.89498 -72.74984 498.49001
5935.0000 -74.23570 -72.35027 1.88542 1.94701 -72.23634 545.65545
5940.0000 -74.84036 -72.67265 2.16772 1.89704 -72.72953 516.81326
5945.0000 -74.71685 -72.80635 1.91050 1.89724 -72.72753 528.10383
5950.0000 -75.09441 -73.11069 1.98371 1.87871 -72.91033 486.98758
5955.0000 -75.09683 -72.94457 2.15226 1.84597 -73.23351 480.14447
5960.0000 -74.95581 -72.80849 2.14731 1.88233 -72.87465 508.36123
5965.0000 -74.84485 -72.87290 1.97195 1.87559 -72.94116 478.43064
5970.0000 -75.12418 -72.81090 2.31328 1.90305 -72.67019 511.75967
5975.0000 -74.75982 -72.89795 1.86187 1.88582 -72.84017 503.57328
5980.0000 -74.65343 -72.63832 2.01511 1.88173 -72.88056 497.92593
5985.0000 -74.48126 -72.39112 2.09014 1.88210 -72.87691 472.32226
5990.0000 -75.02729 -72.53908 2.48821 1.93173 -72.38711 540.07773
5995.0000 -74.92439 -72.85680 2.06759 1.89501 -72.74949 526.41880
6000.0000 -74.52491 -72.33208 2.19283 1.88258 -72.87215 512.22788
FREEZING PROCESS: loop number 25 T-loop= 490.00000000000000
main_MD> interactions number 25 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29457 -1.71564 -0.96485
force_rgl> df(natom) 0.62983 0.86549 -2.27151
6005.0000 -74.10360 -72.17239 1.93121 1.92999 -72.40428 549.84555
6010.0000 -74.48001 -72.89193 1.58808 1.94132 -72.29250 549.18635
6015.0000 -75.16067 -73.33510 1.82558 1.85893 -73.10559 447.78965
6020.0000 -75.35707 -73.70732 1.64975 1.85044 -73.18940 442.46579
6025.0000 -75.19482 -72.97599 2.21883 1.85546 -73.13982 460.94263
6030.0000 -75.56223 -74.20214 1.36008 1.80742 -73.61393 420.68147
6035.0000 -75.56875 -74.19527 1.37348 1.74144 -74.26502 342.95975
6040.0000 -75.38585 -73.84592 1.53993 1.75356 -74.14541 364.72198
6045.0000 -75.17241 -72.85457 2.31784 1.84016 -73.29078 473.86912
6050.0000 -75.22236 -73.53304 1.68932 1.81498 -73.53930 421.74393
6055.0000 -75.39708 -72.96925 2.42783 1.87825 -72.91488 505.20121
6060.0000 -75.00010 -72.97861 2.02148 1.89693 -72.73056 539.28235
6065.0000 -74.86553 -72.77649 2.08903 1.87354 -72.96142 508.35835
6070.0000 -75.01375 -72.52938 2.48437 1.88667 -72.83180 506.82909
6075.0000 -74.97730 -72.51175 2.46555 1.92423 -72.46122 554.74349
6080.0000 -75.16884 -72.97152 2.19731 1.89550 -72.74465 507.78499
6085.0000 -74.61052 -72.78681 1.82370 1.90982 -72.60343 519.45870
6090.0000 -75.04724 -72.94004 2.10720 1.89287 -72.77063 520.58642
6095.0000 -74.94084 -73.11083 1.83001 1.85953 -73.09962 460.59017
6100.0000 -74.22881 -72.16689 2.06192 1.89131 -72.78606 474.16464
6105.0000 -74.73529 -73.06394 1.67135 1.91739 -72.52864 514.30174
6110.0000 -74.38292 -72.13541 2.24751 1.90115 -72.68894 491.07023
6115.0000 -74.57255 -72.48687 2.08568 1.92162 -72.48695 494.61561
6120.0000 -75.23779 -73.68043 1.55736 1.85566 -73.13787 463.74496
6125.0000 -74.60719 -72.58619 2.02100 1.83770 -73.31506 452.82707
6130.0000 -74.53561 -72.27596 2.25964 1.91601 -72.54231 545.41918
6135.0000 -74.81060 -72.89080 1.91980 1.93077 -72.39665 546.49708
6140.0000 -75.25116 -72.62450 2.62667 1.87354 -72.96141 488.31872
6145.0000 -74.96468 -72.94043 2.02425 1.86878 -73.00833 498.79595
6150.0000 -74.78461 -73.25768 1.52693 1.84509 -73.24216 476.17501
6155.0000 -75.20923 -73.36118 1.84804 1.85482 -73.14615 462.38279
6160.0000 -74.98997 -73.16137 1.82860 1.85389 -73.15534 475.12358
6165.0000 -75.21519 -73.08877 2.12642 1.86325 -73.06297 493.60800
6170.0000 -74.78965 -72.94491 1.84475 1.86172 -73.07800 493.54898
6175.0000 -74.43559 -72.58855 1.84704 1.93263 -72.37831 543.11140
6180.0000 -74.99262 -73.09230 1.90031 1.86113 -73.08387 459.27127
6185.0000 -75.29795 -73.28690 2.01105 1.83645 -73.32742 444.39417
6190.0000 -74.91542 -73.63137 1.28405 1.83196 -73.37174 455.56223
