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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_20/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_20.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 20 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 20 2000
main_MD> Size of nv and nvoiz: 20 2000
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 20
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -8.4707561651332239E-002 -6.9838645691457660E-002 8.3457377505922643E-003 initial drift of cluster / NP1 for coalescence
init> 0.37453726065292298 0.38197812476859372 0.28842550939081724 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6059289320911239E-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) 0.32898 -0.32964 -2.57482
force_rgl> df(natom) 1.11589 4.00158 -0.13420
preparo> THERMALIZATION PROCESS AT 1127.7274601755842
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -42.571522961188201 2.9478577715834757 -45.519380732771680 5.0976741594688062E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 33
FREEZING PROCESS: loop number 1 T-loop= 1103.0000000000000
main_MD> interactions number 1 at Temperature= 1103.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.22253 11.55722 4.06776
force_rgl> df(natom) 0.22865 1.42109 0.22232
5.0000 -45.26958 -43.17649 2.09310 2.13132 -43.29627 832.99172
10.0000 -44.38491 -41.90758 2.47732 2.25203 -42.40693 989.72019
15.0000 -44.13123 -41.61865 2.51258 2.35453 -41.65169 1041.96755
20.0000 -44.92037 -41.14262 3.77774 2.40367 -41.28964 1159.95109
25.0000 -43.92707 -41.19854 2.72853 2.37112 -41.52943 1124.07836
30.0000 -45.06232 -41.99071 3.07161 2.43419 -41.06476 1264.35334
35.0000 -43.96440 -41.18849 2.77592 2.40056 -41.31255 1138.59388
40.0000 -45.24843 -42.84195 2.40649 2.31019 -41.97836 1008.53703
45.0000 -44.77487 -42.25023 2.52463 2.22111 -42.63470 966.72461
50.0000 -43.74186 -39.71374 4.02812 2.40308 -41.29392 1110.46222
55.0000 -43.49652 -40.55404 2.94248 2.52418 -40.40169 1308.71926
60.0000 -44.00077 -40.82381 3.17696 2.48329 -40.70297 1148.57628
65.0000 -42.50292 -39.77176 2.73116 2.49963 -40.58258 1236.35096
70.0000 -42.60066 -39.45726 3.14340 2.63210 -39.60653 1294.84512
75.0000 -43.55023 -40.51485 3.03539 2.50701 -40.52822 1232.94862
80.0000 -43.97314 -41.10263 2.87052 2.44197 -41.00739 1149.03259
85.0000 -45.03438 -42.57618 2.45820 2.36184 -41.59779 1082.05948
90.0000 -44.89804 -42.54338 2.35466 2.24214 -42.47978 957.40130
95.0000 -44.77817 -42.53109 2.24708 2.20383 -42.76205 929.71475
100.0000 -43.94147 -41.05381 2.88766 2.33583 -41.78946 1077.10502
105.0000 -43.83314 -41.13460 2.69854 2.43506 -41.05829 1106.31563
110.0000 -43.38138 -39.40867 3.97271 2.49085 -40.64726 1151.23670
115.0000 -44.69774 -41.84817 2.84957 2.46842 -40.81250 1228.17379
120.0000 -44.05715 -41.03837 3.01877 2.41713 -41.19046 1126.66402
125.0000 -44.31990 -41.28282 3.03709 2.43808 -41.03609 1072.21186
130.0000 -43.91725 -40.25973 3.65752 2.43275 -41.07537 1229.79527
135.0000 -43.60852 -40.72627 2.88225 2.44847 -40.95949 1218.25534
140.0000 -44.44372 -41.86399 2.57973 2.39140 -41.38003 1120.95819
145.0000 -44.61343 -41.65518 2.95825 2.29080 -42.12125 1021.87359
150.0000 -44.72202 -41.83261 2.88941 2.33512 -41.79467 1008.58414
155.0000 -43.92594 -40.79356 3.13238 2.43139 -41.08536 1132.35704
160.0000 -43.45332 -39.80090 3.65241 2.48846 -40.66488 1334.05325
165.0000 -44.13661 -41.30046 2.83616 2.49197 -40.63902 1275.94456
170.0000 -42.75368 -39.71629 3.03739 2.55347 -40.18589 1256.93842
175.0000 -43.53523 -40.45570 3.07953 2.51943 -40.43670 1268.61423
180.0000 -43.26446 -39.82520 3.43925 2.57528 -40.02517 1366.89524
185.0000 -43.79603 -40.96045 2.83558 2.55627 -40.16526 1274.61925
190.0000 -42.52469 -39.71882 2.80587 2.52949 -40.36259 1177.47725
195.0000 -43.67351 -40.26297 3.41055 2.52437 -40.40028 1207.74404
200.0000 -43.21658 -40.06422 3.15236 2.53562 -40.31738 1220.52317
205.0000 -43.13285 -41.04626 2.08659 2.52615 -40.38720 1203.12195
210.0000 -44.57000 -40.77733 3.79267 2.43920 -41.02782 1119.36570
215.0000 -43.98824 -41.17364 2.81460 2.48380 -40.69923 1195.81174
220.0000 -44.05693 -41.94479 2.11214 2.39315 -41.36710 1098.56548
225.0000 -44.87003 -41.58805 3.28198 2.41380 -41.21494 1120.57342
230.0000 -44.08294 -42.05837 2.02457 2.40338 -41.29177 1101.13383
235.0000 -44.33415 -41.68677 2.64739 2.30640 -42.00629 1050.66782
240.0000 -44.17929 -40.80771 3.37158 2.39789 -41.33217 1115.89995
245.0000 -43.21776 -40.76283 2.45494 2.49114 -40.64512 1218.45118
250.0000 -43.72229 -41.09786 2.62443 2.49982 -40.58118 1176.02695
FREEZING PROCESS: loop number 2 T-loop= 1078.0000000000000
main_MD> interactions number 2 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.83414 -0.41367 -0.85889
force_rgl> df(natom) -3.13289 -0.67311 -3.79885
255.0000 -44.54947 -42.08370 2.46577 2.31173 -41.96700 1104.82799
260.0000 -44.32886 -41.99838 2.33047 2.37435 -41.50561 1053.19126
265.0000 -44.14359 -40.95864 3.18495 2.45141 -40.93785 1170.05037
270.0000 -43.95162 -41.13819 2.81343 2.39147 -41.37952 1122.96902
275.0000 -45.03128 -42.57959 2.45170 2.30795 -41.99491 1053.09673
280.0000 -44.54173 -41.90240 2.63934 2.23030 -42.56704 966.18180
285.0000 -43.98791 -41.45874 2.52917 2.34365 -41.73184 1044.87851
290.0000 -43.93249 -40.92561 3.00688 2.39535 -41.35090 987.74122
295.0000 -43.97243 -41.20662 2.76581 2.50282 -40.55907 1225.17184
300.0000 -44.07172 -40.68173 3.38999 2.42918 -41.10168 1156.54398
305.0000 -43.32820 -40.23596 3.09224 2.52388 -40.40392 1175.77411
310.0000 -44.72024 -41.04885 3.67139 2.50996 -40.50646 1195.90821
315.0000 -44.12823 -41.00866 3.11957 2.49705 -40.60159 1191.58704
320.0000 -44.54147 -41.41441 3.12706 2.42471 -41.13458 1140.84664
325.0000 -44.72058 -42.16615 2.55443 2.28191 -42.18673 998.78872
330.0000 -44.34956 -42.04891 2.30065 2.32323 -41.88231 1094.46733
335.0000 -43.96770 -41.08524 2.88246 2.35220 -41.66886 1089.43867
340.0000 -44.85586 -41.93437 2.92149 2.33701 -41.78076 1054.64901
345.0000 -45.16810 -42.46518 2.70293 2.27233 -42.25731 984.26871
350.0000 -44.16075 -41.06876 3.09199 2.28530 -42.16178 1028.53211
355.0000 -44.77097 -41.04810 3.72288 2.35107 -41.67719 1067.06667
360.0000 -44.52205 -42.35605 2.16600 2.33011 -41.83158 1044.61453
365.0000 -44.55741 -42.75270 1.80470 2.25966 -42.35066 998.31031
370.0000 -45.07842 -42.35089 2.72753 2.21424 -42.68534 948.28582
375.0000 -45.12408 -41.78785 3.33623 2.20818 -42.72998 934.50296
380.0000 -45.10290 -42.16617 2.93673 2.36244 -41.59336 1081.62698
385.0000 -44.05788 -41.31996 2.73792 2.30681 -42.00329 1100.84644
390.0000 -44.60437 -41.55026 3.05411 2.36672 -41.56185 1040.18575
395.0000 -44.24275 -41.01477 3.22797 2.36494 -41.57495 1052.42092
400.0000 -43.86719 -41.54288 2.32431 2.40633 -41.26999 1136.83654
405.0000 -44.11483 -41.11203 3.00280 2.33590 -41.78894 1138.28504
410.0000 -44.07663 -40.51544 3.56119 2.49141 -40.64311 1171.57006
415.0000 -44.02286 -40.10711 3.91575 2.53369 -40.33162 1224.89487
420.0000 -43.38672 -40.56011 2.82661 2.53254 -40.34012 1204.66346
425.0000 -43.26419 -40.13082 3.13337 2.57889 -39.99855 1228.51929
430.0000 -44.42791 -42.08722 2.34069 2.43970 -41.02413 1132.17294
435.0000 -44.32580 -41.88469 2.44111 2.30269 -42.03366 945.25089
440.0000 -44.75456 -41.67314 3.08141 2.31687 -41.92916 1078.82817
445.0000 -45.77087 -42.87930 2.89157 2.25037 -42.41910 959.21258
450.0000 -45.40325 -42.67992 2.72333 2.21657 -42.66815 974.10091
455.0000 -44.53001 -42.40928 2.12072 2.21478 -42.68140 936.08213
460.0000 -43.48971 -41.14692 2.34279 2.34630 -41.71229 1016.60784
465.0000 -43.75152 -41.01068 2.74085 2.38576 -41.42156 1164.35707
470.0000 -44.17275 -41.04828 3.12447 2.45854 -40.88530 1144.02615
475.0000 -45.51233 -42.17979 3.33253 2.35873 -41.62073 1102.90483
480.0000 -44.06490 -40.73694 3.32796 2.30865 -41.98972 1030.08043
485.0000 -43.98896 -40.87277 3.11619 2.51363 -40.47945 1238.45712
490.0000 -45.91093 -41.91185 3.99908 2.36738 -41.55703 1128.74279
495.0000 -44.94318 -42.86297 2.08021 2.26475 -42.31321 1013.12080
500.0000 -43.72913 -41.03079 2.69834 2.36008 -41.61077 998.86950
FREEZING PROCESS: loop number 3 T-loop= 1053.0000000000000
main_MD> interactions number 3 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.67627 -1.16324 -2.16362
force_rgl> df(natom) 2.79145 1.10899 -2.78751
505.0000 -44.23180 -42.02729 2.20451 2.31588 -41.93644 986.18056
510.0000 -43.91889 -41.40250 2.51639 2.36200 -41.59662 1101.42462
515.0000 -45.33744 -43.31407 2.02337 2.26925 -42.28006 1033.72562
520.0000 -43.62619 -41.07605 2.55014 2.26822 -42.28761 975.96188
525.0000 -45.38461 -43.25157 2.13304 2.32191 -41.89203 1016.68902
530.0000 -44.99042 -42.08668 2.90374 2.21285 -42.69561 968.04759
535.0000 -45.70286 -42.79534 2.90752 2.24631 -42.44907 939.96979
540.0000 -44.68754 -42.24328 2.44426 2.22867 -42.57905 914.51742
545.0000 -44.01421 -41.84791 2.16630 2.32696 -41.85484 980.70051
550.0000 -45.03905 -42.16122 2.87783 2.34644 -41.71127 1125.06247
555.0000 -45.13484 -42.89811 2.23673 2.31116 -41.97124 1024.79753
560.0000 -43.64635 -40.49636 3.14999 2.33896 -41.76643 965.99937
565.0000 -44.26896 -39.97943 4.28953 2.56464 -40.10361 1292.12721
570.0000 -44.12097 -40.82287 3.29810 2.48659 -40.67864 1211.73217
575.0000 -43.82520 -40.27593 3.54927 2.50561 -40.53854 1167.63679
580.0000 -44.09747 -40.24473 3.85274 2.50968 -40.50853 1280.59294
585.0000 -43.16013 -40.61083 2.54930 2.49116 -40.64499 1206.62422
590.0000 -44.76545 -42.78523 1.98022 2.35740 -41.63052 997.82201
595.0000 -45.25087 -42.37648 2.87438 2.22885 -42.57768 932.43816
600.0000 -45.03503 -42.27086 2.76417 2.24511 -42.45788 1025.12802
605.0000 -43.05201 -40.32008 2.73193 2.42322 -41.14557 1221.23137
610.0000 -44.12403 -40.42127 3.70276 2.54478 -40.24989 1248.51264
615.0000 -43.39604 -40.24213 3.15391 2.47483 -40.76531 1223.84411
620.0000 -44.29044 -41.83294 2.45751 2.36532 -41.57216 1046.98967
625.0000 -44.12477 -42.27106 1.85371 2.30051 -42.04966 944.45461
630.0000 -44.01766 -41.77496 2.24269 2.30301 -42.03126 1042.76672
635.0000 -45.01107 -41.77614 3.23493 2.32840 -41.84422 1006.74013
640.0000 -43.20550 -40.69187 2.51363 2.43562 -41.05417 1147.18313
645.0000 -44.31060 -42.14275 2.16785 2.42072 -41.16395 1194.56648
650.0000 -45.00529 -41.80468 3.20060 2.24150 -42.48448 941.05713
655.0000 -44.79683 -41.94057 2.85626 2.29790 -42.06892 1038.21711
660.0000 -43.80584 -40.74231 3.06353 2.30646 -42.00585 1055.43064
665.0000 -44.18036 -41.61773 2.56263 2.45647 -40.90054 1184.29378
670.0000 -44.71637 -42.71738 1.99898 2.29914 -42.05982 973.28405
675.0000 -44.10957 -41.44113 2.66843 2.36741 -41.55678 1068.27415
680.0000 -44.71963 -42.28523 2.43440 2.35988 -41.61223 1088.92770
685.0000 -43.75956 -40.72336 3.03621 2.32966 -41.83490 1039.72433
690.0000 -44.04815 -40.42705 3.62111 2.47259 -40.78180 1291.04871
695.0000 -43.89295 -41.16615 2.72680 2.54422 -40.25406 1360.91317
700.0000 -44.73753 -41.81126 2.92628 2.37013 -41.53676 1022.65846
705.0000 -45.03838 -42.74102 2.29736 2.31295 -41.95802 1069.91271
710.0000 -44.73216 -42.21166 2.52050 2.21439 -42.68425 893.04249
715.0000 -44.79780 -42.45543 2.34237 2.27545 -42.23438 948.96087
720.0000 -45.06196 -42.19626 2.86570 2.28003 -42.20056 959.31256
725.0000 -44.83122 -41.46203 3.36919 2.30386 -42.02501 1032.87200
730.0000 -44.66258 -41.63555 3.02703 2.33292 -41.81092 973.38164
735.0000 -45.13326 -41.59244 3.54082 2.43860 -41.03228 1189.36235
740.0000 -45.74801 -42.60382 3.14419 2.25533 -42.38256 974.93314
745.0000 -44.56327 -41.70962 2.85366 2.36926 -41.54315 1081.05684
750.0000 -44.50680 -41.61241 2.89440 2.32642 -41.85878 1039.50052
FREEZING PROCESS: loop number 4 T-loop= 1028.0000000000000
main_MD> interactions number 4 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.97759 0.90780 -0.28086
force_rgl> df(natom) 2.85781 3.36496 -0.57980
755.0000 -45.07055 -41.98744 3.08311 2.32725 -41.85265 1034.41715
760.0000 -44.84754 -41.36040 3.48714 2.35036 -41.68236 1069.45987
765.0000 -43.96900 -41.30568 2.66331 2.43627 -41.04937 1173.81902
770.0000 -45.42936 -41.43038 3.99898 2.36249 -41.59306 1066.08826
775.0000 -44.86538 -42.17351 2.69188 2.30494 -42.01707 1026.92893
780.0000 -44.78663 -42.46239 2.32424 2.23373 -42.54176 935.62554
785.0000 -45.28956 -42.04489 3.24468 2.26008 -42.34761 972.05281
790.0000 -45.76291 -42.76746 2.99545 2.29977 -42.05517 1041.92196
795.0000 -45.66373 -43.62175 2.04197 2.19620 -42.81825 928.42995
800.0000 -43.94983 -41.51607 2.43376 2.21708 -42.66439 915.43876
805.0000 -44.59924 -41.64179 2.95745 2.30061 -42.04900 1054.89075
810.0000 -44.47494 -41.25413 3.22081 2.38682 -41.41375 1174.70066
815.0000 -45.01576 -41.86979 3.14596 2.35585 -41.64197 1094.98286
820.0000 -44.21284 -41.66954 2.54330 2.34402 -41.72909 1086.52639
825.0000 -44.83392 -42.09254 2.74138 2.32373 -41.87864 1050.96764
830.0000 -45.05572 -42.95597 2.09975 2.24083 -42.48942 930.00308
835.0000 -44.76390 -42.56935 2.19455 2.17380 -42.98331 875.26610
840.0000 -44.66933 -42.44875 2.22058 2.19492 -42.82767 928.61574
845.0000 -44.88500 -42.53709 2.34791 2.22838 -42.58113 975.69455
850.0000 -45.14312 -41.36055 3.78257 2.31396 -41.95061 1081.21636
855.0000 -44.55494 -41.61810 2.93684 2.30269 -42.03365 1011.18626
860.0000 -43.66988 -40.99044 2.67944 2.45713 -40.89573 1049.72866
865.0000 -43.97830 -41.06926 2.90903 2.47407 -40.77088 1143.11823
870.0000 -43.85751 -41.03846 2.81905 2.43436 -41.06348 1030.76675
875.0000 -44.99458 -42.87111 2.12348 2.25162 -42.40994 905.08939
880.0000 -44.17471 -41.69516 2.47955 2.24453 -42.46218 930.36667
885.0000 -45.03473 -42.84452 2.19021 2.31221 -41.96346 1005.62716
890.0000 -44.71301 -41.66930 3.04370 2.22224 -42.62639 917.39639
895.0000 -44.81628 -42.80350 2.01278 2.20263 -42.77087 947.69840
900.0000 -45.46840 -42.72703 2.74137 2.22093 -42.63606 947.64484
905.0000 -44.30315 -42.23481 2.06834 2.25429 -42.39022 980.16400