6195.0000 -74.95614 -73.16476 1.79138 1.84496 -73.24340 465.37659
6200.0000 -74.62660 -72.14869 2.47791 1.87866 -72.91088 484.13792
6205.0000 -74.47464 -72.63247 1.84217 1.90653 -72.63584 527.45015
6210.0000 -74.70485 -72.99334 1.71151 1.90466 -72.65432 501.70137
6215.0000 -75.65051 -73.78410 1.86642 1.81808 -73.50873 434.28014
6220.0000 -74.72060 -73.07685 1.64375 1.81403 -73.54866 435.46469
6225.0000 -75.39409 -73.81048 1.58361 1.86811 -73.01499 496.93837
6230.0000 -74.85612 -73.19765 1.65847 1.81057 -73.58279 433.84847
6235.0000 -74.95671 -72.98215 1.97456 1.88113 -72.88653 483.80947
6240.0000 -74.34474 -72.10964 2.23510 1.91652 -72.53725 532.65248
6245.0000 -74.31210 -71.70351 2.60859 1.98532 -71.85832 569.14666
6250.0000 -73.92156 -71.45349 2.46807 2.01763 -71.53950 619.42400
FREEZING PROCESS: loop number 26 T-loop= 465.00000000000000
main_MD> interactions number 26 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85852 -0.99059 -0.31924
force_rgl> df(natom) 1.22963 -0.42812 -0.25292
6255.0000 -75.13708 -73.12131 2.01577 1.93267 -72.37793 528.70472
6260.0000 -74.79457 -72.71935 2.07522 1.87673 -72.92994 472.67565
6265.0000 -75.30084 -72.78063 2.52021 1.90473 -72.65361 534.53639
6270.0000 -75.36551 -73.43581 1.92970 1.84675 -73.22572 493.17713
6275.0000 -75.27380 -73.10106 2.17274 1.84978 -73.19583 475.11888
6280.0000 -74.79001 -72.62219 2.16783 1.89465 -72.75311 510.70093
6285.0000 -74.66999 -72.66734 2.00265 1.91824 -72.52024 547.49864
6290.0000 -74.81469 -73.28861 1.52609 1.88851 -72.81366 499.90957
6295.0000 -75.19731 -73.37025 1.82705 1.86791 -73.01698 465.85512
6300.0000 -75.30999 -73.18727 2.12273 1.83297 -73.36178 459.26669
6305.0000 -74.95284 -73.15244 1.80040 1.86058 -73.08927 479.95889
6310.0000 -75.41528 -73.57175 1.84353 1.83935 -73.29879 475.12427
6315.0000 -75.62084 -73.68514 1.93570 1.78078 -73.87680 411.91992
6320.0000 -75.50313 -73.08009 2.42304 1.82745 -73.41627 463.63397
6325.0000 -75.52802 -73.77130 1.75672 1.82476 -73.44282 456.81618
6330.0000 -75.66174 -73.30267 2.35907 1.82589 -73.43166 484.13095
6335.0000 -75.26081 -73.29535 1.96546 1.81887 -73.50091 456.87274
6340.0000 -75.43198 -73.02886 2.40313 1.85473 -73.14700 463.85968
6345.0000 -75.43839 -73.40181 2.03658 1.85271 -73.16698 483.57919
6350.0000 -75.03967 -73.41616 1.62350 1.81678 -73.52152 426.95526
6355.0000 -74.99350 -73.14960 1.84390 1.82304 -73.45970 439.94289
6360.0000 -75.04924 -73.30353 1.74571 1.84706 -73.22274 448.19183
6365.0000 -75.71423 -73.72271 1.99152 1.80303 -73.65722 429.82749
6370.0000 -74.99480 -72.75368 2.24112 1.83004 -73.39069 474.13892
6375.0000 -74.72202 -72.63605 2.08597 1.89715 -72.72842 523.64090
6380.0000 -74.77438 -72.60273 2.17164 1.91524 -72.54986 516.20261
6385.0000 -74.90985 -72.78052 2.12934 1.89739 -72.72608 535.80836
6390.0000 -75.17868 -73.28037 1.89831 1.86325 -73.06298 479.83883
6395.0000 -74.52636 -72.54801 1.97835 1.86714 -73.02451 493.79792
6400.0000 -74.76060 -72.35467 2.40594 1.90511 -72.64984 538.62879
6405.0000 -75.07653 -73.02639 2.05014 1.87126 -72.98392 492.82110
6410.0000 -74.58102 -72.76535 1.81567 1.89538 -72.74586 501.00316
6415.0000 -74.52133 -72.39535 2.12598 1.92480 -72.45553 540.41652
6420.0000 -75.16150 -72.76082 2.40067 1.89821 -72.71797 523.31172
6425.0000 -74.71423 -72.80947 1.90476 1.90162 -72.68434 502.55530
6430.0000 -74.68721 -72.22969 2.45752 1.91384 -72.56366 536.98470
6435.0000 -74.90627 -72.86895 2.03732 1.89029 -72.79608 529.13048
6440.0000 -75.26581 -72.70246 2.56336 1.90122 -72.68829 528.43415
6445.0000 -75.39065 -72.97950 2.41116 1.86454 -73.05022 498.22280
6450.0000 -74.92400 -72.91337 2.01063 1.88294 -72.86865 507.56363
6455.0000 -75.19811 -73.25102 1.94709 1.87894 -72.90813 485.11694
6460.0000 -75.35055 -73.66653 1.68402 1.82218 -73.46827 455.73344
6465.0000 -75.19443 -73.54841 1.64602 1.78554 -73.82984 392.29333
6470.0000 -75.15957 -73.54660 1.61298 1.80395 -73.64809 424.78492
6475.0000 -74.73966 -73.05822 1.68144 1.83179 -73.37344 454.57562
6480.0000 -75.11160 -73.15336 1.95824 1.85715 -73.12317 503.84971
6485.0000 -75.24772 -73.58104 1.66668 1.87155 -72.98105 499.20416
6490.0000 -75.27280 -73.32576 1.94704 1.82056 -73.48427 428.03465
6495.0000 -75.26475 -73.52162 1.74314 1.83066 -73.38453 459.30440
6500.0000 -74.98485 -73.06024 1.92461 1.84829 -73.21056 475.29143
FREEZING PROCESS: loop number 27 T-loop= 440.00000000000000
main_MD> interactions number 27 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74765 0.90417 -1.05890
force_rgl> df(natom) -2.98056 2.47655 -4.32945
6505.0000 -75.47777 -73.61058 1.86719 1.83151 -73.37614 442.99438
6510.0000 -75.28525 -73.76046 1.52479 1.81941 -73.49556 435.60243
6515.0000 -75.77991 -74.39629 1.38361 1.76707 -74.01206 380.53307
6520.0000 -75.84875 -73.73918 2.10957 1.78016 -73.88286 406.87137
6525.0000 -74.69257 -72.95863 1.73395 1.82508 -73.43958 435.16978
6530.0000 -75.68691 -73.70978 1.97713 1.85945 -73.10041 467.92467
6535.0000 -75.57590 -73.90421 1.67168 1.78018 -73.88272 381.01176
6540.0000 -75.20559 -73.58611 1.61948 1.78549 -73.83026 397.76806
6545.0000 -75.22906 -73.62026 1.60880 1.82424 -73.44788 436.21477
6550.0000 -75.29615 -73.72921 1.56694 1.81121 -73.57646 398.16298
6555.0000 -75.67054 -74.15574 1.51479 1.76394 -74.04293 378.25119
6560.0000 -75.17988 -73.40499 1.77489 1.77312 -73.95233 393.81944
6565.0000 -74.85024 -72.87934 1.97090 1.86885 -73.00771 469.39850
6570.0000 -75.50339 -73.44774 2.05565 1.87858 -72.91166 497.94856
6575.0000 -75.59983 -73.36247 2.23735 1.84139 -73.27867 453.38850
6580.0000 -74.72312 -73.17113 1.55199 1.86421 -73.05345 500.45280
6585.0000 -75.28719 -73.27414 2.01305 1.84445 -73.24851 465.98978
6590.0000 -75.03680 -73.22880 1.80800 1.83360 -73.35556 476.83812
6595.0000 -74.87041 -73.11404 1.75637 1.84376 -73.25528 459.07499
6600.0000 -75.35441 -73.74740 1.60701 1.82942 -73.39675 463.35519
6605.0000 -75.67146 -74.36885 1.30262 1.77005 -73.98268 386.56910
6610.0000 -74.77465 -73.44784 1.32682 1.76425 -74.03995 385.79388
6615.0000 -75.35603 -73.39590 1.96013 1.81483 -73.54079 437.80830
6620.0000 -75.42931 -73.99670 1.43260 1.80865 -73.60177 435.61871
6625.0000 -75.30405 -73.79127 1.51278 1.78189 -73.86584 418.86339
6630.0000 -75.03587 -73.47254 1.56333 1.81703 -73.51906 433.05417
6635.0000 -75.54693 -73.79214 1.75479 1.81198 -73.56889 406.93364
6640.0000 -75.79227 -74.27788 1.51439 1.77383 -73.94538 375.47148
6645.0000 -75.59398 -74.36198 1.23200 1.76706 -74.01221 388.78853
6650.0000 -75.01068 -72.92541 2.08527 1.80606 -73.62734 414.54039
6655.0000 -75.01899 -73.39095 1.62804 1.83771 -73.31501 462.61816
6660.0000 -74.97863 -73.10006 1.87858 1.83990 -73.29332 441.86178
6665.0000 -75.36442 -73.80275 1.56168 1.79959 -73.69116 419.31250
6670.0000 -75.32815 -73.35920 1.96895 1.83163 -73.37500 449.45337
6675.0000 -74.98476 -73.32795 1.65681 1.84176 -73.27500 480.41426
6680.0000 -74.89060 -73.71720 1.17339 1.80950 -73.59341 411.79353
6685.0000 -74.59678 -72.99443 1.60235 1.87041 -72.99225 497.03662
6690.0000 -75.02754 -73.35551 1.67203 1.86541 -73.04159 483.31206
6695.0000 -74.57573 -72.80393 1.77180 1.85454 -73.14885 466.70230
6700.0000 -74.86386 -72.95032 1.91355 1.86226 -73.07266 476.16153
6705.0000 -74.92917 -73.49643 1.43275 1.84518 -73.24131 424.92071
6710.0000 -74.99298 -73.38674 1.60624 1.81156 -73.57301 414.96351