910.0000 -44.91787 -43.16279 1.75508 2.30141 -42.04306 991.10489
915.0000 -44.78914 -42.02182 2.76732 2.23943 -42.49972 949.93320
920.0000 -45.41198 -42.33571 3.07626 2.31190 -41.96581 984.36541
925.0000 -44.20680 -41.10393 3.10287 2.36355 -41.58524 1096.24656
930.0000 -43.99941 -41.24713 2.75228 2.47243 -40.78296 1182.32430
935.0000 -43.35671 -40.80382 2.55289 2.39865 -41.32663 1099.82318
940.0000 -44.14819 -41.20271 2.94548 2.56893 -40.07193 1301.72611
945.0000 -44.16170 -41.28363 2.87806 2.49420 -40.62257 1215.31149
950.0000 -44.58474 -41.73833 2.84642 2.37478 -41.50244 1134.64836
955.0000 -44.07353 -40.82276 3.25077 2.47551 -40.76030 1215.12702
960.0000 -44.33449 -42.52043 1.81406 2.32372 -41.87870 1046.33542
965.0000 -45.22597 -42.99434 2.23163 2.18914 -42.87030 883.76426
970.0000 -44.45088 -42.26051 2.19037 2.32685 -41.85563 1055.41626
975.0000 -44.49621 -42.42167 2.07454 2.23844 -42.50706 961.43137
980.0000 -45.49984 -43.14794 2.35190 2.17521 -42.97294 850.62868
985.0000 -45.46456 -42.26877 3.19579 2.25224 -42.40537 943.91278
990.0000 -44.93393 -42.14406 2.78987 2.25219 -42.40574 1062.41856
995.0000 -44.71131 -42.87965 1.83167 2.28244 -42.18283 985.53054
1000.0000 -45.21266 -42.94907 2.26360 2.15132 -43.14897 868.73033
FREEZING PROCESS: loop number 5 T-loop= 1003.0000000000000
main_MD> interactions number 5 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26641 2.09811 -0.64081
force_rgl> df(natom) -1.66728 -0.86771 1.54012
1005.0000 -45.60661 -42.81270 2.79391 2.16304 -43.06258 901.25062
1010.0000 -45.62071 -42.63685 2.98386 2.18208 -42.92229 892.60855
1015.0000 -44.11775 -41.90397 2.21377 2.25071 -42.41662 936.53415
1020.0000 -42.96725 -40.84410 2.12314 2.35266 -41.66545 1040.58908
1025.0000 -44.07781 -41.66889 2.40892 2.46553 -40.83380 1216.78583
1030.0000 -44.88818 -42.95106 1.93712 2.23920 -42.50140 927.59976
1035.0000 -45.72192 -43.06319 2.65872 2.17860 -42.94795 917.13168
1040.0000 -43.87873 -41.24148 2.63726 2.25027 -42.41986 945.80670
1045.0000 -44.61576 -41.15937 3.45639 2.46494 -40.83816 1186.03829
1050.0000 -44.60692 -42.10405 2.50288 2.32701 -41.85448 1045.44342
1055.0000 -44.88826 -42.98679 1.90147 2.23467 -42.53482 942.75237
1060.0000 -44.41595 -42.77702 1.63893 2.23336 -42.54446 873.49796
1065.0000 -43.58804 -40.93640 2.65165 2.28839 -42.13902 954.96058
1070.0000 -43.77761 -41.28533 2.49228 2.43885 -41.03040 1047.38930
1075.0000 -43.61915 -41.11125 2.50790 2.40722 -41.26344 1080.62810
1080.0000 -43.81887 -40.15346 3.66540 2.53576 -40.31635 1194.11248
1085.0000 -44.32301 -40.55170 3.77131 2.57989 -39.99122 1334.45464
1090.0000 -44.19757 -42.45433 1.74324 2.41644 -41.19554 1106.99340
1095.0000 -43.78146 -41.55549 2.22597 2.33186 -41.81870 1095.53783
1100.0000 -44.77171 -42.56593 2.20578 2.31956 -41.90934 1068.23056
1105.0000 -44.89324 -42.09353 2.79971 2.38758 -41.40819 1109.10033
1110.0000 -44.93471 -43.01996 1.91475 2.15723 -43.10542 895.57782
1115.0000 -44.22139 -40.92866 3.29273 2.23409 -42.53911 943.24913
1120.0000 -43.20079 -41.05020 2.15059 2.41036 -41.24032 1106.41710
1125.0000 -44.05444 -41.55088 2.50356 2.41125 -41.23377 1090.02220
1130.0000 -44.11208 -41.14683 2.96524 2.43531 -41.05645 1153.17133
1135.0000 -43.89735 -41.00790 2.88945 2.42729 -41.11554 1101.57886
1140.0000 -45.41795 -42.64349 2.77447 2.35737 -41.63075 1081.91380
1145.0000 -44.76478 -41.97746 2.78731 2.26691 -42.29728 991.01759
1150.0000 -44.31597 -41.13362 3.18235 2.39701 -41.33869 1078.27532
1155.0000 -45.25407 -42.10788 3.14618 2.31075 -41.97422 1073.33827
1160.0000 -44.89150 -42.68494 2.20655 2.27500 -42.23768 1003.66383
1165.0000 -45.05195 -42.71455 2.33740 2.26696 -42.29692 1010.90704
1170.0000 -45.13553 -42.79359 2.34195 2.21203 -42.70163 909.93168
1175.0000 -45.06991 -42.47101 2.59891 2.20380 -42.76225 909.76877
1180.0000 -45.75323 -42.53489 3.21834 2.22331 -42.61853 926.20356
1185.0000 -45.29829 -41.75699 3.54129 2.30538 -42.01378 1063.93392
1190.0000 -45.13341 -42.65310 2.48031 2.26652 -42.30016 981.44241
1195.0000 -44.67555 -42.61753 2.05802 2.22448 -42.60987 969.65676
1200.0000 -44.83958 -43.01008 1.82950 2.14401 -43.20282 873.63394
1205.0000 -43.95989 -41.17524 2.78465 2.33599 -41.78825 1044.25791
1210.0000 -44.97501 -42.44464 2.53036 2.35531 -41.64591 1028.81206
1215.0000 -45.03928 -42.28041 2.75888 2.23837 -42.50756 929.54548
1220.0000 -45.73633 -42.91433 2.82200 2.20654 -42.74207 931.48531
1225.0000 -45.56146 -42.69568 2.86578 2.17069 -43.00619 916.93367
1230.0000 -44.73086 -42.01595 2.71492 2.20093 -42.78342 888.40008
1235.0000 -44.49195 -42.48686 2.00509 2.27996 -42.20114 973.89100
1240.0000 -44.69520 -41.63960 3.05560 2.30522 -42.01498 1040.20186
1245.0000 -45.08513 -42.56231 2.52282 2.32299 -41.88409 1056.29676
1250.0000 -45.02352 -42.82733 2.19619 2.27804 -42.21524 917.77925
FREEZING PROCESS: loop number 6 T-loop= 978.00000000000000
main_MD> interactions number 6 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39282 1.31206 -0.55359
force_rgl> df(natom) -3.87463 -4.10490 -3.05104
1255.0000 -45.49026 -42.80382 2.68644 2.18224 -42.92110 828.19442
1260.0000 -44.32283 -42.25771 2.06512 2.23483 -42.53360 935.12284
1265.0000 -45.79550 -43.57060 2.22490 2.18922 -42.86967 906.42541
1270.0000 -44.19155 -41.82175 2.36980 2.21165 -42.70440 946.84478
1275.0000 -44.63735 -42.31225 2.32510 2.27696 -42.22325 1036.30576
1280.0000 -45.58089 -42.74512 2.83578 2.20449 -42.75721 940.27309
1285.0000 -44.78779 -42.72826 2.05953 2.20546 -42.75003 916.83753
1290.0000 -45.00018 -43.07881 1.92137 2.23402 -42.53958 907.65273
1295.0000 -43.78284 -41.89222 1.89062 2.21337 -42.69175 854.18030
1300.0000 -44.05764 -41.24503 2.81261 2.30115 -42.04499 1013.89518
1305.0000 -44.37617 -41.13234 3.24382 2.48626 -40.68107 1175.01588
1310.0000 -44.20980 -41.20079 3.00901 2.43971 -41.02408 1087.74864
1315.0000 -44.32620 -40.72821 3.59800 2.38905 -41.39735 1038.82761
1320.0000 -43.28627 -40.61830 2.66797 2.47252 -40.78228 1144.82666
1325.0000 -45.35574 -42.29415 3.06160 2.35820 -41.62460 1067.43189
1330.0000 -45.69781 -43.72103 1.97678 2.13050 -43.30235 832.24005
1335.0000 -44.93720 -42.77345 2.16375 2.15114 -43.15026 858.94016
1340.0000 -44.75385 -42.03055 2.72330 2.35179 -41.67183 1035.60313
1345.0000 -44.59992 -41.96036 2.63956 2.31748 -41.92469 982.05128
1350.0000 -45.51029 -42.44300 3.06729 2.27033 -42.27209 951.00604
1355.0000 -44.45685 -42.80756 1.64929 2.27570 -42.23251 941.87909
1360.0000 -45.46836 -42.94044 2.52792 2.19775 -42.80687 876.16619
1365.0000 -45.46767 -42.72538 2.74229 2.18996 -42.86425 886.71779
1370.0000 -45.84338 -42.92951 2.91387 2.24147 -42.48468 964.53762
1375.0000 -44.17778 -41.68693 2.49085 2.27372 -42.24706 1022.59691
1380.0000 -44.98398 -42.78321 2.20077 2.23391 -42.54044 955.15203
1385.0000 -44.80011 -42.39517 2.40494 2.19650 -42.81602 937.29902
1390.0000 -45.63933 -43.34822 2.29111 2.13129 -43.29655 784.66447
1395.0000 -45.32148 -43.63880 1.68268 2.10088 -43.52060 814.65981
1400.0000 -45.27941 -43.19775 2.08166 2.12681 -43.32952 820.71993
1405.0000 -44.63957 -42.30463 2.33494 2.16797 -43.02625 926.82797
1410.0000 -45.00139 -42.98504 2.01634 2.22984 -42.57039 939.67490
1415.0000 -45.57489 -43.64161 1.93328 2.13781 -43.24850 856.93320
1420.0000 -44.92281 -42.99962 1.92319 2.08363 -43.64765 778.18924
1425.0000 -44.48366 -41.84802 2.63564 2.21356 -42.69036 922.43599
1430.0000 -44.48229 -42.14915 2.33315 2.26861 -42.28472 896.02888
1435.0000 -44.90902 -41.62623 3.28278 2.33761 -41.77635 1054.51944
1440.0000 -45.26130 -42.68194 2.57936 2.26608 -42.30338 966.06203
1445.0000 -45.70791 -43.63515 2.07275 2.17108 -43.00336 865.97087
1450.0000 -44.58138 -42.82716 1.75422 2.18151 -42.92652 834.59855
1455.0000 -45.06398 -42.33224 2.73174 2.21081 -42.71059 912.02949
1460.0000 -43.97478 -41.73145 2.24333 2.32094 -41.89918 998.89972
1465.0000 -44.62946 -41.06831 3.56116 2.44714 -40.96935 1092.85027
1470.0000 -45.17245 -43.61227 1.56018 2.23873 -42.50490 991.48198
1475.0000 -45.13546 -43.01584 2.11962 2.13159 -43.29432 813.90706
1480.0000 -44.67184 -42.28348 2.38836 2.17694 -42.96018 895.25894
1485.0000 -44.35383 -42.01932 2.33450 2.31407 -41.94981 1066.72995
1490.0000 -45.76864 -43.22754 2.54110 2.21121 -42.70769 933.20086
1495.0000 -44.48813 -41.72191 2.76623 2.24896 -42.42954 925.57493
1500.0000 -45.15776 -41.82791 3.32985 2.35665 -41.63602 1127.99849
FREEZING PROCESS: loop number 7 T-loop= 953.00000000000000
main_MD> interactions number 7 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63969 4.76179 1.00828
force_rgl> df(natom) 0.71810 -0.65128 -0.55756
1505.0000 -45.00246 -42.12084 2.88162 2.26902 -42.28169 996.79396
1510.0000 -44.59603 -42.10956 2.48647 2.24519 -42.45727 931.37928
1515.0000 -45.18165 -43.03623 2.14541 2.24080 -42.48968 893.96736
1520.0000 -45.03437 -43.63557 1.39880 2.19370 -42.83667 768.80061
1525.0000 -46.30612 -43.24757 3.05855 2.12267 -43.36004 802.64311
1530.0000 -44.82789 -42.46523 2.36266 2.11205 -43.43830 810.27225
1535.0000 -45.13404 -42.01061 3.12343 2.31299 -41.95778 1043.09654
1540.0000 -44.91455 -43.06957 1.84498 2.21035 -42.71402 931.53333
1545.0000 -45.47978 -43.25182 2.22796 2.18154 -42.92625 875.12376
1550.0000 -44.52449 -42.51518 2.00931 2.11671 -43.40398 803.23018
1555.0000 -44.91892 -42.63569 2.28323 2.20264 -42.77084 972.01443
1560.0000 -45.70137 -43.53242 2.16896 2.14423 -43.20116 805.58768
1565.0000 -45.25481 -43.07752 2.17729 2.10975 -43.45523 758.18362
1570.0000 -44.85869 -42.67056 2.18814 2.21161 -42.70475 917.83735
1575.0000 -45.32541 -42.65555 2.66986 2.19880 -42.79912 874.41327
1580.0000 -44.19341 -42.17683 2.01657 2.21221 -42.70033 947.78363
1585.0000 -45.07428 -42.99453 2.07975 2.21238 -42.69905 907.43383
1590.0000 -45.50863 -43.13652 2.37210 2.19908 -42.79705 949.76268
1595.0000 -45.48477 -43.59152 1.89325 2.13415 -43.27546 782.39760
1600.0000 -45.61135 -42.97579 2.63556 2.16829 -43.02388 858.26069
1605.0000 -45.37762 -42.72383 2.65380 2.17789 -42.95315 903.67789
1610.0000 -45.32478 -42.90070 2.42408 2.19551 -42.82337 903.37877
1615.0000 -45.76327 -43.67739 2.08588 2.11209 -43.43799 790.72239
1620.0000 -44.01786 -42.11190 1.90596 2.20571 -42.74816 907.83356
1625.0000 -44.01647 -41.47570 2.54076 2.33604 -41.78791 1024.97755
1630.0000 -43.94868 -40.83659 3.11210 2.45469 -40.91371 1239.84387
1635.0000 -44.72107 -42.16818 2.55290 2.30205 -42.03837 980.18119
1640.0000 -45.74658 -43.46704 2.27954 2.20496 -42.75369 897.95658
1645.0000 -44.74615 -42.57740 2.16876 2.17599 -42.96719 896.66289
1650.0000 -45.44815 -43.19743 2.25072 2.19933 -42.79523 916.11004
1655.0000 -45.18683 -42.90619 2.28065 2.17389 -42.98262 882.36953
1660.0000 -45.36228 -43.21605 2.14623 2.18179 -42.92447 913.76861
1665.0000 -44.56919 -42.67592 1.89327 2.21726 -42.66310 884.84793
1670.0000 -45.54430 -43.13062 2.41368 2.22260 -42.62376 902.50494
1675.0000 -45.16261 -42.67324 2.48937 2.21400 -42.68708 996.86499
1680.0000 -45.69318 -43.16945 2.52372 2.17547 -42.97103 854.26090
1685.0000 -44.53863 -41.99344 2.54519 2.21673 -42.66698 951.39450
1690.0000 -44.40728 -42.24551 2.16177 2.28644 -42.15338 991.33071
1695.0000 -44.65775 -42.07190 2.58585 2.24589 -42.45212 909.02901
1700.0000 -44.49097 -41.91856 2.57241 2.34003 -41.75849 1060.33229
1705.0000 -44.55736 -42.01631 2.54105 2.30525 -42.01476 1059.25756
1710.0000 -45.57222 -43.16351 2.40871 2.20362 -42.76358 930.31266
1715.0000 -45.01326 -42.59585 2.41741 2.10627 -43.48084 831.12025
1720.0000 -44.98971 -42.98267 2.00704 2.20842 -42.72820 940.19792
1725.0000 -44.94795 -43.20957 1.73838 2.16348 -43.05936 864.86654
1730.0000 -45.96715 -43.75060 2.21655 2.05172 -43.88280 748.92669
1735.0000 -44.44896 -42.20614 2.24281 2.20193 -42.77603 892.46809
1740.0000 -43.66051 -41.94423 1.71628 2.31502 -41.94276 1027.86951
1745.0000 -44.55128 -41.63703 2.91425 2.34842 -41.69671 1049.28495
1750.0000 -44.34895 -41.13477 3.21418 2.41936 -41.17402 1135.20829
FREEZING PROCESS: loop number 8 T-loop= 928.00000000000000
main_MD> interactions number 8 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.44602 -4.28420 -1.34498
force_rgl> df(natom) 2.96691 -3.59937 -1.02383
1755.0000 -44.23503 -41.43883 2.79620 2.32495 -41.86963 1035.70762
1760.0000 -45.49425 -42.73999 2.75426 2.31531 -41.94062 1035.05379
1765.0000 -45.85115 -43.33475 2.51640 2.15203 -43.14371 847.90691
1770.0000 -45.38252 -43.35615 2.02638 2.11303 -43.43104 861.77394
1775.0000 -44.84259 -42.02280 2.81979 2.20757 -42.73452 945.76901
1780.0000 -45.34599 -43.00464 2.34135 2.22872 -42.57863 926.96944
1785.0000 -45.52288 -42.56608 2.95680 2.22580 -42.60015 985.76371
1790.0000 -45.19174 -42.94026 2.25148 2.21619 -42.67096 971.30465
1795.0000 -45.64078 -42.67886 2.96192 2.16887 -43.01960 905.55641
1800.0000 -45.25438 -42.88276 2.37163 2.19558 -42.82280 945.15923
1805.0000 -45.02286 -42.83142 2.19143 2.16111 -43.07683 842.12638
1810.0000 -44.96634 -42.68618 2.28016 2.20425 -42.75897 910.32788
1815.0000 -45.12635 -42.79190 2.33445 2.23684 -42.51885 949.86774
1820.0000 -44.46981 -41.90291 2.56690 2.26277 -42.32779 956.36833
1825.0000 -44.33163 -41.40368 2.92795 2.35758 -41.62923 988.90252
1830.0000 -45.36454 -42.57173 2.79281 2.33141 -41.82202 1051.23436
1835.0000 -44.91402 -42.66028 2.25374 2.20190 -42.77624 933.42217
1840.0000 -45.43753 -43.63135 1.80618 2.11786 -43.39549 807.83970
1845.0000 -45.76680 -43.39785 2.36895 2.16019 -43.08360 839.20494
1850.0000 -44.76951 -42.04666 2.72284 2.21714 -42.66396 932.78417
1855.0000 -45.88020 -43.18562 2.69458 2.30024 -42.05165 1011.54674
1860.0000 -45.15963 -43.09405 2.06558 2.15199 -43.14401 889.60073
1865.0000 -45.03040 -42.43452 2.59589 2.24824 -42.43483 954.85303
1870.0000 -46.01044 -44.06171 1.94874 2.11649 -43.40559 802.89055
1875.0000 -45.62988 -42.89601 2.73387 2.09669 -43.55145 850.85425
1880.0000 -44.64247 -42.26058 2.38189 2.20315 -42.76703 910.96223
1885.0000 -44.09256 -41.34311 2.74945 2.32665 -41.85707 1025.70442
1890.0000 -45.54405 -43.73084 1.81321 2.28084 -42.19462 954.77293
1895.0000 -45.08937 -43.45864 1.63072 2.11747 -43.39831 816.62600
1900.0000 -43.97044 -42.50742 1.46302 2.12515 -43.34173 762.13773
1905.0000 -44.69765 -42.73021 1.96744 2.26165 -42.33604 838.32619
1910.0000 -44.23748 -42.26378 1.97371 2.24908 -42.42861 961.08495
1915.0000 -44.62394 -42.36364 2.26030 2.34555 -41.71785 1022.47933
1920.0000 -45.61257 -42.81259 2.79998 2.15280 -43.13804 819.78662
1925.0000 -45.12629 -42.58556 2.54073 2.22622 -42.59705 909.23119
1930.0000 -44.88652 -42.85503 2.03148 2.15907 -43.09182 812.67547
1935.0000 -45.33023 -43.37585 1.95438 2.21719 -42.66359 898.25895
1940.0000 -44.92812 -42.43397 2.49415 2.20581 -42.74749 893.36179
1945.0000 -44.57584 -41.39980 3.17604 2.33767 -41.77587 992.68119
1950.0000 -43.95795 -41.45007 2.50788 2.33290 -41.81108 1067.94303
1955.0000 -45.41714 -42.98251 2.43463 2.29212 -42.11153 1008.70048
1960.0000 -44.87333 -42.27710 2.59623 2.27262 -42.25521 1021.81013
1965.0000 -45.55724 -43.02142 2.53582 2.19604 -42.81941 933.74677
1970.0000 -44.55491 -41.61366 2.94125 2.30778 -41.99614 1053.93772
1975.0000 -45.03588 -41.90560 3.13028 2.26114 -42.33976 1017.47941
1980.0000 -45.52736 -42.45162 3.07574 2.28472 -42.16605 974.97727
1985.0000 -45.73436 -43.02373 2.71063 2.31403 -41.95006 1074.23782
1990.0000 -44.72065 -41.84245 2.87820 2.23833 -42.50784 944.09003
1995.0000 -45.71970 -42.93155 2.78815 2.34813 -41.69881 1121.47849
2000.0000 -44.91227 -42.75407 2.15821 2.19176 -42.85096 873.15064
FREEZING PROCESS: loop number 9 T-loop= 903.00000000000000
main_MD> interactions number 9 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33928 0.17619 -0.14681
force_rgl> df(natom) 0.46243 -0.20324 -1.73671
2005.0000 -45.77475 -43.93416 1.84060 2.12816 -43.31957 810.38123
2010.0000 -45.10438 -43.28097 1.82341 2.06918 -43.75415 740.11847
2015.0000 -45.26106 -43.52949 1.73157 2.13069 -43.30096 838.01299
2020.0000 -44.85111 -42.91612 1.93500 2.09123 -43.59170 828.03826
2025.0000 -44.66427 -41.74428 2.91999 2.27073 -42.26915 1023.77506
2030.0000 -44.59712 -42.37959 2.21753 2.34708 -41.70656 1020.74303
2035.0000 -44.30903 -41.67459 2.63444 2.30671 -42.00404 927.18045
2040.0000 -44.61928 -42.50860 2.11067 2.31153 -41.96852 966.15889
2045.0000 -45.95681 -43.86072 2.09610 2.10625 -43.48102 819.15694
2050.0000 -45.14706 -42.66027 2.48680 2.17400 -42.98186 904.82344
2055.0000 -44.97543 -42.62253 2.35291 2.25978 -42.34983 990.31970
2060.0000 -44.58059 -42.14274 2.43785 2.22597 -42.59895 917.15104
2065.0000 -45.00140 -43.22803 1.77337 2.21094 -42.70968 932.20047
2070.0000 -44.70061 -42.07320 2.62742 2.20923 -42.72226 919.07865
2075.0000 -44.78747 -41.61310 3.17437 2.24970 -42.42410 985.29403
2080.0000 -43.96641 -41.94244 2.02396 2.38857 -41.40086 1074.39324
2085.0000 -44.35195 -41.64659 2.70536 2.31182 -41.96640 978.30524
2090.0000 -45.48921 -42.81917 2.67004 2.20932 -42.72162 882.12253
2095.0000 -45.13926 -42.44337 2.69588 2.17711 -42.95892 882.74891
2100.0000 -44.84368 -43.32354 1.52014 2.24876 -42.43099 962.09480
2105.0000 -45.93943 -43.32371 2.61572 2.13277 -43.28563 824.26693
2110.0000 -44.97268 -42.99615 1.97653 2.12264 -43.36022 876.69183
2115.0000 -45.34473 -42.97581 2.36892 2.16802 -43.02589 846.78575
2120.0000 -45.21749 -43.42378 1.79371 2.15684 -43.10828 865.75983
2125.0000 -45.92489 -43.56143 2.36346 2.14840 -43.17045 880.97297
2130.0000 -45.51725 -43.45868 2.05857 2.15039 -43.15576 844.43910
2135.0000 -45.45763 -43.87192 1.58572 2.00446 -44.23101 687.76087
2140.0000 -45.25803 -43.20579 2.05224 2.08608 -43.62960 777.83327
2145.0000 -45.71959 -44.03538 1.68421 2.05381 -43.86739 771.92896
2150.0000 -45.02791 -42.79701 2.23090 2.11705 -43.40143 804.02762
2155.0000 -45.94155 -43.29523 2.64631 2.17452 -42.97803 880.35884
2160.0000 -45.99435 -43.94498 2.04937 2.04148 -43.95825 737.92189
2165.0000 -45.59288 -44.01210 1.58078 2.00156 -44.25237 715.20923
2170.0000 -45.43646 -42.12762 3.30884 2.17862 -42.94781 917.46942
2175.0000 -45.02295 -42.83487 2.18808 2.20296 -42.76848 932.88187
2180.0000 -45.00768 -42.66349 2.34419 2.21106 -42.70876 925.76133
2185.0000 -45.20143 -43.01422 2.18721 2.22268 -42.62319 944.91435
2190.0000 -45.01565 -42.49863 2.51703 2.20311 -42.76738 884.38238
2195.0000 -45.53241 -43.26457 2.26784 2.20378 -42.76238 918.71327
2200.0000 -46.07651 -43.85723 2.21927 2.04628 -43.92289 779.16913
2205.0000 -45.99434 -43.99512 1.99922 2.06971 -43.75025 855.94976
2210.0000 -45.01114 -43.14254 1.86861 2.12547 -43.33937 862.14795
2215.0000 -46.10147 -43.50038 2.60109 2.11217 -43.43737 861.74185
2220.0000 -45.31856 -43.32152 1.99704 2.10121 -43.51814 783.80389
2225.0000 -45.25800 -42.98432 2.27368 2.18052 -42.93375 895.03979
2230.0000 -45.30311 -43.09067 2.21244 2.13650 -43.25817 867.32672
2235.0000 -44.69800 -42.16622 2.53178 2.23919 -42.50149 917.83656
2240.0000 -45.72760 -42.95822 2.76938 2.26119 -42.33938 943.13183
2245.0000 -44.85415 -42.64071 2.21344 2.22894 -42.57700 973.07161
2250.0000 -44.95624 -43.12419 1.83205 2.15833 -43.09727 878.81227
FREEZING PROCESS: loop number 10 T-loop= 878.00000000000000
main_MD> interactions number 10 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.96916 -0.05432 -2.00517
force_rgl> df(natom) 3.79900 0.77580 -0.44073
2255.0000 -45.38933 -42.92782 2.46151 2.21658 -42.66808 931.32671
2260.0000 -44.60986 -42.78649 1.82337 2.23605 -42.52462 961.55269
2265.0000 -44.48185 -42.53070 1.95116 2.24582 -42.45267 919.38075
2270.0000 -44.66901 -42.62429 2.04472 2.15588 -43.11530 866.09740
2275.0000 -44.38690 -42.82643 1.56047 2.25968 -42.35051 907.14457
2280.0000 -44.87829 -42.85674 2.02155 2.17164 -42.99919 798.36987
2285.0000 -46.08013 -43.75525 2.32489 2.17831 -42.95007 843.62928
2290.0000 -45.78706 -43.31442 2.47264 2.07562 -43.70671 808.95702
2295.0000 -45.07097 -43.01432 2.05665 2.18488 -42.90164 871.52886
2300.0000 -46.39631 -43.56968 2.82663 2.11222 -43.43706 808.10324
2305.0000 -45.04476 -43.16601 1.87875 2.15996 -43.08529 918.68796
2310.0000 -45.22526 -42.96222 2.26303 2.21086 -42.71024 908.16682
2315.0000 -45.04869 -42.44735 2.60134 2.23226 -42.55257 896.04419
2320.0000 -45.02921 -43.13104 1.89818 2.17785 -42.95350 856.58145
2325.0000 -45.86287 -43.75866 2.10420 2.10762 -43.47089 874.88404
2330.0000 -46.11144 -44.08428 2.02717 2.06011 -43.82097 761.94550
2335.0000 -44.95277 -42.51096 2.44182 2.14200 -43.21762 859.85431
2340.0000 -44.46227 -42.32185 2.14042 2.36630 -41.56492 1145.98913
2345.0000 -44.73897 -42.35625 2.38272 2.25199 -42.40722 982.20827
2350.0000 -44.91313 -42.51685 2.39628 2.23256 -42.55037 915.88629
2355.0000 -45.88507 -43.66589 2.21918 2.15921 -43.09077 851.17653
2360.0000 -44.87974 -43.34361 1.53613 2.15805 -43.09936 884.60965
2365.0000 -45.18794 -42.86968 2.31826 2.15537 -43.11907 858.81331
2370.0000 -45.65501 -43.12971 2.52531 2.16256 -43.06613 870.64440
2375.0000 -44.40338 -41.68497 2.71841 2.23239 -42.55163 924.71202
2380.0000 -44.43522 -41.69654 2.73868 2.35848 -41.62260 1079.90022
2385.0000 -45.72492 -43.28348 2.44144 2.29412 -42.09681 1007.13743
2390.0000 -45.44166 -42.14160 3.30005 2.17652 -42.96330 961.89989
2395.0000 -44.12180 -42.21344 1.90836 2.29496 -42.09055 1004.79256
2400.0000 -44.71762 -42.58843 2.12919 2.21949 -42.64664 918.59053
2405.0000 -45.07445 -42.75984 2.31461 2.23169 -42.55676 899.88244
2410.0000 -44.78030 -42.83107 1.94922 2.17006 -43.01084 864.24302
2415.0000 -45.31593 -43.00622 2.30971 2.18653 -42.88949 848.06690
2420.0000 -45.58606 -43.54340 2.04266 2.09579 -43.55809 863.51004
2425.0000 -45.18306 -43.32147 1.86159 2.15564 -43.11712 830.17216
2430.0000 -44.69889 -42.63722 2.06167 2.13068 -43.30102 833.57565
2435.0000 -44.48206 -42.26624 2.21581 2.27578 -42.23193 928.61336
2440.0000 -44.23044 -41.81946 2.41098 2.33059 -41.82806 1004.67970
2445.0000 -44.07961 -41.95155 2.12806 2.27739 -42.22003 978.67973
2450.0000 -45.47770 -44.01643 1.46128 2.24880 -42.43068 986.72557
2455.0000 -45.47883 -43.38216 2.09667 2.12228 -43.36291 839.51700
2460.0000 -45.07813 -43.38752 1.69061 2.14086 -43.22604 840.79330
2465.0000 -46.10753 -43.87174 2.23579 2.09204 -43.58568 765.05347
2470.0000 -44.78524 -42.55123 2.23401 2.11399 -43.42402 759.18794
2475.0000 -45.66137 -43.76194 1.89943 2.21571 -42.67448 925.80634
2480.0000 -45.57300 -43.76574 1.80725 2.03392 -44.01395 713.54116
2485.0000 -45.28447 -42.52337 2.76110 2.18233 -42.92044 910.14907
2490.0000 -45.59254 -43.79791 1.79463 2.17466 -42.97695 875.60539
2495.0000 -45.81299 -43.77695 2.03604 2.16254 -43.06626 900.37936
2500.0000 -45.50325 -43.61321 1.89003 2.09859 -43.53747 761.69761
FREEZING PROCESS: loop number 11 T-loop= 853.00000000000000
main_MD> interactions number 11 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.10862 2.74989 0.95964
force_rgl> df(natom) -2.89156 -0.31360 2.79626
2505.0000 -44.92036 -42.81540 2.10497 2.12199 -43.36502 802.86063
2510.0000 -44.94359 -43.08621 1.85739 2.12458 -43.34593 818.34037
2515.0000 -45.24392 -42.49916 2.74475 2.15665 -43.10965 812.37846
2520.0000 -44.92089 -42.69506 2.22583 2.25256 -42.40300 877.74518
2525.0000 -44.75675 -42.55775 2.19899 2.20170 -42.77777 865.73135
2530.0000 -45.29327 -42.82658 2.46669 2.24510 -42.45796 988.41971
2535.0000 -45.57003 -43.62690 1.94314 2.16511 -43.04736 759.99639
2540.0000 -45.25472 -42.77677 2.47795 2.11048 -43.44988 844.98798
2545.0000 -45.32984 -42.89399 2.43584 2.17510 -42.97371 867.41106
2550.0000 -44.09711 -42.01146 2.08565 2.24946 -42.42587 964.84951
2555.0000 -45.27866 -42.25749 3.02117 2.31554 -41.93897 1004.52894
2560.0000 -45.22938 -42.08987 3.13950 2.24708 -42.44337 890.48962
2565.0000 -45.85376 -43.58298 2.27078 2.19055 -42.85989 881.58495
2570.0000 -45.98259 -43.08273 2.89985 2.12124 -43.37054 848.41073
2575.0000 -45.04799 -42.95732 2.09067 2.18212 -42.92203 851.66694
2580.0000 -44.95988 -42.85763 2.10226 2.17333 -42.98676 861.70854
2585.0000 -45.74422 -43.41764 2.32659 2.09103 -43.59312 807.84250
2590.0000 -45.45243 -43.34847 2.10396 2.07814 -43.68814 780.28234
2595.0000 -44.73948 -42.96827 1.77121 2.15007 -43.15817 828.20859
2600.0000 -45.44976 -43.35008 2.09967 2.16966 -43.01382 840.05996
2605.0000 -45.45177 -43.34534 2.10643 2.13630 -43.25960 870.56994
2610.0000 -45.36971 -43.07375 2.29596 2.12529 -43.34072 839.35224
2615.0000 -44.93466 -43.27783 1.65683 2.18066 -42.93279 921.11503
2620.0000 -45.61702 -43.45187 2.16516 2.12109 -43.37166 861.71815
2625.0000 -45.87448 -43.58267 2.29182 2.06844 -43.75963 757.80440
2630.0000 -44.94852 -43.20145 1.74707 2.14365 -43.20546 856.17116
2635.0000 -45.11479 -42.32058 2.79422 2.21835 -42.65504 926.10545
2640.0000 -44.58266 -42.10905 2.47361 2.26419 -42.31731 993.77395
2645.0000 -45.62206 -42.86040 2.76167 2.20187 -42.77645 855.00033
2650.0000 -45.87409 -43.61985 2.25423 2.18139 -42.92741 891.94284
2655.0000 -45.56771 -43.08920 2.47851 2.11761 -43.39734 816.60352
2660.0000 -45.01706 -42.00101 3.01605 2.27983 -42.20205 993.55104
2665.0000 -46.04344 -44.11801 1.92543 2.17637 -42.96439 892.28213
2670.0000 -44.78262 -42.34357 2.43904 2.13285 -43.28500 895.84049
2675.0000 -45.29983 -43.00418 2.29564 2.22586 -42.59975 878.59052
2680.0000 -45.14542 -43.57117 1.57425 2.17289 -42.98999 816.16199
2685.0000 -46.07227 -43.74847 2.32381 2.05711 -43.84307 699.97067
2690.0000 -45.85231 -43.28251 2.56980 2.04371 -43.94180 745.61013
2695.0000 -45.64732 -43.74103 1.90629 2.11634 -43.40667 810.12483
2700.0000 -45.41040 -43.65257 1.75783 2.09572 -43.55858 817.91912
2705.0000 -46.20485 -43.61365 2.59120 2.05337 -43.87063 784.95332
2710.0000 -44.90554 -42.84620 2.05934 2.17103 -43.00369 912.54287
2715.0000 -44.90424 -42.49507 2.40916 2.18786 -42.87969 852.27674
2720.0000 -45.31288 -42.82854 2.48434 2.20836 -42.72867 923.60750
2725.0000 -44.50194 -42.25420 2.24774 2.22911 -42.57579 962.05980
2730.0000 -45.59510 -42.58678 3.00832 2.24289 -42.47423 972.24570
2735.0000 -45.35344 -43.19705 2.15639 2.17306 -42.98877 909.74734
2740.0000 -45.98921 -43.63071 2.35850 2.10587 -43.48381 787.77146
2745.0000 -45.22690 -43.05456 2.17234 2.10274 -43.50688 776.81346
2750.0000 -45.59439 -43.98316 1.61122 2.02841 -44.05455 771.28997
FREEZING PROCESS: loop number 12 T-loop= 828.00000000000000
main_MD> interactions number 12 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71532 1.05897 0.15604
force_rgl> df(natom) -0.63843 2.75937 2.57751
2755.0000 -45.86812 -43.56955 2.29857 2.04244 -43.95118 760.60108
2760.0000 -46.11380 -44.74724 1.36655 1.98762 -44.35508 639.35794
2765.0000 -45.77866 -43.64377 2.13489 2.05635 -43.84870 736.23447
2770.0000 -46.02082 -43.90263 2.11819 2.10921 -43.45919 800.20461
2775.0000 -45.68236 -42.99194 2.69042 2.06618 -43.77624 788.27723
2780.0000 -45.31069 -43.01929 2.29140 2.15109 -43.15060 912.69347
2785.0000 -44.65830 -41.64890 3.00940 2.30708 -42.00126 1033.06853
2790.0000 -45.37980 -42.90947 2.47032 2.29274 -42.10694 1009.37831
2795.0000 -45.49203 -43.08080 2.41123 2.22719 -42.58996 929.72594
2800.0000 -45.33466 -43.14675 2.18791 2.16912 -43.01782 899.50522
2805.0000 -44.91486 -42.72494 2.18991 2.13671 -43.25660 832.69609
2810.0000 -45.02428 -42.90593 2.11835 2.20474 -42.75535 890.51107
2815.0000 -45.86877 -43.24819 2.62058 2.11444 -43.42071 773.92096
2820.0000 -45.64781 -43.31665 2.33116 2.16536 -43.04548 865.59730
2825.0000 -45.14170 -42.68764 2.45405 2.17071 -43.00610 864.56794
2830.0000 -44.69436 -42.63270 2.06166 2.25402 -42.39222 974.40830
2835.0000 -45.52014 -43.18680 2.33334 2.15796 -43.10000 915.23913
2840.0000 -45.44001 -43.52888 1.91112 2.13183 -43.29257 815.44684
2845.0000 -46.35970 -44.67453 1.68516 1.98873 -44.34693 676.34964
2850.0000 -45.29550 -43.20682 2.08868 2.00427 -44.23243 718.46243
2855.0000 -45.44359 -42.31258 3.13102 2.20415 -42.75968 913.91773
2860.0000 -44.49256 -41.84876 2.64379 2.31383 -41.95153 981.53260