6715.0000 -75.04560 -73.39270 1.65290 1.81248 -73.56392 414.74983
6720.0000 -74.65852 -72.83194 1.82658 1.86640 -73.03182 485.86250
6725.0000 -74.95079 -73.14888 1.80190 1.89034 -72.79560 510.43922
6730.0000 -75.31942 -73.76872 1.55070 1.81186 -73.57009 417.07661
6735.0000 -75.40388 -73.64312 1.76076 1.79961 -73.69093 417.13680
6740.0000 -74.84484 -73.10238 1.74245 1.83853 -73.30684 455.55891
6745.0000 -75.36762 -73.77855 1.58907 1.80774 -73.61071 419.49550
6750.0000 -75.29797 -73.83477 1.46320 1.81611 -73.52818 441.29690
FREEZING PROCESS: loop number 28 T-loop= 415.00000000000000
main_MD> interactions number 28 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23943 2.86874 -0.70847
force_rgl> df(natom) -0.23811 2.00371 -1.79327
6755.0000 -75.28751 -73.85899 1.42852 1.77893 -73.89505 399.97878
6760.0000 -75.55689 -73.66721 1.88968 1.79485 -73.73798 406.32586
6765.0000 -75.55354 -73.79780 1.75575 1.77505 -73.93337 395.85398
6770.0000 -75.50406 -74.08644 1.41762 1.78335 -73.85143 377.30175
6775.0000 -75.89189 -73.99465 1.89724 1.76148 -74.06721 380.85489
6780.0000 -75.26313 -73.73062 1.53251 1.78699 -73.81550 420.40703
6785.0000 -75.32269 -73.48048 1.84221 1.80687 -73.61936 397.05774
6790.0000 -75.38830 -73.72672 1.66158 1.81557 -73.53341 420.70369
6795.0000 -75.75961 -74.34177 1.41784 1.79067 -73.77915 419.02824
6800.0000 -75.67482 -74.16155 1.51327 1.74079 -74.27141 366.50583
6805.0000 -75.28425 -73.48331 1.80094 1.77970 -73.88740 384.20000
6810.0000 -75.00207 -73.79548 1.20659 1.80852 -73.60299 414.68887
6815.0000 -75.52793 -73.78867 1.73926 1.77118 -73.97147 381.42363
6820.0000 -75.18664 -73.82759 1.35904 1.79229 -73.76323 410.47178
6825.0000 -75.34810 -73.32452 2.02358 1.79220 -73.76408 415.43333
6830.0000 -75.62610 -73.88752 1.73858 1.80388 -73.64885 406.88847
6835.0000 -75.51785 -73.89509 1.62276 1.76631 -74.01955 376.72204
6840.0000 -75.69810 -74.18739 1.51070 1.75446 -74.13648 364.97381
6845.0000 -75.49746 -74.09223 1.40522 1.74631 -74.21696 361.30971
6850.0000 -75.68169 -73.52238 2.15931 1.78436 -73.84142 407.34403
6855.0000 -74.81231 -72.82476 1.98755 1.83869 -73.30527 478.95250
6860.0000 -75.40604 -73.72604 1.68001 1.81995 -73.49023 442.39618
6865.0000 -75.32352 -73.67563 1.64789 1.79164 -73.76960 405.63584
6870.0000 -75.48093 -73.73672 1.74421 1.80057 -73.68145 421.13496
6875.0000 -75.46198 -73.90578 1.55619 1.79304 -73.75577 411.95405
6880.0000 -75.66775 -74.08416 1.58359 1.78188 -73.86588 389.22627
6885.0000 -75.25443 -73.42708 1.82735 1.80029 -73.68426 406.97778
6890.0000 -75.30998 -73.79189 1.51809 1.82577 -73.43277 428.85612
6895.0000 -75.51833 -73.93384 1.58449 1.78779 -73.80763 405.70191
6900.0000 -75.75511 -73.81169 1.94341 1.79502 -73.73623 413.46431
6905.0000 -75.25187 -73.60543 1.64644 1.79216 -73.76452 405.88851
6910.0000 -75.28128 -73.58920 1.69208 1.80637 -73.62424 421.26305
6915.0000 -75.00676 -73.24611 1.76065 1.79616 -73.72500 414.91980
6920.0000 -75.26851 -73.21128 2.05723 1.88738 -72.82478 526.28393
6925.0000 -75.40085 -73.72187 1.67898 1.82410 -73.44928 455.09149
6930.0000 -75.58911 -73.61123 1.97788 1.81452 -73.54386 417.06873
6935.0000 -75.34151 -73.91860 1.42291 1.78566 -73.82866 393.10371
6940.0000 -75.81385 -74.04041 1.77344 1.79152 -73.77080 397.33794
6945.0000 -75.37759 -73.51264 1.86495 1.77376 -73.94604 382.69502
6950.0000 -75.10799 -73.49735 1.61064 1.82354 -73.45476 437.93737
6955.0000 -75.13566 -73.58769 1.54797 1.79194 -73.76664 410.61868
6960.0000 -75.70858 -73.90587 1.80271 1.78374 -73.84760 397.22234
6965.0000 -75.28545 -73.90559 1.37985 1.75824 -74.09918 361.06313
6970.0000 -75.71149 -73.67451 2.03698 1.78303 -73.85460 378.49920