2865.0000 -45.00990 -42.98538 2.02453 2.16393 -43.05601 860.53364
2870.0000 -45.77397 -44.18571 1.58826 2.09781 -43.54318 808.70970
2875.0000 -45.83204 -43.24727 2.58477 2.10186 -43.51333 818.59418
2880.0000 -46.21103 -44.45650 1.75453 2.12285 -43.35868 884.32922
2885.0000 -46.55680 -44.13884 2.41796 1.95907 -44.56548 674.99106
2890.0000 -45.17048 -43.66902 1.50146 2.09005 -43.60039 812.26612
2895.0000 -45.04140 -43.03525 2.00614 2.08702 -43.62272 822.47895
2900.0000 -45.86402 -42.95954 2.90448 2.16936 -43.01603 859.67935
2905.0000 -44.73656 -43.29823 1.43833 2.14962 -43.16148 850.89202
2910.0000 -45.57248 -43.77987 1.79262 2.04942 -43.89973 749.59042
2915.0000 -46.25669 -44.68566 1.57103 1.98015 -44.41014 656.87870
2920.0000 -45.46322 -43.92000 1.54321 2.03530 -44.00378 740.63864
2925.0000 -45.33179 -43.73074 1.60105 2.02588 -44.07317 710.67277
2930.0000 -45.90231 -43.33959 2.56272 2.08994 -43.60120 831.26045
2935.0000 -45.31822 -43.45258 1.86565 2.09736 -43.54653 793.74724
2940.0000 -45.34514 -43.13288 2.21226 2.12116 -43.37118 835.82993
2945.0000 -45.30013 -42.85571 2.44442 2.16102 -43.07745 891.21145
2950.0000 -45.03814 -43.49800 1.54014 2.10444 -43.49438 816.20178
2955.0000 -45.71004 -43.40330 2.30674 2.09897 -43.53465 740.98718
2960.0000 -46.00388 -43.98830 2.01558 2.02613 -44.07137 738.84359
2965.0000 -45.33384 -43.36265 1.97119 2.09868 -43.53682 790.03752
2970.0000 -44.94598 -43.10287 1.84311 2.10899 -43.46086 798.08079
2975.0000 -45.74509 -42.93364 2.81144 2.12947 -43.30995 801.63126
2980.0000 -45.37244 -43.50021 1.87223 2.15984 -43.08614 882.27477
2985.0000 -46.04092 -44.23231 1.80861 2.08381 -43.64637 768.52582
2990.0000 -44.91187 -42.88994 2.02192 2.11269 -43.43355 802.08597
2995.0000 -44.69140 -42.61953 2.07186 2.22056 -42.63877 940.38746
3000.0000 -44.96178 -42.13026 2.83152 2.22058 -42.63859 959.89647
FREEZING PROCESS: loop number 13 T-loop= 803.00000000000000
main_MD> interactions number 13 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.20867 1.54276 -0.19499
force_rgl> df(natom) -1.37316 3.23691 -5.14665
3005.0000 -44.59554 -42.27379 2.32174 2.27125 -42.26528 928.72787
3010.0000 -45.14769 -43.47490 1.67279 2.22672 -42.59335 894.88863
3015.0000 -46.01458 -43.33308 2.68150 2.16239 -43.06738 905.90902
3020.0000 -45.11030 -43.05130 2.05900 2.09876 -43.53622 827.85734
3025.0000 -45.21557 -42.85985 2.35572 2.17433 -42.97938 840.51160
3030.0000 -45.51613 -44.01721 1.49892 2.17124 -43.00219 869.23745
3035.0000 -45.54791 -43.38212 2.16578 2.05373 -43.86799 702.00358
3040.0000 -45.49668 -43.66277 1.83390 2.10814 -43.46711 838.95733
3045.0000 -45.69953 -43.62640 2.07313 2.09769 -43.54410 849.82671
3050.0000 -45.30053 -42.75217 2.54837 2.14486 -43.19656 888.64132
3055.0000 -44.89777 -43.06068 1.83709 2.17946 -42.94158 865.46931
3060.0000 -45.16953 -42.98735 2.18218 2.16146 -43.07424 841.76518
3065.0000 -45.69375 -43.61732 2.07644 2.07530 -43.70905 771.67667
3070.0000 -46.84404 -44.19964 2.64440 2.10861 -43.46366 780.42115
3075.0000 -44.59753 -42.64334 1.95419 2.07137 -43.73804 775.34369
3080.0000 -45.22946 -43.21818 2.01128 2.18168 -42.92523 888.88354
3085.0000 -45.82416 -43.79637 2.02779 2.07010 -43.74736 764.11552
3090.0000 -45.14659 -43.59848 1.54811 2.08282 -43.65367 763.97743
3095.0000 -46.00546 -44.03386 1.97160 2.03169 -44.03039 731.80412
3100.0000 -46.05819 -43.93717 2.12102 2.02290 -44.09518 757.79605
3105.0000 -45.69232 -43.85190 1.84043 2.09093 -43.59389 837.13686
3110.0000 -45.79533 -44.04034 1.75499 2.09194 -43.58649 769.34099
3115.0000 -45.37142 -43.51819 1.85323 2.08954 -43.60414 773.27976
3120.0000 -45.76062 -43.33771 2.42290 2.09363 -43.57399 803.99338
3125.0000 -46.03050 -42.83265 3.19785 2.15817 -43.09850 855.06869
3130.0000 -44.97568 -41.90640 3.06928 2.22166 -42.63068 913.65281
3135.0000 -44.10727 -41.99900 2.10828 2.31053 -41.97590 993.30621
3140.0000 -44.70490 -42.39206 2.31284 2.27073 -42.26909 950.09610
3145.0000 -45.26027 -43.18930 2.07097 2.13337 -43.28120 826.34271
3150.0000 -45.13325 -43.57636 1.55689 2.09695 -43.54954 793.80876
3155.0000 -45.14677 -42.80393 2.34284 2.12248 -43.36147 822.02252
3160.0000 -45.13854 -43.04513 2.09342 2.16723 -43.03170 823.67140
3165.0000 -45.69928 -43.41205 2.28723 2.14551 -43.19175 869.17316
3170.0000 -46.04406 -43.39118 2.65288 2.10616 -43.48170 809.72904
3175.0000 -45.96197 -43.74230 2.21967 2.06433 -43.78987 847.68751
3180.0000 -45.94740 -44.25855 1.68885 2.05641 -43.84828 725.67865
3185.0000 -45.25290 -43.35219 1.90071 2.11875 -43.38893 780.43733
3190.0000 -45.37757 -43.29782 2.07976 2.09879 -43.53599 766.29037
3195.0000 -46.12354 -44.32644 1.79710 2.05050 -43.89178 693.20654
3200.0000 -46.14309 -44.20391 1.93918 1.97975 -44.41310 637.27083
3205.0000 -46.02811 -44.17763 1.85048 1.98373 -44.38376 670.78220
3210.0000 -46.36134 -44.25472 2.10662 2.01150 -44.17914 750.53704
3215.0000 -45.95346 -44.09193 1.86153 2.03987 -43.97007 765.98428
3220.0000 -46.17491 -44.43722 1.73769 1.95535 -44.59287 655.59807
3225.0000 -46.05019 -44.20649 1.84370 1.92363 -44.82657 621.44150
3230.0000 -46.24936 -44.39722 1.85214 2.00172 -44.25124 746.91916
3235.0000 -45.28850 -43.06997 2.21853 2.07153 -43.73686 747.08007
3240.0000 -45.33685 -43.38273 1.95412 2.15614 -43.11340 864.19518
3245.0000 -45.98522 -44.07735 1.90786 2.03838 -43.98112 742.21912
3250.0000 -45.79142 -44.39037 1.40105 2.04038 -43.96632 747.87583
FREEZING PROCESS: loop number 14 T-loop= 778.00000000000000
main_MD> interactions number 14 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30160 0.31696 -1.40071
force_rgl> df(natom) 1.57938 0.43363 3.18738
3255.0000 -45.87141 -43.78011 2.09130 2.05248 -43.87722 735.29405
3260.0000 -45.45787 -43.63022 1.82765 2.09072 -43.59545 806.09427
3265.0000 -45.21604 -42.95607 2.25996 2.16651 -43.03701 824.04924
3270.0000 -45.90571 -43.54118 2.36453 2.13965 -43.23491 790.22475
3275.0000 -45.66742 -43.59448 2.07294 2.04293 -43.94756 703.50227
3280.0000 -45.56456 -43.37721 2.18735 2.08263 -43.65503 768.60715
3285.0000 -45.13558 -43.13927 1.99631 2.19567 -42.82213 871.71440
3290.0000 -45.69074 -43.38516 2.30558 2.12195 -43.36533 825.15376
3295.0000 -45.63225 -44.12995 1.50230 2.06580 -43.77903 757.27158
3300.0000 -45.99077 -44.43723 1.55354 2.00373 -44.23642 698.52192
3305.0000 -45.77877 -43.56870 2.21007 2.06107 -43.81392 721.85382
3310.0000 -45.69153 -43.82980 1.86174 2.09253 -43.58214 844.01792
3315.0000 -45.66178 -43.53108 2.13070 2.13151 -43.29493 856.41020
3320.0000 -46.42312 -44.60019 1.82293 2.02371 -44.08916 711.49376
3325.0000 -45.45443 -43.50564 1.94879 2.00424 -44.23264 722.68536
3330.0000 -46.14328 -44.19373 1.94955 2.03990 -43.96988 722.64857
3335.0000 -46.14050 -44.09160 2.04889 2.07680 -43.69804 777.82625
3340.0000 -46.03696 -43.78027 2.25669 2.01690 -44.13936 732.43850
3345.0000 -45.82171 -44.11045 1.71126 2.01046 -44.18678 747.34135
3350.0000 -45.87891 -43.60084 2.27808 2.08041 -43.67141 757.87902
3355.0000 -46.13625 -44.03465 2.10160 2.10753 -43.47158 784.97025
3360.0000 -46.39196 -44.00384 2.38812 2.04507 -43.93178 807.14002
3365.0000 -45.73052 -43.72754 2.00298 2.08029 -43.67232 776.32227
3370.0000 -46.02873 -43.41919 2.60954 2.08137 -43.66431 793.81405
3375.0000 -45.53292 -43.57600 1.95692 2.12142 -43.36926 785.65419
3380.0000 -45.56025 -43.69745 1.86280 2.11394 -43.42437 876.40065
3385.0000 -45.44198 -44.38156 1.06042 1.96693 -44.50754 697.10806
3390.0000 -46.08505 -44.41757 1.66748 2.05463 -43.86134 737.61203
3395.0000 -45.34103 -42.91215 2.42888 2.09752 -43.54531 796.71118
3400.0000 -45.51050 -43.31642 2.19407 2.14185 -43.21868 861.61380
3405.0000 -45.86448 -42.81325 3.05123 2.13748 -43.25089 801.83862
3410.0000 -45.08257 -42.84512 2.23745 2.11972 -43.38179 815.96858
3415.0000 -44.79850 -42.38030 2.41821 2.18575 -42.89528 960.96838
3420.0000 -45.34090 -43.63423 1.70667 2.13640 -43.25890 876.01431
3425.0000 -46.47839 -44.05472 2.42368 2.00932 -44.19517 757.83738
3430.0000 -45.20377 -43.59010 1.61367 2.03377 -44.01502 735.53960
3435.0000 -45.79120 -43.67725 2.11395 2.08032 -43.67209 788.22465
3440.0000 -45.85770 -44.41708 1.44062 2.02447 -44.08359 707.07337
3445.0000 -45.36299 -43.42850 1.93449 2.11307 -43.43073 806.56507
3450.0000 -44.74375 -42.56548 2.17827 2.16930 -43.01649 832.86017
3455.0000 -46.63559 -43.56733 3.06827 2.16763 -43.02874 903.52994
3460.0000 -45.49897 -44.20640 1.29257 2.01811 -44.13043 774.07545
3465.0000 -45.17448 -42.67067 2.50381 2.14021 -43.23083 872.71471
3470.0000 -45.60301 -43.35581 2.24719 2.16029 -43.08283 861.83268
3475.0000 -45.78121 -43.35611 2.42510 2.11326 -43.42940 804.70808
3480.0000 -45.67763 -43.73617 1.94145 2.07130 -43.73855 828.72726
3485.0000 -45.29915 -42.38064 2.91851 2.15992 -43.08559 858.79338
3490.0000 -45.26062 -43.63039 1.63023 2.15782 -43.10104 885.98883
3495.0000 -46.43407 -44.86109 1.57298 1.96826 -44.49775 685.44978
3500.0000 -45.81117 -43.75937 2.05180 1.96282 -44.53780 725.10529
FREEZING PROCESS: loop number 15 T-loop= 753.00000000000000
main_MD> interactions number 15 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14382 2.14079 -1.61525
force_rgl> df(natom) -1.57511 -1.42250 1.60875
3505.0000 -46.14066 -44.42414 1.71653 1.95922 -44.56437 693.31624
3510.0000 -46.55599 -44.26163 2.29435 1.98515 -44.37329 624.33769
3515.0000 -46.04355 -44.18720 1.85635 2.02492 -44.08025 699.75772
3520.0000 -45.46356 -43.09099 2.37257 2.11016 -43.45219 821.48623
3525.0000 -44.84016 -42.45455 2.38560 2.24441 -42.46308 959.29599
3530.0000 -45.59513 -43.46191 2.13322 2.18453 -42.90428 863.69977
3535.0000 -45.32282 -43.41861 1.90421 2.05992 -43.82240 745.98121
3540.0000 -44.69886 -42.32024 2.37862 2.16261 -43.06575 857.27486
3545.0000 -45.09108 -42.49674 2.59435 2.28225 -42.18424 1023.16300
3550.0000 -45.91887 -42.67951 3.23936 2.20799 -42.73140 880.00939
3555.0000 -45.90828 -43.71461 2.19367 2.13631 -43.25950 916.66093
3560.0000 -45.59028 -43.44243 2.14785 2.06830 -43.76063 773.66829
3565.0000 -45.28373 -43.54510 1.73863 2.08408 -43.64437 795.88670
3570.0000 -45.43943 -42.59620 2.84323 2.12074 -43.37427 850.35589
3575.0000 -46.08552 -44.02130 2.06422 2.13649 -43.25820 856.11595
3580.0000 -45.90327 -43.73954 2.16373 2.06474 -43.78685 794.83319
3585.0000 -45.47066 -44.23108 1.23958 2.03637 -43.99593 701.64797
3590.0000 -45.32639 -42.85497 2.47143 2.09296 -43.57897 777.03709
3595.0000 -45.04627 -43.26210 1.78417 2.15206 -43.14350 875.87788
3600.0000 -45.25515 -43.22129 2.03387 2.18393 -42.90870 889.67068
3605.0000 -46.24752 -44.44991 1.79761 2.06931 -43.75318 741.74880
3610.0000 -46.06521 -43.43344 2.63177 2.05412 -43.86508 752.82222
3615.0000 -45.57877 -42.73167 2.84710 2.17375 -42.98365 901.22379
3620.0000 -45.62153 -42.82819 2.79334 2.19025 -42.86207 861.55629
3625.0000 -46.08600 -43.82720 2.25881 2.15227 -43.14194 859.25891
3630.0000 -45.51247 -43.86309 1.64938 2.02302 -44.09428 669.14053
3635.0000 -45.76437 -43.73597 2.02839 2.05066 -43.89060 804.64649
3640.0000 -45.93555 -43.54292 2.39263 2.05500 -43.85866 725.62547
3645.0000 -45.77301 -44.00701 1.76599 2.03524 -44.00424 742.60050
3650.0000 -45.90362 -44.28279 1.62083 2.01086 -44.18383 701.14230
3655.0000 -46.68715 -44.66141 2.02574 2.01730 -44.13639 732.54652
3660.0000 -46.77121 -44.65024 2.12097 1.94683 -44.65560 673.70902
3665.0000 -45.51623 -44.00746 1.50877 1.97862 -44.42143 690.74512
3670.0000 -45.32048 -43.06231 2.25817 2.09266 -43.58115 794.10971
3675.0000 -44.79690 -42.51804 2.27886 2.22302 -42.62065 946.27629
3680.0000 -44.87678 -43.12753 1.74925 2.16263 -43.06561 868.10879
3685.0000 -46.23235 -44.62627 1.60608 2.09222 -43.58439 783.74882
3690.0000 -46.13579 -44.27416 1.86163 2.01418 -44.15942 736.26737
3695.0000 -46.13398 -43.87945 2.25452 2.01159 -44.17848 706.14126
3700.0000 -45.82255 -44.34662 1.47593 2.00453 -44.23053 771.78455
3705.0000 -46.39967 -45.19326 1.20641 1.92788 -44.79529 638.51919
3710.0000 -46.11808 -44.71225 1.40583 1.89148 -45.06344 634.63272
3715.0000 -46.25871 -43.54583 2.71288 2.06158 -43.81013 815.05422
3720.0000 -45.76347 -44.01857 1.74490 2.06555 -43.78093 830.43541
3725.0000 -45.96340 -44.24945 1.71395 2.02205 -44.10138 754.92670
3730.0000 -45.09711 -42.88255 2.21456 2.07857 -43.68493 755.77460
3735.0000 -45.05585 -42.97597 2.07988 2.13411 -43.27577 776.22506
3740.0000 -45.98263 -43.94407 2.03855 2.13711 -43.25365 805.87535
3745.0000 -45.57550 -43.73846 1.83704 2.08451 -43.64121 853.33114
3750.0000 -45.78568 -43.29467 2.49101 2.12305 -43.35725 874.94468
FREEZING PROCESS: loop number 16 T-loop= 728.00000000000000
main_MD> interactions number 16 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26804 2.82965 -3.60753
force_rgl> df(natom) -0.36058 -5.19183 0.99066
3755.0000 -45.77358 -43.68876 2.08482 2.04991 -43.89612 740.28607
3760.0000 -45.90585 -43.76521 2.14064 2.09952 -43.53064 838.43913
3765.0000 -46.30797 -43.65605 2.65192 2.09179 -43.58755 789.42389
3770.0000 -45.97831 -44.08240 1.89591 2.06707 -43.76970 756.99464
3775.0000 -46.74169 -44.75079 1.99090 2.01431 -44.15841 720.95237
3780.0000 -46.49642 -44.68447 1.81196 1.93645 -44.73214 665.77561
3785.0000 -46.19348 -43.91720 2.27628 1.93530 -44.74062 696.02253
3790.0000 -46.01718 -44.21644 1.80073 2.01367 -44.16315 725.62737
3795.0000 -45.44643 -43.59968 1.84675 2.05483 -43.85990 728.58494
3800.0000 -45.99148 -43.52002 2.47146 2.13565 -43.26443 851.17852
3805.0000 -45.88609 -43.78409 2.10200 2.03180 -44.02955 746.70575
3810.0000 -45.54126 -43.39102 2.15024 2.08689 -43.62367 785.79772
3815.0000 -45.34062 -43.34954 1.99108 2.08523 -43.63586 823.78325
3820.0000 -45.08051 -43.24781 1.83271 2.16398 -43.05567 846.05476
3825.0000 -45.51587 -43.49909 2.01678 2.07121 -43.73918 763.62460
3830.0000 -45.60289 -43.77956 1.82333 2.03102 -44.03531 721.20202
3835.0000 -45.78096 -44.02705 1.75391 2.01940 -44.12096 664.85444
3840.0000 -45.54686 -44.01573 1.53112 2.00373 -44.23641 746.55317
3845.0000 -45.73807 -43.70682 2.03125 2.06876 -43.75724 778.73216
3850.0000 -45.89386 -44.08248 1.81137 2.01213 -44.17449 692.16868
3855.0000 -45.70196 -44.22103 1.48093 1.98477 -44.37610 648.79797
3860.0000 -45.90599 -44.00073 1.90526 1.98375 -44.38358 661.63961
3865.0000 -46.22537 -44.07341 2.15196 2.07578 -43.70554 790.84517
3870.0000 -46.79985 -44.94042 1.85943 1.95177 -44.61927 656.91754
3875.0000 -46.71381 -45.25776 1.45605 1.95839 -44.57045 711.91427
3880.0000 -46.98997 -45.77306 1.21691 1.84385 -45.41438 560.48927
3885.0000 -46.65023 -44.55375 2.09647 1.83170 -45.50393 534.16319
3890.0000 -46.00467 -44.28445 1.72021 2.03275 -44.02261 738.43976
3895.0000 -46.34010 -44.64708 1.69302 1.99006 -44.33715 708.54855
3900.0000 -46.51627 -44.79259 1.72367 1.93549 -44.73920 674.63617
3905.0000 -46.04587 -44.37642 1.66946 1.97225 -44.46832 707.19296
3910.0000 -46.19537 -44.57585 1.61952 1.99502 -44.30060 664.29561
3915.0000 -45.74105 -43.75449 1.98656 2.00545 -44.22372 706.44681
3920.0000 -45.71308 -43.07409 2.63899 2.11949 -43.38347 835.59041
3925.0000 -46.07915 -44.19660 1.88256 2.06766 -43.76534 746.34080
3930.0000 -45.76599 -43.66126 2.10472 2.03829 -43.98176 704.57453
3935.0000 -45.97253 -43.77914 2.19339 2.09342 -43.57552 791.88990
3940.0000 -45.68781 -43.94685 1.74096 2.05629 -43.84910 750.93244
3945.0000 -46.01643 -44.33354 1.68289 1.99205 -44.32248 635.61368
3950.0000 -45.68282 -44.36457 1.31825 1.98405 -44.38138 635.44654
3955.0000 -45.23713 -42.70895 2.52818 2.13606 -43.26134 826.38769
3960.0000 -45.98296 -43.92283 2.06013 2.12670 -43.33036 833.65364
3965.0000 -45.99484 -44.41620 1.57864 2.03233 -44.02569 730.16009
3970.0000 -45.96732 -44.11891 1.84841 1.98370 -44.38399 706.56983
3975.0000 -46.29923 -43.26724 3.03199 2.00163 -44.25186 735.61898
3980.0000 -45.58712 -43.59661 1.99051 2.10108 -43.51912 827.99161
3985.0000 -45.78403 -44.28802 1.49601 2.01927 -44.12187 734.19721
3990.0000 -46.24878 -44.18455 2.06424 1.99505 -44.30037 714.52835
3995.0000 -45.53658 -43.62894 1.90763 2.03479 -44.00752 763.24242
4000.0000 -45.74257 -43.89341 1.84916 2.07177 -43.73504 755.44320
FREEZING PROCESS: loop number 17 T-loop= 703.00000000000000
main_MD> interactions number 17 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.70833 1.90432 1.72202
force_rgl> df(natom) -0.94028 1.39635 1.27855
4005.0000 -46.21889 -44.19174 2.02715 2.05059 -43.89113 708.50258
4010.0000 -46.40332 -44.53635 1.86697 2.00909 -44.19687 651.68400
4015.0000 -45.69221 -43.36607 2.32615 2.05482 -43.85996 770.33440
4020.0000 -46.35382 -44.74562 1.60820 2.03269 -44.02300 720.26359
4025.0000 -46.19845 -43.87446 2.32399 2.02299 -44.09449 695.40637
4030.0000 -46.51036 -44.42408 2.08627 2.07367 -43.72109 773.91520
4035.0000 -46.73704 -44.97915 1.75789 1.97759 -44.42896 672.62815
4040.0000 -46.37056 -44.38692 1.98364 1.96149 -44.54761 662.80820
4045.0000 -46.83711 -44.43668 2.40043 1.97549 -44.44444 761.75300
4050.0000 -47.09524 -44.97553 2.11970 1.92252 -44.83476 652.95426
4055.0000 -46.63885 -45.02425 1.61460 1.98345 -44.38581 707.35888
4060.0000 -46.48568 -45.00301 1.48267 1.87579 -45.17909 578.46835
4065.0000 -45.85255 -43.98567 1.86688 1.97484 -44.44929 685.02432
4070.0000 -45.91321 -43.99221 1.92100 2.02754 -44.06094 746.91494
4075.0000 -45.66181 -43.97549 1.68631 2.00480 -44.22847 671.38091
4080.0000 -45.77692 -43.81408 1.96284 2.04973 -43.89747 745.96957
4085.0000 -46.14143 -44.16621 1.97522 2.00093 -44.25701 637.11019
4090.0000 -46.01661 -43.89951 2.11710 2.03647 -43.99516 803.90129
4095.0000 -46.11931 -43.93503 2.18428 2.04758 -43.91332 740.45776
4100.0000 -45.80688 -43.61406 2.19282 2.11134 -43.44348 831.57340
4105.0000 -46.61853 -44.33891 2.27962 2.00004 -44.26355 684.29726
4110.0000 -45.99489 -44.23353 1.76136 2.01150 -44.17918 745.81773
4115.0000 -46.54311 -44.10991 2.43320 2.00833 -44.20252 702.58033
4120.0000 -46.51143 -44.61800 1.89344 2.00586 -44.22073 700.65264
4125.0000 -46.40047 -45.11805 1.28241 1.92708 -44.80116 628.17351
4130.0000 -46.70207 -45.05170 1.65038 1.85232 -45.35202 544.87530
4135.0000 -46.85369 -45.47270 1.38099 1.88914 -45.08072 604.27794
4140.0000 -46.67801 -45.06261 1.61540 1.86294 -45.27372 576.13460
4145.0000 -46.59542 -44.76044 1.83498 1.89549 -45.03388 624.17374
4150.0000 -46.85085 -45.14589 1.70496 1.89105 -45.06660 629.18349
4155.0000 -46.18209 -44.30049 1.88160 1.91783 -44.86932 581.96427
4160.0000 -46.70299 -44.80157 1.90142 1.98829 -44.35018 718.64484
4165.0000 -46.31719 -44.69215 1.62504 1.94310 -44.68313 706.40344
4170.0000 -46.76916 -45.37000 1.39916 1.92069 -44.84826 671.64736
4175.0000 -45.99105 -43.99131 1.99974 1.96417 -44.52786 685.77043
4180.0000 -46.20407 -44.72015 1.48392 1.95967 -44.56103 645.71029
4185.0000 -46.01797 -43.61472 2.40325 2.01477 -44.15507 686.60637
4190.0000 -46.88563 -45.11846 1.76717 1.95812 -44.57242 654.30705
4195.0000 -46.32228 -44.34748 1.97480 1.93613 -44.73446 623.08736
4200.0000 -46.81170 -45.34334 1.46837 1.98061 -44.40674 715.76208
4205.0000 -46.16923 -44.94157 1.22767 1.87049 -45.21812 592.46540
4210.0000 -45.97656 -44.64785 1.32871 1.96474 -44.52369 719.17523
4215.0000 -46.62740 -44.34637 2.28104 1.98598 -44.36718 731.54252
4220.0000 -46.46642 -44.56689 1.89953 1.98516 -44.37319 690.36698
4225.0000 -45.73493 -43.70258 2.03235 2.02215 -44.10064 742.32248
4230.0000 -45.68443 -43.30230 2.38213 2.10271 -43.50709 810.55257
4235.0000 -46.17193 -44.38783 1.78409 2.03680 -43.99272 741.96141
4240.0000 -45.70016 -44.09485 1.60532 1.97122 -44.47595 655.01216
4245.0000 -45.80573 -43.74046 2.06527 2.04037 -43.96646 731.80740
4250.0000 -45.53934 -44.20606 1.33328 1.97534 -44.44558 674.21998
FREEZING PROCESS: loop number 18 T-loop= 678.00000000000000
main_MD> interactions number 18 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52643 -4.37670 -2.71417
force_rgl> df(natom) -0.88570 -0.76838 0.96016
4255.0000 -46.22448 -43.39011 2.83437 2.04229 -43.95231 718.09627
4260.0000 -45.42959 -43.56629 1.86330 2.11316 -43.43008 866.76663
4265.0000 -46.64127 -44.15703 2.48424 2.05893 -43.82965 710.88612
4270.0000 -45.95976 -44.27452 1.68524 2.01420 -44.15922 704.43343
4275.0000 -46.30385 -44.81543 1.48842 1.92262 -44.83399 576.71265
4280.0000 -46.42014 -44.76631 1.65384 1.87394 -45.19267 535.19643
4285.0000 -45.82205 -44.45976 1.36230 1.93101 -44.77218 616.13628
4290.0000 -46.15668 -44.42937 1.72731 1.91601 -44.88270 555.41027
4295.0000 -46.08175 -44.46991 1.61184 1.99429 -44.30595 660.56144
4300.0000 -46.30346 -44.85019 1.45327 1.96832 -44.49731 618.79569
4305.0000 -46.56783 -44.64671 1.92111 1.98604 -44.36674 675.57804
4310.0000 -46.43589 -44.14883 2.28706 1.96832 -44.49733 641.23761
4315.0000 -46.32696 -44.92658 1.40038 1.97785 -44.42709 676.89937
4320.0000 -46.92506 -45.52784 1.39722 1.83210 -45.50100 552.85371
4325.0000 -47.08568 -46.02080 1.06488 1.78234 -45.86758 475.75179
4330.0000 -46.59099 -45.51645 1.07454 1.84755 -45.38711 539.86135
4335.0000 -46.20068 -44.85710 1.34357 1.85718 -45.31616 503.45437
4340.0000 -46.27637 -44.92486 1.35151 1.87803 -45.16259 555.99561
4345.0000 -46.24534 -44.83344 1.41190 1.90410 -44.97050 576.33991
4350.0000 -46.37144 -44.87534 1.49610 1.90447 -44.96777 617.73343
4355.0000 -46.55663 -44.53387 2.02275 1.95544 -44.59222 692.00050
4360.0000 -46.13277 -45.06293 1.06984 1.91156 -44.91548 618.77319
4365.0000 -46.48182 -44.82896 1.65287 1.85148 -45.35815 519.15004
4370.0000 -46.63429 -45.03686 1.59743 1.89542 -45.03445 630.56598
4375.0000 -46.08558 -44.24446 1.84112 1.95758 -44.57644 701.03078
4380.0000 -46.57825 -45.34050 1.23775 1.93015 -44.77852 665.34467
4385.0000 -46.58604 -45.25760 1.32845 1.84611 -45.39777 549.09476
4390.0000 -46.62967 -44.69262 1.93705 1.90068 -44.99568 630.92411
4395.0000 -45.43566 -44.04021 1.39545 1.99649 -44.28975 712.09752
4400.0000 -46.27400 -44.11535 2.15865 2.04829 -43.90808 767.80096
4405.0000 -45.85180 -44.12651 1.72529 1.97832 -44.42360 694.54545
4410.0000 -46.30044 -43.80425 2.49618 2.06550 -43.78124 800.25610
4415.0000 -46.20462 -44.48016 1.72446 1.97259 -44.46582 710.44608
4420.0000 -45.34821 -43.79566 1.55254 2.03303 -44.02052 765.31639
4425.0000 -46.19372 -44.56489 1.62883 2.05182 -43.88206 750.83001
4430.0000 -46.68473 -44.88599 1.79875 1.91211 -44.91145 564.43506
4435.0000 -46.23442 -44.71963 1.51479 1.93756 -44.72393 591.43053
4440.0000 -46.42745 -44.93399 1.49346 1.94845 -44.64368 581.43293
4445.0000 -46.57805 -45.18148 1.39657 1.91387 -44.89848 571.60391
4450.0000 -46.83586 -44.71917 2.11669 1.90708 -44.94853 658.01296
4455.0000 -46.47066 -44.73761 1.73305 1.91847 -44.86462 689.66871
4460.0000 -46.23854 -44.77352 1.46501 1.94761 -44.64990 709.14741
4465.0000 -46.05545 -43.91208 2.14337 1.99719 -44.28457 704.52938
4470.0000 -46.44759 -44.50560 1.94199 1.98898 -44.34509 752.47363
4475.0000 -46.40742 -44.43624 1.97117 1.97566 -44.44320 647.35453
4480.0000 -46.00430 -44.23699 1.76731 2.02547 -44.07623 723.95615
4485.0000 -46.17383 -44.57204 1.60179 1.94723 -44.65267 614.82159
4490.0000 -45.58262 -43.56249 2.02012 2.04421 -43.93811 750.63197
4495.0000 -45.78806 -42.89121 2.89685 2.08536 -43.63491 763.24953
4500.0000 -45.25975 -43.25776 2.00200 2.19354 -42.83784 885.07423
FREEZING PROCESS: loop number 19 T-loop= 653.00000000000000
main_MD> interactions number 19 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28878 1.08326 0.23836
force_rgl> df(natom) -2.96969 -0.90246 -2.99059
4505.0000 -46.28667 -44.18406 2.10261 2.09807 -43.54128 733.37783
4510.0000 -46.06308 -43.86875 2.19432 2.04121 -43.96026 741.84125
4515.0000 -45.42065 -43.50029 1.92036 2.09470 -43.56613 785.93638
4520.0000 -45.44306 -43.66765 1.77540 2.10698 -43.47566 810.21124
4525.0000 -46.13973 -43.96537 2.17436 2.10060 -43.52265 828.48192
4530.0000 -46.25735 -44.33740 1.91995 2.00503 -44.22681 715.85598
4535.0000 -46.22854 -44.29235 1.93619 2.00176 -44.25090 656.38706
4540.0000 -45.57226 -43.32805 2.24421 2.02784 -44.05877 689.02796
4545.0000 -45.85352 -43.55807 2.29544 2.10826 -43.46618 800.49027
4550.0000 -46.45146 -43.88394 2.56752 2.06270 -43.80192 804.60231
4555.0000 -45.91798 -43.35874 2.55924 2.05250 -43.87702 793.29463
4560.0000 -45.89190 -43.75656 2.13534 2.09583 -43.55779 817.03096
4565.0000 -46.07254 -43.70860 2.36394 2.05526 -43.85668 761.21967
4570.0000 -45.52028 -44.01302 1.50726 2.02507 -44.07916 743.91708
4575.0000 -46.58634 -44.56018 2.02616 1.98880 -44.34640 741.29446
4580.0000 -46.48610 -44.45380 2.03230 1.92218 -44.83725 662.93166
4585.0000 -46.35935 -43.98164 2.37771 2.04300 -43.94706 745.31394
4590.0000 -46.61026 -44.43604 2.17422 2.02992 -44.04346 740.75389
4595.0000 -46.86046 -45.39917 1.46129 1.94126 -44.69669 675.57236
4600.0000 -47.01009 -45.50562 1.50447 1.83900 -45.45011 535.76963
4605.0000 -47.17986 -45.37124 1.80863 1.83009 -45.51581 537.30965
4610.0000 -46.74923 -45.05891 1.69032 1.87569 -45.17983 603.52992
4615.0000 -47.02297 -45.09071 1.93226 1.89929 -45.00594 643.95754
4620.0000 -47.03392 -45.36222 1.67170 1.85760 -45.31305 583.61424
4625.0000 -46.40055 -44.43492 1.96563 1.87837 -45.16002 576.77408
4630.0000 -45.73894 -43.95981 1.77913 2.01263 -44.17079 731.49568
4635.0000 -45.65361 -43.97190 1.68171 2.03445 -44.01005 752.99137
4640.0000 -46.37757 -44.31974 2.05783 1.98544 -44.37114 669.09990
4645.0000 -46.70813 -45.03805 1.67007 1.98384 -44.38291 659.67983
4650.0000 -46.43257 -45.29081 1.14176 1.91349 -44.90130 614.71012
4655.0000 -46.23651 -44.13512 2.10139 1.92994 -44.78009 602.22484
4660.0000 -46.00438 -44.17096 1.83342 2.02542 -44.07659 670.05514
4665.0000 -45.93023 -44.08767 1.84256 2.04325 -43.94524 743.07671
4670.0000 -45.61231 -43.90937 1.70294 2.04468 -43.93466 734.58129
4675.0000 -45.21082 -43.61063 1.60019 2.08313 -43.65136 790.83379
4680.0000 -46.08398 -44.28470 1.79928 2.03978 -43.97081 723.20761
4685.0000 -46.22171 -44.21383 2.00788 1.99605 -44.29295 686.94621
4690.0000 -45.95224 -44.15780 1.79444 2.02881 -44.05164 759.43773
4695.0000 -46.10751 -44.59035 1.51716 1.98295 -44.38951 653.03129
4700.0000 -46.58339 -44.77307 1.81032 1.95595 -44.58841 663.20697
4705.0000 -45.84049 -44.41603 1.42447 1.98480 -44.37585 645.47065
4710.0000 -46.08440 -44.10429 1.98011 2.00715 -44.21122 657.34366
4715.0000 -46.09874 -43.94223 2.15652 2.02805 -44.05717 729.24624
4720.0000 -45.78472 -44.48861 1.29611 1.97758 -44.42910 658.56142
4725.0000 -46.06069 -44.34463 1.71606 1.97961 -44.41409 632.27071
4730.0000 -46.24594 -44.44545 1.80049 1.96141 -44.54819 611.32148
4735.0000 -45.98300 -44.91267 1.07033 1.93068 -44.77463 617.63490
4740.0000 -46.08847 -44.60550 1.48298 1.94577 -44.66345 601.30645
4745.0000 -46.15589 -44.66335 1.49254 1.93500 -44.74277 577.76011
4750.0000 -45.46897 -44.30320 1.16577 1.97736 -44.43066 649.39821
FREEZING PROCESS: loop number 20 T-loop= 628.00000000000000
main_MD> interactions number 20 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.63241 1.36943 -3.13751
force_rgl> df(natom) 1.44100 -2.83675 -1.78924
4755.0000 -46.58004 -44.84449 1.73555 1.96147 -44.54778 619.74976
4760.0000 -46.56207 -44.75672 1.80535 1.93457 -44.74600 633.18158
4765.0000 -46.47679 -44.96594 1.51085 1.92359 -44.82688 668.20260
4770.0000 -46.37731 -44.15589 2.22142 1.98799 -44.35237 724.62367
4775.0000 -46.96738 -45.29575 1.67163 1.92282 -44.83252 635.21480
4780.0000 -46.93221 -44.92082 2.01140 1.90302 -44.97840 657.23098
4785.0000 -46.21321 -44.96917 1.24404 1.89749 -45.01917 591.39857
4790.0000 -46.85357 -45.34011 1.51346 1.87139 -45.21149 586.10517
4795.0000 -47.17400 -44.94373 2.23027 1.86056 -45.29127 557.12123
4800.0000 -46.77398 -44.90803 1.86594 1.92255 -44.83452 648.55195
4805.0000 -46.87304 -45.52584 1.34720 1.88020 -45.14659 590.91941
4810.0000 -46.61130 -45.08441 1.52688 1.81264 -45.64437 514.76855
4815.0000 -46.49072 -45.30921 1.18151 1.87078 -45.21596 573.83869
4820.0000 -46.55235 -44.94680 1.60556 1.89471 -45.03962 650.91038