6975.0000 -75.55850 -74.07765 1.48085 1.79721 -73.71461 402.14731
6980.0000 -75.29008 -73.52968 1.76040 1.78052 -73.87937 381.37875
6985.0000 -75.32632 -73.91966 1.40666 1.77456 -73.93820 380.79062
6990.0000 -75.41273 -73.85308 1.55965 1.77258 -73.95773 374.53975
6995.0000 -75.58027 -73.64105 1.93923 1.80036 -73.68352 412.02595
7000.0000 -75.19336 -73.51914 1.67421 1.81048 -73.58364 420.34376
FREEZING PROCESS: loop number 29 T-loop= 390.00000000000000
main_MD> interactions number 29 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05444 0.28959 0.07171
force_rgl> df(natom) -0.66521 0.89212 -0.83364
7005.0000 -75.54757 -73.65672 1.89085 1.80043 -73.68287 412.59161
7010.0000 -75.79760 -74.26236 1.53523 1.78529 -73.83227 401.64546
7015.0000 -75.46737 -74.02384 1.44353 1.77593 -73.92461 394.68639
7020.0000 -75.48634 -74.27333 1.21301 1.76268 -74.05543 353.03672
7025.0000 -75.37229 -74.12706 1.24523 1.75107 -74.16993 341.03976
7030.0000 -75.15919 -73.73243 1.42676 1.76571 -74.02549 378.97975
7035.0000 -75.30548 -73.62746 1.67802 1.81680 -73.52137 429.93938
7040.0000 -75.32466 -73.97102 1.35364 1.79457 -73.74073 401.34071
7045.0000 -75.62239 -74.01087 1.61152 1.75744 -74.10713 366.15315
7050.0000 -75.80881 -74.27554 1.53327 1.73885 -74.29060 358.32628
7055.0000 -75.70806 -74.57747 1.13059 1.70770 -74.59798 322.26277
7060.0000 -75.88706 -74.41196 1.47510 1.74340 -74.24569 382.44108
7065.0000 -75.70369 -74.34140 1.36229 1.76394 -74.04301 386.37268
7070.0000 -75.51741 -73.82565 1.69176 1.76464 -74.03600 377.11488
7075.0000 -75.27600 -73.72907 1.54692 1.78497 -73.83541 385.75555
7080.0000 -75.20422 -73.62013 1.58409 1.79088 -73.77709 390.07212
7085.0000 -75.60286 -73.77551 1.82735 1.79479 -73.73848 402.44370
7090.0000 -74.97544 -73.35666 1.61878 1.79534 -73.73311 405.26892
7095.0000 -75.50674 -73.49455 2.01219 1.82900 -73.40091 444.56991
7100.0000 -74.89575 -73.39996 1.49579 1.80460 -73.64173 420.14181
7105.0000 -75.54445 -74.30307 1.24138 1.77501 -73.93376 388.63605
7110.0000 -75.48867 -73.79715 1.69152 1.74800 -74.20030 359.11785
7115.0000 -75.46265 -74.39116 1.07149 1.73939 -74.28518 358.09069
7120.0000 -75.68175 -73.93106 1.75069 1.74238 -74.25568 366.41819
7125.0000 -75.43287 -74.06441 1.36846 1.77525 -73.93138 393.04455
7130.0000 -75.30055 -73.93564 1.36491 1.73480 -74.33056 345.97515
7135.0000 -75.72485 -74.26811 1.45674 1.76371 -74.04527 380.01457
7140.0000 -75.31119 -73.71997 1.59122 1.75900 -74.09174 362.55239
7145.0000 -75.31920 -73.56900 1.75020 1.80161 -73.67117 413.73888
7150.0000 -75.36971 -73.44297 1.92673 1.79917 -73.69534 423.32735
7155.0000 -75.17212 -73.47488 1.69724 1.78766 -73.80889 398.25792
7160.0000 -75.57465 -74.08321 1.49144 1.79794 -73.70746 424.25089
7165.0000 -75.20595 -73.74697 1.45898 1.77128 -73.97055 392.65183
7170.0000 -75.52365 -74.07313 1.45052 1.76940 -73.98905 402.80523
7175.0000 -75.73303 -74.33331 1.39972 1.75391 -74.14193 378.57577
7180.0000 -75.59044 -74.38309 1.20736 1.71447 -74.53113 332.91696
7185.0000 -75.71306 -74.32591 1.38715 1.73966 -74.28259 359.66393
7190.0000 -75.34494 -74.02748 1.31747 1.73064 -74.37158 329.61264
7195.0000 -75.56751 -74.12551 1.44200 1.75531 -74.12815 372.45099
7200.0000 -75.90078 -74.55490 1.34588 1.74384 -74.24128 361.98119
7205.0000 -76.00529 -74.56958 1.43571 1.72597 -74.41769 346.63073
7210.0000 -75.54101 -74.16988 1.37113 1.72055 -74.47110 346.43025
7215.0000 -75.81886 -74.56573 1.25312 1.73533 -74.32530 362.78507
7220.0000 -75.69105 -74.20187 1.48917 1.75611 -74.12023 373.48806
7225.0000 -75.46213 -74.03385 1.42828 1.75488 -74.13232 376.56662
7230.0000 -75.63018 -73.73181 1.89837 1.78629 -73.82244 407.02827