4825.0000 -46.25791 -44.90980 1.34811 1.92865 -44.78958 690.83338
4830.0000 -46.62102 -44.24890 2.37212 1.93193 -44.76543 607.30356
4835.0000 -45.99675 -44.32126 1.67549 2.00449 -44.23078 698.04338
4840.0000 -46.55188 -44.66699 1.88488 1.94896 -44.63997 619.28228
4845.0000 -45.87082 -44.12695 1.74387 1.92822 -44.79272 642.26608
4850.0000 -45.65542 -43.78703 1.86839 2.05063 -43.89083 750.32513
4855.0000 -45.51625 -43.79559 1.72066 2.04452 -43.93583 691.64482
4860.0000 -45.30941 -44.19728 1.11213 2.04738 -43.91480 739.19759
4865.0000 -45.73539 -44.21151 1.52388 1.95541 -44.59240 591.49696
4870.0000 -46.69024 -45.01488 1.67536 1.94807 -44.64652 615.55647
4875.0000 -47.00027 -45.35323 1.64704 1.86649 -45.24756 520.69964
4880.0000 -46.89932 -44.86353 2.03579 1.87820 -45.16128 595.70344
4885.0000 -46.67873 -44.72724 1.95149 1.92602 -44.80896 615.00428
4890.0000 -46.55290 -44.83670 1.71620 1.92430 -44.82162 637.16196
4895.0000 -45.87010 -44.38341 1.48669 1.93733 -44.72562 636.81471
4900.0000 -46.50838 -45.11346 1.39492 1.94679 -44.65591 671.47590
4905.0000 -46.96026 -45.61229 1.34797 1.84253 -45.42415 538.29860
4910.0000 -45.23981 -43.32804 1.91177 2.00158 -44.25224 691.75652
4915.0000 -46.52140 -44.44732 2.07408 2.04146 -43.95837 705.53378
4920.0000 -45.75136 -44.21328 1.53808 1.97266 -44.46533 667.52046
4925.0000 -46.42930 -44.74950 1.67980 1.93295 -44.75791 620.06806
4930.0000 -46.40111 -44.68552 1.71560 1.97079 -44.47910 641.97882
4935.0000 -45.89866 -44.07758 1.82108 2.00516 -44.22585 725.44488
4940.0000 -46.62729 -44.68431 1.94298 1.95565 -44.59066 695.55926
4945.0000 -46.67125 -45.03703 1.63422 1.90725 -44.94727 659.56445
4950.0000 -46.74825 -45.16469 1.58356 1.86836 -45.23379 592.06406
4955.0000 -46.75548 -45.39391 1.36157 1.89434 -45.04238 636.27464
4960.0000 -45.89241 -43.79832 2.09408 1.94884 -44.64079 702.53205
4965.0000 -46.16287 -44.32638 1.83649 2.00053 -44.26000 709.98328
4970.0000 -46.34811 -45.00341 1.34471 1.95772 -44.57542 603.16883
4975.0000 -46.72335 -45.15558 1.56777 1.87484 -45.18608 561.59060
4980.0000 -46.30931 -44.96984 1.33947 1.88400 -45.11854 605.43080
4985.0000 -46.53200 -44.60079 1.93121 1.95162 -44.62035 740.54688
4990.0000 -46.58667 -45.36071 1.22595 1.89628 -45.02812 623.86068
4995.0000 -46.69284 -44.97231 1.72053 1.87523 -45.18321 554.80174
5000.0000 -46.56813 -44.68835 1.87977 1.90592 -44.95709 630.72984
FREEZING PROCESS: loop number 21 T-loop= 603.00000000000000
main_MD> interactions number 21 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77105 4.56816 -0.62277
force_rgl> df(natom) -0.68243 -4.12701 1.05766
5005.0000 -46.05077 -44.79972 1.25105 1.96916 -44.49114 664.42299
5010.0000 -46.54722 -45.26625 1.28098 1.92204 -44.83830 589.01477
5015.0000 -46.71969 -45.31976 1.39993 1.84646 -45.39517 558.48006
5020.0000 -46.94006 -45.53482 1.40524 1.81553 -45.62304 533.26906
5025.0000 -46.42992 -45.31741 1.11252 1.85510 -45.33148 574.94072
5030.0000 -46.75568 -45.46295 1.29273 1.82666 -45.54107 537.20655
5035.0000 -46.88366 -45.19501 1.68865 1.84315 -45.41956 568.61204
5040.0000 -46.40128 -45.05396 1.34732 1.92469 -44.81879 656.95961
5045.0000 -46.58950 -45.18524 1.40426 1.93344 -44.75430 646.46422
5050.0000 -46.81294 -45.57192 1.24102 1.83702 -45.46470 554.08029
5055.0000 -46.80093 -45.55128 1.24965 1.86047 -45.29191 600.05479
5060.0000 -47.27767 -46.10291 1.17476 1.77014 -45.95748 460.16127
5065.0000 -46.93512 -45.16329 1.77183 1.81584 -45.62075 533.35444
5070.0000 -46.66658 -44.96727 1.69931 1.88873 -45.08372 573.61074
5075.0000 -46.86292 -45.32676 1.53616 1.84373 -45.41528 549.32646
5080.0000 -47.43821 -46.16922 1.26899 1.80834 -45.67603 506.32468
5085.0000 -47.29093 -45.93676 1.35418 1.78421 -45.85383 488.98225
5090.0000 -46.72623 -45.04591 1.68032 1.84410 -45.41257 545.26881
5095.0000 -46.77615 -45.27218 1.50397 1.87179 -45.20856 563.77486
5100.0000 -46.69903 -45.15580 1.54323 1.88885 -45.08283 606.62251
5105.0000 -46.61127 -44.15847 2.45279 1.97228 -44.46812 698.32113
5110.0000 -46.81824 -44.99985 1.81839 1.96946 -44.48890 703.37664
5115.0000 -46.62781 -45.37816 1.24965 1.90409 -44.97053 628.47417
5120.0000 -46.86517 -45.15485 1.71032 1.86785 -45.23759 577.71609
5125.0000 -47.11002 -45.66019 1.44983 1.84063 -45.43811 546.15074
5130.0000 -46.52974 -45.17391 1.35584 1.85763 -45.31290 557.77678
5135.0000 -47.09574 -45.46245 1.63329 1.85492 -45.33285 570.53456
5140.0000 -46.56033 -44.85340 1.70692 1.86575 -45.25305 572.21160
5145.0000 -46.11779 -44.56847 1.54932 1.96082 -44.55254 658.85147
5150.0000 -46.07857 -44.20367 1.87490 1.96169 -44.54611 667.35233
5155.0000 -46.60149 -44.78804 1.81345 2.00025 -44.26200 717.69334
5160.0000 -46.69413 -45.34158 1.35255 1.91450 -44.89382 666.64987
5165.0000 -46.97763 -44.79915 2.17848 1.89574 -45.03207 639.58410
5170.0000 -46.66966 -45.50700 1.16267 1.87061 -45.21722 596.46892
5175.0000 -47.00212 -45.79691 1.20520 1.84633 -45.39610 545.84889
5180.0000 -46.85242 -45.99243 0.86000 1.77158 -45.94690 450.21399
5185.0000 -46.96948 -45.57885 1.39063 1.78227 -45.86809 482.50828
5190.0000 -46.87910 -45.43568 1.44342 1.89227 -45.05765 610.48077
5195.0000 -46.63875 -45.11632 1.52243 1.90975 -44.92886 598.07259
5200.0000 -46.63191 -45.51592 1.11599 1.81822 -45.60326 538.69725
5205.0000 -46.75501 -45.32150 1.43351 1.86569 -45.25351 573.77215
5210.0000 -47.02475 -45.64919 1.37556 1.86119 -45.28665 576.20428
5215.0000 -46.27234 -44.77870 1.49364 1.83540 -45.47663 550.63107
5220.0000 -46.33174 -44.70278 1.62896 1.91516 -44.88899 642.95715
5225.0000 -46.63610 -44.88878 1.74732 1.87093 -45.21488 590.89093
5230.0000 -46.72381 -45.10152 1.62228 1.90661 -44.95199 630.65340
5235.0000 -47.02205 -45.42187 1.60018 1.88416 -45.11742 605.15051
5240.0000 -47.19083 -45.92882 1.26200 1.78887 -45.81950 474.52972
5245.0000 -47.11803 -45.72624 1.39179 1.83491 -45.48025 549.15397
5250.0000 -47.36165 -45.82977 1.53189 1.79479 -45.77587 505.61758
FREEZING PROCESS: loop number 22 T-loop= 578.00000000000000
main_MD> interactions number 22 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74711 -0.88552 -0.33095
force_rgl> df(natom) 1.32433 -0.63824 1.20873
5255.0000 -47.22039 -45.63713 1.58326 1.76450 -45.99903 469.13255
5260.0000 -47.08200 -45.67419 1.40781 1.85075 -45.36357 580.54910
5265.0000 -46.82709 -45.55012 1.27696 1.81758 -45.60799 524.11325
5270.0000 -46.75574 -44.54925 2.20649 1.88603 -45.10361 549.26486
5275.0000 -45.97206 -44.50360 1.46846 1.98486 -44.37540 657.16494
5280.0000 -46.37764 -44.56408 1.81355 1.98200 -44.39646 678.17907
5285.0000 -46.29071 -44.88489 1.40582 1.94711 -44.65358 647.29268
5290.0000 -46.36431 -44.67444 1.68987 1.88553 -45.10726 595.40174
5295.0000 -45.94836 -44.39299 1.55537 1.98969 -44.33982 709.88657
5300.0000 -46.22500 -44.35508 1.86992 1.95650 -44.58441 652.31056
5305.0000 -46.75163 -44.83977 1.91186 1.96673 -44.50897 693.74392
5310.0000 -46.85557 -45.01273 1.84284 1.90451 -44.96747 624.44474
5315.0000 -47.46739 -46.10731 1.36008 1.83705 -45.46452 539.47786
5320.0000 -47.12081 -45.62602 1.49479 1.76855 -45.96924 478.93209
5325.0000 -47.01582 -45.26047 1.75535 1.83384 -45.48816 553.06795
5330.0000 -46.37269 -45.17579 1.19691 1.87379 -45.19379 594.13357
5335.0000 -46.67826 -45.04250 1.63576 1.90213 -44.98496 604.02047
5340.0000 -47.11111 -45.42619 1.68492 1.90942 -44.93129 638.08714
5345.0000 -46.11090 -44.34316 1.76773 1.90092 -44.99391 599.22708
5350.0000 -46.89408 -45.30412 1.58996 1.91517 -44.88887 614.76134
5355.0000 -47.06055 -45.71130 1.34925 1.88823 -45.08739 599.89875
5360.0000 -46.72390 -45.74136 0.98254 1.82213 -45.57442 539.20137
5365.0000 -47.02972 -45.88987 1.13984 1.81640 -45.61665 490.65770
5370.0000 -47.23568 -46.18084 1.05484 1.79912 -45.74396 503.75493
5375.0000 -46.96702 -45.83354 1.13348 1.75791 -46.04759 447.03490
5380.0000 -46.98405 -45.82851 1.15554 1.76893 -45.96642 471.71390
5385.0000 -47.12293 -45.88007 1.24287 1.80266 -45.71792 511.41455
5390.0000 -47.24509 -45.94381 1.30129 1.75024 -46.10412 436.46891
5395.0000 -46.95956 -45.39846 1.56110 1.80831 -45.67624 504.62820
5400.0000 -46.77888 -45.59011 1.18877 1.83425 -45.48513 545.90340
5405.0000 -47.04048 -45.76899 1.27149 1.81240 -45.64610 534.97622
5410.0000 -46.45401 -45.49585 0.95816 1.81618 -45.61828 529.88102
5415.0000 -46.66678 -45.70291 0.96387 1.81057 -45.65964 516.87077
5420.0000 -46.76995 -45.35924 1.41072 1.82578 -45.54753 528.57153
5425.0000 -46.68166 -45.59452 1.08714 1.84870 -45.37863 570.98480
5430.0000 -47.39748 -45.97827 1.41920 1.78427 -45.85335 484.13361
5435.0000 -47.29058 -45.72622 1.56436 1.76120 -46.02334 480.32519
5440.0000 -47.27884 -45.88375 1.39509 1.81406 -45.63389 532.42034
5445.0000 -46.82196 -45.66972 1.15224 1.78901 -45.81845 475.56864
5450.0000 -46.99108 -45.27872 1.71235 1.83893 -45.45063 548.90756
5455.0000 -47.30828 -45.50479 1.80349 1.85773 -45.31214 579.32705
5460.0000 -47.13700 -45.72979 1.40720 1.81130 -45.65424 541.27426
5465.0000 -46.77259 -45.43471 1.33788 1.83636 -45.46959 551.06918
5470.0000 -46.85159 -45.20353 1.64805 1.80452 -45.70415 514.02784
5475.0000 -46.90419 -44.96868 1.93551 1.86021 -45.29386 584.49570
5480.0000 -46.58276 -44.52524 2.05751 1.93804 -44.72038 705.91613
5485.0000 -46.73243 -45.60479 1.12764 1.85836 -45.30750 559.92554
5490.0000 -46.79475 -45.69737 1.09738 1.81315 -45.64059 503.99962
5495.0000 -46.50065 -45.27036 1.23029 1.86058 -45.29116 559.42661
5500.0000 -47.10031 -45.73969 1.36062 1.80895 -45.67154 508.63426
FREEZING PROCESS: loop number 23 T-loop= 553.00000000000000
main_MD> interactions number 23 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.32940 0.16423 0.00210
force_rgl> df(natom) -0.53180 0.89512 -1.19966
5505.0000 -46.57303 -45.15752 1.41550 1.85684 -45.31872 557.55613
5510.0000 -47.05145 -44.90797 2.14348 1.90449 -44.96760 643.65265
5515.0000 -47.01271 -45.24981 1.76290 1.89304 -45.05199 620.12398
5520.0000 -46.65245 -45.28047 1.37198 1.84706 -45.39078 568.76331
5525.0000 -46.92406 -45.85175 1.07231 1.83441 -45.48394 548.07311
5530.0000 -47.04608 -45.19812 1.84797 1.82257 -45.57119 527.79326
5535.0000 -46.61738 -45.28102 1.33636 1.84035 -45.44021 560.16554
5540.0000 -47.21230 -45.95798 1.25432 1.79849 -45.74861 491.64046
5545.0000 -46.84123 -45.55863 1.28260 1.82373 -45.56262 511.52118
5550.0000 -46.66304 -45.37875 1.28428 1.81993 -45.59067 528.38501
5555.0000 -47.21939 -45.78506 1.43433 1.82107 -45.58224 546.47973
5560.0000 -47.06203 -45.63211 1.42992 1.83608 -45.47162 509.38436
5565.0000 -46.80471 -45.46873 1.33599 1.82581 -45.54731 490.57412
5570.0000 -46.46055 -44.75187 1.70869 1.90297 -44.97877 566.25515
5575.0000 -46.74660 -45.32043 1.42617 1.89443 -45.04169 522.29204
5580.0000 -46.54017 -45.14046 1.39971 1.87369 -45.19456 536.16182
5585.0000 -46.79193 -45.47621 1.31572 1.85924 -45.30098 555.55305
5590.0000 -46.49142 -45.24786 1.24356 1.84115 -45.43429 569.80322
5595.0000 -46.68795 -45.63414 1.05381 1.84968 -45.37143 570.43805
5600.0000 -47.50204 -45.97225 1.52979 1.77553 -45.91777 451.49070
5605.0000 -47.09585 -45.73893 1.35692 1.78417 -45.85410 475.71951
5610.0000 -46.56756 -45.07168 1.49587 1.83508 -45.47901 549.22805
5615.0000 -46.56738 -44.86580 1.70159 1.89399 -45.04495 614.67982
5620.0000 -46.13748 -44.16236 1.97512 1.94934 -44.63711 664.85501
5625.0000 -46.89399 -45.14769 1.74630 1.92261 -44.83406 653.36869
5630.0000 -46.40430 -44.87713 1.52717 1.90929 -44.93224 625.66838
5635.0000 -47.00717 -45.95249 1.05468 1.81057 -45.65958 508.75624
5640.0000 -47.29071 -46.13437 1.15634 1.74138 -46.16944 426.59356
5645.0000 -47.00629 -45.87810 1.12818 1.77680 -45.90841 454.39678
5650.0000 -47.23669 -46.04424 1.19245 1.79630 -45.76474 497.70934
5655.0000 -46.84511 -45.54608 1.29902 1.78238 -45.86729 490.71301
5660.0000 -46.57570 -45.17269 1.40301 1.80570 -45.69548 504.24090
5665.0000 -46.79890 -45.61752 1.18138 1.83153 -45.50520 531.90676
5670.0000 -47.15420 -45.25342 1.90078 1.85408 -45.33902 569.11379
5675.0000 -46.79265 -45.49106 1.30159 1.84592 -45.39917 570.14735
5680.0000 -46.77032 -45.34040 1.42992 1.85128 -45.35962 581.80645
5685.0000 -46.68681 -44.71274 1.97406 1.89725 -45.02093 602.18482
5690.0000 -46.38013 -44.72012 1.66001 1.93744 -44.72481 628.17990
5695.0000 -46.32950 -45.16633 1.16317 1.94018 -44.70467 589.56716
5700.0000 -46.39265 -45.18988 1.20278 1.86102 -45.28786 528.71009
5705.0000 -46.69199 -45.52545 1.16654 1.82025 -45.58825 460.71072
5710.0000 -46.41750 -45.04213 1.37537 1.87564 -45.18016 510.69122
5715.0000 -47.15957 -45.53884 1.62073 1.88225 -45.13149 585.24079
5720.0000 -47.26340 -45.96799 1.29542 1.79805 -45.75184 489.58213
5725.0000 -46.67497 -45.35538 1.31959 1.80644 -45.69001 511.47299
5730.0000 -46.66995 -45.26018 1.40976 1.86886 -45.23012 566.57291
5735.0000 -46.27016 -44.95402 1.31614 1.90676 -44.95084 653.63556
5740.0000 -47.10425 -45.65240 1.45185 1.85267 -45.34943 584.62942
5745.0000 -46.52684 -45.48228 1.04456 1.82043 -45.58699 520.85388
5750.0000 -46.71563 -45.42611 1.28953 1.89178 -45.06126 624.91900
FREEZING PROCESS: loop number 24 T-loop= 528.00000000000000
main_MD> interactions number 24 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52824 1.87156 1.03817
force_rgl> df(natom) 1.53130 0.88447 -0.07233
5755.0000 -47.29128 -45.82721 1.46407 1.87012 -45.22085 576.79365
5760.0000 -47.19161 -46.07711 1.11450 1.76046 -46.02885 445.79000
5765.0000 -47.01715 -45.50107 1.51608 1.81003 -45.66358 514.91996
5770.0000 -47.21453 -45.64543 1.56909 1.84389 -45.41408 560.78450
5775.0000 -46.37709 -45.29807 1.07902 1.86594 -45.25166 595.26821
5780.0000 -46.76293 -45.43346 1.32947 1.86819 -45.23507 580.92625
5785.0000 -46.67628 -45.11098 1.56530 1.86623 -45.24948 594.27185
5790.0000 -46.68061 -45.41105 1.26956 1.84702 -45.39103 541.59963
5795.0000 -47.31364 -45.91723 1.39641 1.76986 -45.95957 482.16133
5800.0000 -46.84553 -45.78533 1.06020 1.80410 -45.70730 509.24640
5805.0000 -46.92497 -44.92934 1.99563 1.79408 -45.78114 495.88110