7235.0000 -75.51935 -73.84867 1.67068 1.78504 -73.83471 395.56630
7240.0000 -76.08804 -74.55439 1.53365 1.73302 -74.34813 344.04384
7245.0000 -75.66319 -74.19881 1.46438 1.71228 -74.55272 319.48705
7250.0000 -75.59284 -73.86069 1.73216 1.76946 -73.98852 385.54218
FREEZING PROCESS: loop number 30 T-loop= 365.00000000000000
main_MD> interactions number 30 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51861 -0.73505 -0.84066
force_rgl> df(natom) -4.34913 -0.84532 -2.86052
7255.0000 -75.89596 -74.33582 1.56014 1.75754 -74.10609 372.69435
7260.0000 -75.33774 -73.57728 1.76046 1.77104 -73.97291 386.59578
7265.0000 -75.41120 -74.08289 1.32831 1.78266 -73.85818 401.09526
7270.0000 -75.63948 -74.31192 1.32756 1.76108 -74.07115 381.65028
7275.0000 -75.78550 -74.60344 1.18205 1.73654 -74.31339 353.46645
7280.0000 -76.14631 -74.78641 1.35990 1.69777 -74.69598 310.02486
7285.0000 -76.07962 -74.28801 1.79161 1.70812 -74.59381 326.66224
7290.0000 -75.35843 -74.21417 1.14426 1.74891 -74.19132 371.34277
7295.0000 -75.69970 -74.25576 1.44394 1.75561 -74.12519 382.15115
7300.0000 -75.58376 -74.35783 1.22593 1.73092 -74.36885 353.48900
7305.0000 -76.05654 -74.93180 1.12473 1.71136 -74.56179 326.81855
7310.0000 -75.93113 -74.59892 1.33221 1.69148 -74.75803 304.83325
7315.0000 -75.97945 -74.64447 1.33498 1.73994 -74.27983 350.75712
7320.0000 -76.00490 -74.45290 1.55200 1.72576 -74.41977 352.57551
7325.0000 -75.69312 -73.79970 1.89342 1.77225 -73.96099 404.64564
7330.0000 -75.40570 -73.76037 1.64533 1.76845 -73.99842 379.17266
7335.0000 -74.98269 -73.67633 1.30635 1.80796 -73.60858 417.97348
7340.0000 -75.55807 -73.93926 1.61881 1.77144 -73.96890 394.46217
7345.0000 -75.51643 -74.21889 1.29754 1.77393 -73.94433 383.45277
7350.0000 -75.93838 -74.47448 1.46390 1.73597 -74.31902 359.25292
7355.0000 -76.03203 -74.93570 1.09634 1.70574 -74.61730 304.13557
7360.0000 -76.28613 -74.83326 1.45288 1.68066 -74.86483 289.23945
7365.0000 -75.70510 -74.45758 1.24752 1.69166 -74.75625 310.77803
7370.0000 -75.67711 -74.25613 1.42098 1.73864 -74.29265 356.94602
7375.0000 -75.82283 -74.60333 1.21950 1.74361 -74.24359 349.54917
7380.0000 -75.96360 -74.36605 1.59755 1.74751 -74.20513 363.86390
7385.0000 -75.62159 -74.48429 1.13730 1.71617 -74.51434 329.82512
7390.0000 -75.89926 -74.82593 1.07333 1.69746 -74.69899 307.25521
7395.0000 -75.60889 -74.31708 1.29181 1.70752 -74.59976 306.63411
7400.0000 -75.50403 -74.38535 1.11868 1.75010 -74.17952 357.44948
7405.0000 -75.60140 -74.50254 1.09885 1.74390 -74.24069 347.87597
7410.0000 -75.84830 -74.80944 1.03887 1.68900 -74.78246 291.90970
7415.0000 -75.89831 -74.34249 1.55582 1.74259 -74.25366 356.87205
7420.0000 -75.84577 -73.97959 1.86619 1.74911 -74.18926 371.86906
7425.0000 -75.61204 -74.24608 1.36595 1.75697 -74.11178 383.58602
7430.0000 -75.52677 -73.76678 1.75999 1.77843 -73.89992 411.31468
7435.0000 -75.31273 -73.56255 1.75018 1.80321 -73.65543 432.75892
7440.0000 -75.99067 -74.29417 1.69650 1.74357 -74.24393 361.66128
7445.0000 -75.77753 -74.39577 1.38176 1.74877 -74.19269 363.35932
7450.0000 -75.44454 -74.47912 0.96541 1.73612 -74.31746 351.89601
7455.0000 -75.68735 -74.40161 1.28574 1.71865 -74.48986 337.59454
7460.0000 -75.60687 -73.75531 1.85155 1.76380 -74.04435 372.85868
7465.0000 -75.43276 -74.43599 0.99677 1.75205 -74.16033 359.55478
7470.0000 -75.95546 -74.23679 1.71867 1.74201 -74.25939 345.87285
7475.0000 -75.88483 -74.73680 1.14803 1.71951 -74.48136 338.92931
7480.0000 -75.63484 -74.26518 1.36966 1.72187 -74.45812 339.09166
7485.0000 -75.42786 -74.05970 1.36816 1.78102 -73.87442 409.98370
7490.0000 -75.76824 -74.66322 1.10502 1.74910 -74.18937 373.35870
7495.0000 -75.43558 -74.24645 1.18912 1.73032 -74.37470 354.13431
7500.0000 -75.85570 -74.16658 1.68912 1.75830 -74.09861 381.72815
FREEZING PROCESS: loop number 31 T-loop= 340.00000000000000
main_MD> interactions number 31 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14453 -0.13530 -1.24679
force_rgl> df(natom) -2.30072 0.16504 -0.59045
7505.0000 -75.26642 -74.28234 0.98408 1.74683 -74.21177 366.69684
7510.0000 -75.82319 -74.44027 1.38292 1.73838 -74.29523 357.43019
7515.0000 -76.06236 -74.89898 1.16338 1.71695 -74.50662 329.88299
7520.0000 -76.11459 -74.70519 1.40940 1.70402 -74.63431 322.13685
7525.0000 -75.62560 -74.42267 1.20292 1.71025 -74.57281 312.55627
7530.0000 -75.83748 -74.48205 1.35543 1.72772 -74.40035 344.33586
7535.0000 -75.25391 -74.04358 1.21033 1.73033 -74.37465 351.51835
7540.0000 -75.92312 -74.22703 1.69609 1.75494 -74.13173 380.63161
7545.0000 -76.07527 -74.76246 1.31281 1.72771 -74.40051 352.85862
7550.0000 -75.92302 -74.93458 0.98844 1.66584 -75.01106 275.04467
7555.0000 -75.89463 -74.95592 0.93872 1.67572 -74.91350 272.48795
7560.0000 -75.77594 -74.60843 1.16751 1.70126 -74.66150 292.27309
7565.0000 -75.48745 -74.33817 1.14929 1.72374 -74.43962 330.49904
7570.0000 -75.77601 -74.56830 1.20771 1.72869 -74.39083 337.65579
7575.0000 -75.52936 -74.03149 1.49787 1.73035 -74.37446 351.67425
7580.0000 -75.99236 -74.80605 1.18631 1.71750 -74.50120 334.90310
7585.0000 -76.09558 -74.44198 1.65361 1.68654 -74.80678 300.22358
7590.0000 -75.84980 -74.25288 1.59692 1.71420 -74.53384 327.70890
7595.0000 -75.92944 -74.76237 1.16708 1.72241 -74.45278 340.18450
7600.0000 -75.97780 -74.60757 1.37023 1.69885 -74.68531 308.43942
7605.0000 -76.08423 -74.90021 1.18402 1.70349 -74.63953 309.82682
7610.0000 -75.93454 -74.87276 1.06178 1.68807 -74.79169 301.41672
7615.0000 -75.95641 -74.76019 1.19622 1.69047 -74.76799 304.76401
7620.0000 -75.67303 -74.48312 1.18991 1.72050 -74.47167 338.98043
7625.0000 -76.30262 -74.85047 1.45216 1.70274 -74.64693 314.02202
7630.0000 -75.98331 -74.75144 1.23188 1.68689 -74.80336 297.17264
7635.0000 -75.81049 -74.10608 1.70442 1.71460 -74.52984 331.55763
7640.0000 -75.63084 -73.94664 1.68419 1.75934 -74.08836 378.36275
7645.0000 -75.77026 -74.19918 1.57107 1.74204 -74.25909 348.45571
7650.0000 -75.93312 -74.52426 1.40886 1.71991 -74.47747 344.11353
7655.0000 -75.81960 -74.50668 1.31292 1.70488 -74.62583 321.89890
7660.0000 -75.97284 -74.70436 1.26848 1.68947 -74.77788 291.80778
7665.0000 -75.77807 -74.55878 1.21929 1.71348 -74.54091 312.08987
7670.0000 -75.99274 -74.60326 1.38948 1.71499 -74.52600 297.19030
7675.0000 -75.87727 -74.37629 1.50097 1.72705 -74.40701 333.53901
7680.0000 -75.88447 -74.51825 1.36622 1.73546 -74.32396 353.22181
7685.0000 -75.75918 -74.55423 1.20495 1.70605 -74.61422 309.98228
7690.0000 -75.60410 -74.35978 1.24432 1.72490 -74.42822 331.73849
7695.0000 -75.57980 -74.39764 1.18216 1.74428 -74.23702 343.37406
7700.0000 -75.53194 -74.35845 1.17349 1.72450 -74.43214 324.66998
7705.0000 -75.58812 -74.44408 1.14404 1.72552 -74.42213 323.62102
7710.0000 -75.55561 -74.06546 1.49014 1.74224 -74.25708 331.02510
7715.0000 -75.92543 -74.44704 1.47838 1.72538 -74.42349 342.62815
7720.0000 -76.02062 -74.74023 1.28040 1.70717 -74.60316 321.94640
7725.0000 -75.52475 -73.93099 1.59376 1.74776 -74.20259 369.49674
7730.0000 -75.99715 -74.40979 1.58736 1.72742 -74.40333 347.18359
7735.0000 -75.71144 -73.99127 1.72017 1.74061 -74.27323 353.78236
7740.0000 -75.55891 -73.97733 1.58158 1.74407 -74.23904 346.18792
7745.0000 -75.33734 -74.00060 1.33674 1.76637 -74.01894 366.44715
7750.0000 -75.91919 -74.55022 1.36897 1.73927 -74.28645 356.44325