5810.0000 -46.60490 -44.95797 1.64693 1.89302 -45.05209 617.08955
5815.0000 -46.69151 -44.96905 1.72247 1.90641 -44.95347 600.07558
5820.0000 -46.48731 -45.04958 1.43773 1.89540 -45.03454 590.51367
5825.0000 -46.91228 -45.16795 1.74433 1.91051 -44.92323 642.05607
5830.0000 -46.89738 -45.18754 1.70984 1.86190 -45.28143 598.40277
5835.0000 -47.02751 -45.70402 1.32349 1.79729 -45.75745 500.99742
5840.0000 -46.89136 -45.38749 1.50386 1.85121 -45.36016 561.62788
5845.0000 -47.14409 -45.89906 1.24504 1.80175 -45.72463 477.41165
5850.0000 -47.06880 -45.99115 1.07765 1.77649 -45.91070 428.77196
5855.0000 -46.07310 -45.01724 1.05586 1.82989 -45.51724 478.98156
5860.0000 -46.30325 -45.25231 1.05094 1.90303 -44.97835 543.35392
5865.0000 -46.61037 -44.90731 1.70306 1.91591 -44.88348 527.21137
5870.0000 -46.15125 -44.49385 1.65740 1.92572 -44.81117 572.21024
5875.0000 -46.25597 -44.83556 1.42041 1.96727 -44.50502 651.16593
5880.0000 -46.66704 -45.29989 1.36714 1.88124 -45.13891 585.68122
5885.0000 -46.54789 -45.35574 1.19215 1.86273 -45.27527 524.86595
5890.0000 -47.10363 -45.71658 1.38705 1.84804 -45.38349 573.72854
5895.0000 -47.09524 -45.52789 1.56735 1.84268 -45.42299 557.15657
5900.0000 -46.82643 -45.82613 1.00030 1.76752 -45.97680 451.27722
5905.0000 -46.84177 -45.67832 1.16346 1.79960 -45.74043 495.95602
5910.0000 -46.92921 -45.00962 1.91959 1.87736 -45.16749 629.84013
5915.0000 -47.26261 -45.07091 2.19170 1.86389 -45.26676 604.36725
5920.0000 -47.13674 -45.74166 1.39508 1.81827 -45.60289 500.80111
5925.0000 -46.61352 -45.50618 1.10734 1.83573 -45.47423 537.40478
5930.0000 -46.73628 -45.30393 1.43235 1.86455 -45.26185 565.67737
5935.0000 -46.42299 -45.14675 1.27624 1.88447 -45.11509 569.14042
5940.0000 -47.19654 -45.73573 1.46082 1.82063 -45.58547 523.95239
5945.0000 -47.10875 -46.02020 1.08855 1.75685 -46.05539 447.82851
5950.0000 -46.58131 -45.16600 1.41532 1.81230 -45.64687 508.20202
5955.0000 -47.14259 -45.64603 1.49656 1.84131 -45.43311 549.28336
5960.0000 -47.00600 -45.83310 1.17290 1.81021 -45.66223 499.62710
5965.0000 -47.07532 -45.45316 1.62216 1.83286 -45.49539 558.99067
5970.0000 -46.54134 -45.06386 1.47749 1.84453 -45.40938 549.12081
5975.0000 -47.12154 -45.55227 1.56928 1.82174 -45.57729 520.47638
5980.0000 -46.78032 -45.25001 1.53031 1.81142 -45.65334 486.21740
5985.0000 -47.14530 -45.49895 1.64635 1.89539 -45.03462 628.60849
5990.0000 -46.50605 -44.50224 2.00381 1.90309 -44.97795 635.35240
5995.0000 -47.09613 -45.56651 1.52961 1.86634 -45.24870 586.12569
6000.0000 -47.03608 -45.67975 1.35633 1.83845 -45.45421 568.28745
FREEZING PROCESS: loop number 25 T-loop= 503.00000000000000
main_MD> interactions number 25 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11057 0.48512 -0.13371
force_rgl> df(natom) 3.71945 -0.42827 1.18598
6005.0000 -46.94374 -45.91388 1.02986 1.78438 -45.85257 485.25737
6010.0000 -46.46250 -45.26848 1.19402 1.82534 -45.55075 544.90950
6015.0000 -46.54827 -45.53821 1.01006 1.79167 -45.79887 490.92576
6020.0000 -47.24105 -45.90832 1.33273 1.80958 -45.66690 486.30712
6025.0000 -47.14612 -45.52815 1.61797 1.82845 -45.52789 530.11909
6030.0000 -46.98551 -45.75061 1.23489 1.81852 -45.60103 498.67756
6035.0000 -47.36176 -45.54158 1.82018 1.81147 -45.65296 522.09002
6040.0000 -47.40617 -46.00633 1.39984 1.77724 -45.90520 469.46196
6045.0000 -47.09093 -46.16847 0.92246 1.75067 -46.10099 439.07693
6050.0000 -47.10186 -46.14921 0.95265 1.73109 -46.24521 409.63328
6055.0000 -46.95450 -45.85682 1.09768 1.75666 -46.05680 438.94892
6060.0000 -46.91462 -45.29885 1.61577 1.82586 -45.54697 533.95973
6065.0000 -47.35859 -46.21288 1.14571 1.82878 -45.52541 531.52352
6070.0000 -47.27503 -45.89706 1.37797 1.71005 -46.40028 382.34934
6075.0000 -46.99768 -45.60123 1.39645 1.81160 -45.65205 524.82814
6080.0000 -47.15779 -46.12425 1.03354 1.78516 -45.84680 482.64602
6085.0000 -47.55875 -46.34097 1.21779 1.73355 -46.22707 411.03635
6090.0000 -46.91506 -46.14905 0.76601 1.72640 -46.27977 412.75463
6095.0000 -47.40563 -46.37108 1.03455 1.74780 -46.12210 437.20511
6100.0000 -47.11274 -45.84180 1.27094 1.73077 -46.24759 407.12042
6105.0000 -46.87751 -45.64186 1.23565 1.77889 -45.89302 471.55125
6110.0000 -47.00484 -45.93797 1.06686 1.79616 -45.76577 495.64290
6115.0000 -46.65153 -45.51496 1.13657 1.83703 -45.46466 517.35298
6120.0000 -46.51607 -45.48309 1.03298 1.83800 -45.45751 558.71491
6125.0000 -46.90026 -45.21569 1.68457 1.84974 -45.37096 555.21372
6130.0000 -47.25484 -45.60562 1.64923 1.87223 -45.20530 586.98060
6135.0000 -46.64068 -45.17441 1.46627 1.82321 -45.56651 504.59767
6140.0000 -46.69247 -45.66687 1.02561 1.82579 -45.54744 471.35904
6145.0000 -47.00441 -45.44772 1.55668 1.85197 -45.35454 496.62390
6150.0000 -46.79376 -45.33121 1.46255 1.81126 -45.65450 474.76066
6155.0000 -46.39542 -44.90803 1.48739 1.88549 -45.10762 543.34843
6160.0000 -46.38728 -45.10421 1.28307 1.89226 -45.05772 546.87193
6165.0000 -46.90758 -45.76170 1.14588 1.83783 -45.45874 498.92530
6170.0000 -47.06326 -45.75163 1.31162 1.78616 -45.83946 479.54314
6175.0000 -47.05392 -45.60146 1.45246 1.78746 -45.82988 492.78013
6180.0000 -47.35108 -45.39083 1.96025 1.85184 -45.35554 561.49047
6185.0000 -46.61465 -45.75345 0.86119 1.80860 -45.67412 502.92044
6190.0000 -46.67049 -45.59826 1.07223 1.85001 -45.36899 509.32740
6195.0000 -47.09280 -45.92671 1.16610 1.78076 -45.87926 425.87952
6200.0000 -46.54001 -45.75805 0.78196 1.79283 -45.79034 435.05989
6205.0000 -46.74669 -45.02942 1.71727 1.84566 -45.40105 491.50676
6210.0000 -46.61309 -45.66446 0.94863 1.84807 -45.38332 488.93113
6215.0000 -46.90207 -45.41499 1.48707 1.78071 -45.87962 419.06906
6220.0000 -47.01059 -45.72193 1.28867 1.81619 -45.61822 474.42099
6225.0000 -47.01039 -45.54269 1.46770 1.78942 -45.81543 449.26561
6230.0000 -47.12206 -45.76499 1.35707 1.80346 -45.71197 481.56192
6235.0000 -46.56163 -45.31569 1.24594 1.81707 -45.61175 516.48367
6240.0000 -46.65066 -45.60140 1.04926 1.81531 -45.62467 525.15250
6245.0000 -47.04158 -45.51824 1.52334 1.81721 -45.61065 526.22386
6250.0000 -47.01018 -46.03784 0.97234 1.83221 -45.50015 541.67881
FREEZING PROCESS: loop number 26 T-loop= 478.00000000000000
main_MD> interactions number 26 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.58087 2.32289 -2.70603
force_rgl> df(natom) -0.21729 1.15578 -0.10206
6255.0000 -47.03060 -46.28684 0.74376 1.74182 -46.16614 436.75427
6260.0000 -47.43572 -46.20178 1.23393 1.73117 -46.24463 405.77666
6265.0000 -47.22216 -45.81316 1.40900 1.77395 -45.92945 474.51832
6270.0000 -47.19493 -45.79300 1.40193 1.78799 -45.82596 492.82357
6275.0000 -46.66791 -45.07937 1.58854 1.83554 -45.47565 541.54129
6280.0000 -46.65831 -45.53573 1.12257 1.84136 -45.43272 508.38309
6285.0000 -47.30112 -45.56810 1.73302 1.85243 -45.35119 568.21669
6290.0000 -46.67227 -45.59010 1.08217 1.82004 -45.58982 533.45965
6295.0000 -47.11768 -46.15216 0.96552 1.78606 -45.84022 465.30943
6300.0000 -47.14661 -45.80993 1.33669 1.77441 -45.92601 470.91899
6305.0000 -46.32455 -45.22985 1.09470 1.82350 -45.56437 528.85784
6310.0000 -46.98115 -45.99826 0.98289 1.79648 -45.76339 493.07325
6315.0000 -47.42699 -46.30399 1.12300 1.72198 -46.31231 385.66932
6320.0000 -47.07476 -45.71294 1.36182 1.74555 -46.13866 435.90431
6325.0000 -47.18907 -45.68051 1.50856 1.78773 -45.82791 487.99632
6330.0000 -46.85648 -45.94149 0.91499 1.78336 -45.86012 480.94684
6335.0000 -46.96100 -45.54455 1.41645 1.79927 -45.74287 517.45224
6340.0000 -47.33914 -46.09338 1.24576 1.74988 -46.10676 432.39719
6345.0000 -46.99698 -45.98004 1.01694 1.76135 -46.02223 465.60062
6350.0000 -47.26307 -46.12940 1.13367 1.70469 -46.43976 376.42552
6355.0000 -47.26344 -46.27219 0.99125 1.74908 -46.11264 439.14704
6360.0000 -47.31429 -45.61730 1.69699 1.78266 -45.86524 472.89783
6365.0000 -46.93333 -45.88732 1.04601 1.79561 -45.76984 536.63847
6370.0000 -47.15121 -46.24865 0.90256 1.75325 -46.08192 443.87593
6375.0000 -47.25291 -46.32402 0.92889 1.72364 -46.30011 403.30918
6380.0000 -47.14678 -46.40828 0.73850 1.68393 -46.59273 353.17827
6385.0000 -46.93715 -46.09484 0.84231 1.74182 -46.16614 416.69535
6390.0000 -47.42892 -46.33806 1.09086 1.73659 -46.20466 407.71285
6395.0000 -47.24024 -45.86719 1.37304 1.75045 -46.10259 437.27833
6400.0000 -47.04390 -45.92263 1.12127 1.79461 -45.77719 507.44584
6405.0000 -47.21759 -45.71527 1.50231 1.82198 -45.57556 533.67317
6410.0000 -46.81650 -45.89511 0.92139 1.74846 -46.11727 437.98211
6415.0000 -47.26329 -46.06171 1.20158 1.77517 -45.92043 475.66634
6420.0000 -46.98901 -45.79370 1.19530 1.78757 -45.82905 471.92635
6425.0000 -47.04242 -45.35429 1.68812 1.84011 -45.44195 554.48614
6430.0000 -46.82158 -45.65612 1.16546 1.83367 -45.48937 527.33790
6435.0000 -47.33525 -45.80179 1.53346 1.79536 -45.77168 471.52702
6440.0000 -47.04658 -45.74958 1.29699 1.82845 -45.52787 527.03171
6445.0000 -47.23996 -46.24281 0.99715 1.76509 -45.99474 454.91697
6450.0000 -47.20159 -46.16027 1.04131 1.75834 -46.04443 448.43458
6455.0000 -47.17830 -45.72128 1.45703 1.74825 -46.11878 429.60462
6460.0000 -47.11100 -46.00277 1.10823 1.75986 -46.03322 434.33829
6465.0000 -46.75967 -45.67467 1.08501 1.79082 -45.80511 480.59946
6470.0000 -47.00500 -45.98056 1.02444 1.76282 -46.01146 444.91149
6475.0000 -46.85736 -45.80438 1.05298 1.82750 -45.53489 532.82230
6480.0000 -46.92364 -45.51221 1.41143 1.77930 -45.88998 475.53086
6485.0000 -47.09656 -45.66303 1.43353 1.80810 -45.67779 508.74454
6490.0000 -46.99195 -45.78572 1.20624 1.81838 -45.60204 555.99896
6495.0000 -47.08054 -45.76787 1.31267 1.82469 -45.55560 535.71517
6500.0000 -46.85843 -45.58858 1.26985 1.80486 -45.70165 507.71677
FREEZING PROCESS: loop number 27 T-loop= 453.00000000000000
main_MD> interactions number 27 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.13077 -0.09237 1.86122
force_rgl> df(natom) -1.39003 -0.35451 0.51376
6505.0000 -47.13507 -46.02873 1.10634 1.78609 -45.84001 475.30114
6510.0000 -46.94806 -45.73897 1.20910 1.78924 -45.81677 475.23476
6515.0000 -46.96170 -45.46030 1.50141 1.81786 -45.60588 526.03942
6520.0000 -47.07565 -45.89240 1.18325 1.80037 -45.73474 492.27952
6525.0000 -47.24902 -45.94797 1.30104 1.74292 -46.15803 418.78394
6530.0000 -47.53042 -46.48035 1.05007 1.72417 -46.29624 405.14373
6535.0000 -47.23111 -46.14997 1.08114 1.75119 -46.09715 437.20761
6540.0000 -47.38649 -46.22433 1.16216 1.72242 -46.30913 392.94201
6545.0000 -47.36420 -46.26327 1.10093 1.71852 -46.33781 393.19876
6550.0000 -47.26583 -46.24509 1.02074 1.73692 -46.20225 410.56937
6555.0000 -46.95044 -46.39236 0.55808 1.72842 -46.26491 402.65276
6560.0000 -47.23120 -46.10611 1.12509 1.72532 -46.28776 396.97654
6565.0000 -47.09521 -45.84698 1.24823 1.73908 -46.18636 433.90825
6570.0000 -47.46064 -45.78096 1.67969 1.77363 -45.93180 468.86445
6575.0000 -46.93359 -45.65310 1.28049 1.80923 -45.66950 511.01124
6580.0000 -47.23157 -45.61548 1.61609 1.76337 -46.00737 465.90487
6585.0000 -47.04360 -46.10268 0.94092 1.77944 -45.88900 477.70732
6590.0000 -47.32834 -46.32426 1.00408 1.75042 -46.10283 439.35625
6595.0000 -47.24081 -45.83861 1.40219 1.76023 -46.03048 434.74121
6600.0000 -47.29490 -46.19480 1.10010 1.69168 -46.53558 356.37939
6605.0000 -47.36836 -46.34445 1.02391 1.74309 -46.15682 423.19302
6610.0000 -47.55743 -46.21022 1.34722 1.74776 -46.12242 449.75656
6615.0000 -47.40243 -46.25410 1.14833 1.74691 -46.12866 438.18316
6620.0000 -46.98699 -45.59949 1.38750 1.76264 -46.01275 429.27397
6625.0000 -47.00104 -45.96542 1.03562 1.80644 -45.69004 511.49800
6630.0000 -47.18268 -46.06973 1.11295 1.74530 -46.14055 421.36112
6635.0000 -47.09301 -46.15460 0.93842 1.75766 -46.04948 451.12589
6640.0000 -46.93628 -45.58756 1.34872 1.73891 -46.18757 424.95055
6645.0000 -47.30033 -45.75605 1.54428 1.81769 -45.60716 532.28973
6650.0000 -47.31901 -46.28999 1.02903 1.75255 -46.08708 467.51908
6655.0000 -47.35107 -45.92037 1.43071 1.74446 -46.14672 434.60327
6660.0000 -46.95185 -45.73666 1.21519 1.78502 -45.84786 479.82248
6665.0000 -46.94071 -45.51793 1.42278 1.83502 -45.47943 527.51430
6670.0000 -46.92846 -45.95136 0.97711 1.78920 -45.81704 463.71196
6675.0000 -47.33023 -46.31712 1.01312 1.72143 -46.31639 391.18109
6680.0000 -47.12459 -46.00208 1.12251 1.74209 -46.16414 437.67492
6685.0000 -47.11295 -45.78268 1.33027 1.76501 -45.99526 470.70339
6690.0000 -46.83343 -45.50546 1.32798 1.80958 -45.66689 527.30583
6695.0000 -47.04295 -45.75503 1.28792 1.81848 -45.60131 541.38942
6700.0000 -46.71289 -45.60750 1.10539 1.81321 -45.64013 528.39248
6705.0000 -47.12647 -45.63139 1.49508 1.79668 -45.76192 507.65385
6710.0000 -47.11288 -45.73730 1.37558 1.79250 -45.79271 509.34933
6715.0000 -47.12159 -45.85074 1.27085 1.78600 -45.84061 469.72355
6720.0000 -47.13004 -46.37452 0.75552 1.75828 -46.04488 450.89229
6725.0000 -47.41014 -46.35723 1.05291 1.70865 -46.41053 386.53606
6730.0000 -47.00103 -45.55252 1.44851 1.78017 -45.88357 461.49275
6735.0000 -46.73114 -45.51911 1.21203 1.85149 -45.35809 535.35698
6740.0000 -47.20143 -45.82165 1.37978 1.81224 -45.64729 522.96848
6745.0000 -47.03754 -45.79960 1.23793 1.77371 -45.93122 466.98555
6750.0000 -46.79836 -45.51858 1.27978 1.78228 -45.86803 468.42338
FREEZING PROCESS: loop number 28 T-loop= 428.00000000000000
main_MD> interactions number 28 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97943 -1.47343 0.24473
force_rgl> df(natom) -0.50211 -1.46507 0.61619
6755.0000 -46.99410 -45.67525 1.31885 1.80979 -45.66534 455.05935
6760.0000 -47.31230 -46.47429 0.83801 1.74787 -46.12162 380.53180
6765.0000 -46.73579 -45.41386 1.32194 1.76797 -45.97347 408.95262
6770.0000 -47.10384 -45.87936 1.22448 1.85409 -45.33891 512.36269
6775.0000 -47.10893 -45.68157 1.42736 1.82150 -45.57905 481.61816
6780.0000 -47.55180 -46.38036 1.17144 1.70482 -46.43876 361.57948
6785.0000 -47.13738 -46.09367 1.04371 1.72920 -46.25917 398.97690