FREEZING PROCESS: loop number 32 T-loop= 315.00000000000000
main_MD> interactions number 32 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.12767 0.30834 0.10248
force_rgl> df(natom) 0.11303 2.71385 0.22276
7755.0000 -75.81931 -74.41840 1.40091 1.71476 -74.52831 319.24125
7760.0000 -75.68964 -74.80500 0.88464 1.69617 -74.71178 312.06995
7765.0000 -75.96298 -74.48497 1.47801 1.70732 -74.60170 317.37188
7770.0000 -75.45888 -74.50324 0.95564 1.72092 -74.46751 340.11071
7775.0000 -75.44413 -74.04561 1.39852 1.73117 -74.36637 331.73148
7780.0000 -75.68381 -74.50597 1.17784 1.75221 -74.15869 363.37010
7785.0000 -75.94293 -74.62803 1.31491 1.71870 -74.48936 330.09517
7790.0000 -75.86836 -74.43393 1.43443 1.71785 -74.49774 327.23784
7795.0000 -75.96318 -74.82837 1.13481 1.67671 -74.90372 276.29650
7800.0000 -75.51645 -74.16281 1.35364 1.70781 -74.59687 315.24638
7805.0000 -75.59738 -74.34846 1.24892 1.75643 -74.11711 360.55444
7810.0000 -75.79435 -74.69365 1.10070 1.69926 -74.68126 308.87584
7815.0000 -76.04748 -74.95214 1.09533 1.70841 -74.59094 317.27971
7820.0000 -75.91950 -74.56100 1.35850 1.68892 -74.78331 302.38079
7825.0000 -76.16679 -74.87798 1.28882 1.70656 -74.60918 318.42280
7830.0000 -75.94100 -74.57137 1.36963 1.69504 -74.72290 303.30495
7835.0000 -75.70666 -74.42076 1.28590 1.70943 -74.58087 325.04584
7840.0000 -75.97875 -74.74680 1.23195 1.72199 -74.45697 333.76830
7845.0000 -75.97631 -74.73255 1.24376 1.69034 -74.76931 300.89561
7850.0000 -76.01108 -74.76845 1.24262 1.71008 -74.57450 323.15705
7855.0000 -76.00315 -75.05438 0.94877 1.65442 -75.12373 255.97181
7860.0000 -76.15120 -74.72714 1.42406 1.69260 -74.74692 301.61407
7865.0000 -75.65436 -74.34138 1.31298 1.69643 -74.70916 308.01000
7870.0000 -75.47865 -73.77887 1.69978 1.77066 -73.97661 382.34895
7875.0000 -75.57553 -74.48137 1.09416 1.73775 -74.30142 344.67314
7880.0000 -75.91964 -74.37099 1.54865 1.72711 -74.40639 322.85912
7885.0000 -76.13374 -74.45123 1.68251 1.72607 -74.41672 333.37186
7890.0000 -75.85970 -74.34734 1.51236 1.74204 -74.25909 362.39348
7895.0000 -76.33326 -74.99550 1.33776 1.69915 -74.68235 314.67470
7900.0000 -76.25403 -75.36877 0.88526 1.65800 -75.08841 271.33738
7905.0000 -76.07593 -75.04628 1.02965 1.65301 -75.13768 264.25774
7910.0000 -76.29812 -75.12703 1.17109 1.65553 -75.11273 260.23617
7915.0000 -75.83028 -74.55080 1.27948 1.68223 -74.84931 296.31195
7920.0000 -75.93850 -74.91315 1.02535 1.68916 -74.78092 302.33248
7925.0000 -76.05947 -74.77556 1.28392 1.68245 -74.84710 291.90276
7930.0000 -75.59724 -74.48582 1.11142 1.69757 -74.69792 298.33151
7935.0000 -76.08864 -75.17965 0.90899 1.69005 -74.77216 299.19682
7940.0000 -75.85575 -74.57571 1.28004 1.67864 -74.88470 285.29538
7945.0000 -75.85722 -74.44306 1.41416 1.72553 -74.42200 342.79847
7950.0000 -75.80629 -74.82589 0.98040 1.68994 -74.77322 297.19778
7955.0000 -76.09279 -74.60210 1.49069 1.67293 -74.94110 279.81117
7960.0000 -76.22132 -74.96260 1.25871 1.69639 -74.70957 318.35496
7965.0000 -76.24684 -75.05933 1.18750 1.66234 -75.04555 269.86921
7970.0000 -76.25591 -75.27865 0.97726 1.63471 -75.31819 235.11550
7975.0000 -75.89329 -74.56501 1.32828 1.67180 -74.95227 280.58826
7980.0000 -76.05095 -74.96554 1.08541 1.68932 -74.77932 304.34313
7985.0000 -76.08274 -74.89638 1.18636 1.66302 -75.03888 271.31024
7990.0000 -75.93730 -74.78269 1.15461 1.70781 -74.59686 323.41804
7995.0000 -76.15163 -75.03219 1.11945 1.69502 -74.72306 312.20043
8000.0000 -76.09698 -74.65714 1.43984 1.67118 -74.95838 279.97705
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 4 [min], 37.6659113 [s].
main_MD> Deallocating global variables
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