6790.0000 -47.49972 -45.68253 1.81719 1.79863 -45.74756 491.22445
6795.0000 -46.84749 -45.80472 1.04276 1.82652 -45.54210 535.01074
6800.0000 -47.65539 -46.74771 0.90768 1.72165 -46.31478 406.25667
6805.0000 -47.48220 -46.38267 1.09952 1.68492 -46.58538 374.50801
6810.0000 -47.36297 -46.28901 1.07395 1.70900 -46.40797 392.31478
6815.0000 -47.41228 -46.20789 1.20440 1.74752 -46.12418 439.26244
6820.0000 -47.23975 -45.99548 1.24427 1.77091 -45.95184 474.53281
6825.0000 -47.16661 -46.03876 1.12786 1.71641 -46.35337 405.09886
6830.0000 -47.12716 -46.16523 0.96193 1.74908 -46.11270 440.55270
6835.0000 -47.18276 -45.96353 1.21923 1.74309 -46.15679 445.38239
6840.0000 -47.08275 -45.94312 1.13963 1.77660 -45.90986 468.77522
6845.0000 -47.36223 -46.22396 1.13826 1.78992 -45.81178 487.12308
6850.0000 -47.03780 -46.14960 0.88819 1.74243 -46.16170 427.20771
6855.0000 -46.97739 -46.00954 0.96785 1.77571 -45.91649 460.78257
6860.0000 -46.87988 -45.37149 1.50840 1.80453 -45.70410 443.01277
6865.0000 -46.68330 -45.17533 1.50797 1.86471 -45.26068 581.66956
6870.0000 -46.97857 -45.89264 1.08593 1.81185 -45.65015 528.05765
6875.0000 -47.20092 -45.96306 1.23785 1.76905 -45.96553 457.83783
6880.0000 -47.51076 -46.04905 1.46171 1.77788 -45.90046 476.03461
6885.0000 -46.98261 -45.91858 1.06403 1.74289 -46.15827 417.68143
6890.0000 -47.21287 -45.94960 1.26327 1.77863 -45.89497 477.92501
6895.0000 -46.92265 -45.70172 1.22093 1.78649 -45.83705 502.18616
6900.0000 -47.01776 -45.90438 1.11338 1.76737 -45.97788 448.87895
6905.0000 -46.97838 -45.80918 1.16920 1.78008 -45.88423 478.00570
6910.0000 -47.58552 -46.74083 0.84469 1.72199 -46.31228 408.27934
6915.0000 -46.80396 -46.17251 0.63145 1.70876 -46.40978 384.77106
6920.0000 -47.15815 -46.30194 0.85622 1.73644 -46.20579 405.08273
6925.0000 -47.45779 -46.24088 1.21691 1.74306 -46.15704 421.08880
6930.0000 -47.06414 -46.27966 0.78448 1.70949 -46.40435 392.94971
6935.0000 -46.96277 -45.42586 1.53690 1.81865 -45.60008 510.04772
6940.0000 -47.35513 -46.13499 1.22015 1.79140 -45.80087 499.57988
6945.0000 -47.42480 -46.28053 1.14428 1.72669 -46.27766 420.48160
6950.0000 -47.00883 -45.41234 1.59649 1.75157 -46.09429 432.06342
6955.0000 -47.00792 -45.41849 1.58943 1.82982 -45.51777 550.96120
6960.0000 -46.84693 -45.67536 1.17157 1.80850 -45.67484 522.80289
6965.0000 -47.02080 -45.99106 1.02973 1.77482 -45.92304 465.83216
6970.0000 -47.30196 -46.17676 1.12521 1.76454 -45.99872 444.71252
6975.0000 -47.32808 -45.87908 1.44900 1.74283 -46.15873 423.11568
6980.0000 -47.27132 -46.17318 1.09814 1.78227 -45.86813 478.35701
6985.0000 -47.51503 -46.26946 1.24557 1.73272 -46.23322 412.28806
6990.0000 -47.23541 -46.22694 1.00847 1.73145 -46.24257 409.00811
6995.0000 -47.28870 -46.42207 0.86663 1.73326 -46.22923 389.11904
7000.0000 -47.28065 -45.67641 1.60424 1.77561 -45.91723 448.03759
FREEZING PROCESS: loop number 29 T-loop= 403.00000000000000
main_MD> interactions number 29 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37574 2.02626 -0.16732
force_rgl> df(natom) -1.00379 -2.86489 1.02823
7005.0000 -47.18443 -46.25883 0.92560 1.71816 -46.34046 395.02974
7010.0000 -47.25999 -45.86693 1.39305 1.75953 -46.03566 463.80028
7015.0000 -47.61028 -46.00603 1.60425 1.77657 -45.91013 468.97570
7020.0000 -47.46719 -46.48587 0.98131 1.74203 -46.16462 442.57333
7025.0000 -47.07278 -46.11474 0.95804 1.72217 -46.31091 400.95575
7030.0000 -47.09476 -46.31134 0.78342 1.74305 -46.15706 417.75609
7035.0000 -47.26490 -46.28264 0.98227 1.72663 -46.27807 396.89156
7040.0000 -47.46662 -46.52287 0.94375 1.72452 -46.29359 404.22074
7045.0000 -47.37120 -46.30572 1.06547 1.71040 -46.39763 368.38086
7050.0000 -47.17558 -46.12689 1.04868 1.75060 -46.10149 428.41338
7055.0000 -47.41940 -46.17148 1.24791 1.72939 -46.25773 416.79514
7060.0000 -47.58267 -46.18980 1.39287 1.74871 -46.11542 438.02733
7065.0000 -47.02372 -46.13835 0.88537 1.71538 -46.36095 372.70834
7070.0000 -47.34788 -46.54421 0.80367 1.72346 -46.30143 385.96569
7075.0000 -47.43053 -46.42786 1.00267 1.69508 -46.51058 366.64906
7080.0000 -47.20889 -46.05645 1.15244 1.73877 -46.18865 434.48913
7085.0000 -47.54661 -46.22543 1.32118 1.69904 -46.48136 371.03655
7090.0000 -47.15515 -45.86185 1.29330 1.72819 -46.26655 401.67210
7095.0000 -47.34618 -46.32608 1.02010 1.77428 -45.92700 448.06916
7100.0000 -46.88328 -46.08945 0.79383 1.73479 -46.21797 385.88520
7105.0000 -47.59026 -46.52411 1.06614 1.74168 -46.16717 397.27028
7110.0000 -47.16765 -46.00709 1.16056 1.72122 -46.31795 414.86707
7115.0000 -47.39405 -46.47096 0.92309 1.73223 -46.23685 432.48328
7120.0000 -47.33057 -46.46550 0.86508 1.70546 -46.43406 373.08584
7125.0000 -47.69406 -46.47456 1.21950 1.70467 -46.43989 364.43874
7130.0000 -47.54761 -46.75234 0.79526 1.70299 -46.45228 370.94519
7135.0000 -47.60518 -46.74344 0.86174 1.66146 -46.75828 315.98862
7140.0000 -47.59676 -46.20304 1.39371 1.66151 -46.75790 322.05715
7145.0000 -46.72855 -46.01696 0.71159 1.74432 -46.14774 419.70130
7150.0000 -47.11534 -45.97156 1.14379 1.74206 -46.16439 430.19148
7155.0000 -47.44900 -46.31502 1.13398 1.74570 -46.13757 424.05713
7160.0000 -47.29389 -46.10525 1.18864 1.73331 -46.22883 419.82157
7165.0000 -47.26936 -46.28720 0.98216 1.70753 -46.41880 376.18492
7170.0000 -47.42866 -46.57326 0.85540 1.70827 -46.41339 359.08365
7175.0000 -47.36928 -46.56825 0.80103 1.70236 -46.45691 363.94202
7180.0000 -47.07107 -45.97500 1.09608 1.72065 -46.32213 385.13653
7185.0000 -47.24587 -46.25150 0.99437 1.74878 -46.11488 415.24381
7190.0000 -47.41243 -46.31947 1.09296 1.74068 -46.17459 411.92877
7195.0000 -47.34984 -46.45467 0.89517 1.72436 -46.29479 391.47405
7200.0000 -47.05614 -46.24269 0.81345 1.71079 -46.39476 386.07304
7205.0000 -47.38251 -46.51453 0.86798 1.71157 -46.38904 382.67880
7210.0000 -47.38276 -46.46288 0.91988 1.69780 -46.49054 370.50754
7215.0000 -47.44536 -46.46266 0.98270 1.70704 -46.42241 371.06452
7220.0000 -47.54124 -46.40969 1.13155 1.70390 -46.44557 368.85653
7225.0000 -47.47084 -46.62539 0.84545 1.69541 -46.50809 367.74401
7230.0000 -47.09571 -46.21399 0.88172 1.68262 -46.60237 347.93886
7235.0000 -47.06491 -45.52571 1.53920 1.78950 -45.81484 482.99308
7240.0000 -47.10620 -46.26153 0.84467 1.78157 -45.87328 458.94690
7245.0000 -47.51708 -46.48480 1.03229 1.72292 -46.30542 398.68394
7250.0000 -46.87389 -46.01429 0.85959 1.73249 -46.23492 429.28102
FREEZING PROCESS: loop number 30 T-loop= 378.00000000000000
main_MD> interactions number 30 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75455 1.95846 -0.92479
force_rgl> df(natom) -3.66402 0.89914 -1.54233
7255.0000 -47.14771 -46.07324 1.07446 1.75851 -46.04315 439.73606
7260.0000 -47.25333 -46.35819 0.89514 1.73209 -46.23784 404.66637
7265.0000 -47.23380 -46.15532 1.07847 1.70933 -46.40554 379.40356
7270.0000 -47.26115 -46.40684 0.85431 1.72799 -46.26809 384.45083
7275.0000 -47.64586 -46.53371 1.11216 1.69811 -46.48822 355.49442
7280.0000 -47.41718 -46.74919 0.66799 1.67725 -46.64191 346.29279
7285.0000 -47.27709 -46.23113 1.04596 1.72492 -46.29066 406.98891
7290.0000 -47.31694 -46.31154 1.00540 1.72525 -46.28822 399.93041
7295.0000 -47.44174 -46.52802 0.91372 1.71429 -46.36899 389.90438
7300.0000 -47.36874 -46.40059 0.96815 1.70612 -46.42920 385.89147
7305.0000 -47.44273 -46.57147 0.87126 1.70387 -46.44580 369.96312
7310.0000 -47.32332 -46.44793 0.87539 1.68044 -46.61842 327.63736
7315.0000 -47.56791 -46.52046 1.04745 1.69237 -46.53048 361.80218
7320.0000 -47.22885 -46.35880 0.87005 1.69747 -46.49291 364.21104
7325.0000 -47.52283 -46.52758 0.99524 1.70353 -46.44828 369.26953
7330.0000 -47.56012 -46.48393 1.07619 1.70393 -46.44532 368.80767
7335.0000 -47.38698 -46.48864 0.89834 1.70032 -46.47194 361.99301
7340.0000 -47.16634 -46.31816 0.84817 1.71020 -46.39911 389.87121
7345.0000 -47.32545 -46.49705 0.82840 1.72798 -46.26812 403.88779
7350.0000 -47.56306 -46.76250 0.80056 1.66272 -46.74900 327.54451
7355.0000 -47.59841 -46.60197 0.99644 1.69282 -46.52720 364.87382
7360.0000 -47.35501 -46.20321 1.15180 1.73908 -46.18634 438.48654
7365.0000 -47.37444 -46.42247 0.95197 1.71732 -46.34671 398.66813
7370.0000 -47.39618 -46.18344 1.21274 1.72805 -46.26764 413.71147
7375.0000 -47.49355 -46.44415 1.04940 1.73535 -46.21382 413.60091
7380.0000 -47.33714 -46.65100 0.68614 1.67555 -46.65448 324.40424
7385.0000 -47.20160 -46.06947 1.13212 1.70604 -46.42978 370.83155
7390.0000 -47.00371 -46.02074 0.98297 1.72980 -46.25472 378.88362
7395.0000 -47.36336 -46.52767 0.83569 1.73511 -46.21561 411.26563
7400.0000 -47.38200 -46.52349 0.85851 1.71697 -46.34925 380.69662
7405.0000 -47.49968 -46.29097 1.20871 1.72843 -46.26480 417.13769
7410.0000 -47.05462 -46.32658 0.72804 1.72172 -46.31423 396.24491
7415.0000 -47.38073 -46.25961 1.12112 1.72493 -46.29057 411.92662
7420.0000 -46.96670 -45.66791 1.29879 1.77026 -45.95660 470.24167
7425.0000 -47.61563 -46.30008 1.31555 1.74532 -46.14034 427.45826
7430.0000 -47.66150 -46.36367 1.29783 1.73100 -46.24588 398.90101
7435.0000 -47.49766 -46.66688 0.83077 1.69337 -46.52312 352.97953
7440.0000 -47.65835 -47.02351 0.63484 1.64647 -46.86871 292.28987
7445.0000 -47.17093 -46.22135 0.94959 1.69653 -46.49986 359.04520
7450.0000 -47.34814 -46.34630 1.00184 1.71942 -46.33117 389.00751
7455.0000 -47.28071 -46.43323 0.84747 1.71780 -46.34318 390.73220
7460.0000 -47.76485 -46.71176 1.05309 1.70598 -46.43020 368.29542
7465.0000 -47.34582 -46.55034 0.79548 1.67641 -46.64813 335.74530
7470.0000 -47.40252 -46.26959 1.13293 1.70319 -46.45082 367.03243
7475.0000 -47.03818 -46.03614 1.00204 1.77480 -45.92319 464.64395
7480.0000 -47.17398 -45.93192 1.24206 1.76925 -45.96406 468.55618
7485.0000 -47.52618 -46.52411 1.00207 1.69947 -46.47819 369.78922
7490.0000 -47.34580 -46.46470 0.88110 1.68362 -46.59497 351.17440
7495.0000 -47.64831 -46.69285 0.95546 1.68517 -46.58357 340.98324
7500.0000 -47.59676 -46.51536 1.08140 1.68411 -46.59137 349.41260
FREEZING PROCESS: loop number 31 T-loop= 353.00000000000000
main_MD> interactions number 31 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35696 1.29109 1.65432
force_rgl> df(natom) 1.48789 1.12709 -0.30382
7505.0000 -47.41517 -46.36610 1.04906 1.71565 -46.35898 394.03571
7510.0000 -47.69556 -46.64514 1.05042 1.67954 -46.62507 345.34740
7515.0000 -47.39416 -46.49950 0.89466 1.67475 -46.66031 352.31919
7520.0000 -47.43831 -46.46477 0.97354 1.69597 -46.50402 361.06969
7525.0000 -47.50001 -46.38976 1.11025 1.71950 -46.33064 389.61433
7530.0000 -47.51760 -46.81025 0.70735 1.70530 -46.43526 359.68531
7535.0000 -47.44278 -46.63464 0.80815 1.66596 -46.72509 318.51272
7540.0000 -47.56462 -46.36423 1.20038 1.71042 -46.39749 382.88394
7545.0000 -46.95649 -46.03037 0.92613 1.72175 -46.31401 400.98234
7550.0000 -47.62178 -46.61658 1.00520 1.73164 -46.24118 427.66740
7555.0000 -47.28896 -46.00214 1.28682 1.70265 -46.45476 382.60102
7560.0000 -47.21992 -46.31331 0.90662 1.71369 -46.37342 375.10195
7565.0000 -47.72347 -46.87822 0.84525 1.67832 -46.63403 343.15717
7570.0000 -47.69783 -46.64232 1.05551 1.66433 -46.73714 329.20920
7575.0000 -47.35165 -46.51489 0.83677 1.66976 -46.69708 334.19239
7580.0000 -47.28977 -46.35066 0.93911 1.70220 -46.45812 365.12981
7585.0000 -47.31631 -46.09387 1.22244 1.72521 -46.28853 401.65701
7590.0000 -47.25167 -46.30371 0.94795 1.72269 -46.30710 390.20607
7595.0000 -47.53608 -46.53716 0.99892 1.73745 -46.19835 416.19210
7600.0000 -47.38680 -46.31542 1.07138 1.70633 -46.42763 372.47734
7605.0000 -47.26704 -46.31159 0.95545 1.71644 -46.35315 387.29570
7610.0000 -47.36623 -46.59536 0.77086 1.68086 -46.61529 302.80111
7615.0000 -47.62000 -46.60375 1.01625 1.68397 -46.59237 327.69607
7620.0000 -47.51176 -46.59866 0.91311 1.66951 -46.69895 332.73203
7625.0000 -47.50227 -46.39379 1.10848 1.71639 -46.35355 402.59780
7630.0000 -47.48484 -46.58736 0.89749 1.70081 -46.46830 388.92581
7635.0000 -47.55271 -46.84628 0.70643 1.65223 -46.82625 303.53924
7640.0000 -47.28814 -46.43155 0.85658 1.66939 -46.69981 311.70488
7645.0000 -47.27114 -46.44158 0.82956 1.70930 -46.40577 380.99249
7650.0000 -47.45114 -46.40476 1.04637 1.66593 -46.72535 319.59055
7655.0000 -47.55383 -46.43337 1.12046 1.68161 -46.60977 339.46924
7660.0000 -47.64948 -46.63445 1.01503 1.70359 -46.44787 376.46404
7665.0000 -47.20743 -46.29631 0.91112 1.68019 -46.62026 337.07616
7670.0000 -47.24773 -46.04780 1.19993 1.73539 -46.21354 406.40429
7675.0000 -47.35742 -46.30957 1.04785 1.74967 -46.10830 444.44887
7680.0000 -47.36708 -46.31059 1.05648 1.73325 -46.22929 415.18008
7685.0000 -47.17116 -46.47622 0.69494 1.70465 -46.44005 372.41652
7690.0000 -47.42795 -46.71467 0.71327 1.68254 -46.60292 334.14960
7695.0000 -47.66249 -46.57702 1.08548 1.68640 -46.57450 342.91818
7700.0000 -46.94453 -46.11970 0.82483 1.71955 -46.33026 393.99344
7705.0000 -47.47645 -46.44816 1.02829 1.73334 -46.22867 411.60416
7710.0000 -47.64405 -46.83077 0.81327 1.67663 -46.64649 331.87225
7715.0000 -47.46872 -46.56739 0.90132 1.65696 -46.79142 296.06579
7720.0000 -47.48531 -46.56416 0.92114 1.68640 -46.57447 325.93314
7725.0000 -47.58649 -46.70192 0.88457 1.66630 -46.72258 299.94153
7730.0000 -47.46187 -46.81077 0.65110 1.70455 -46.44080 378.13199
7735.0000 -47.34300 -46.28736 1.05564 1.70213 -46.45861 369.69125
7740.0000 -47.61447 -46.83764 0.77683 1.67240 -46.67762 331.61026
7745.0000 -47.68608 -46.72313 0.96295 1.65342 -46.81751 306.10954
7750.0000 -47.36522 -46.66286 0.70236 1.67621 -46.64956 339.54982
FREEZING PROCESS: loop number 32 T-loop= 328.00000000000000
main_MD> interactions number 32 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49411 -2.50409 -0.30472
force_rgl> df(natom) -3.27498 -1.23061 -1.12713
7755.0000 -47.41828 -46.42762 0.99066 1.70813 -46.41439 391.13692
7760.0000 -47.22189 -46.46461 0.75728 1.69744 -46.49314 374.40139
7765.0000 -47.34939 -46.64941 0.69998 1.68929 -46.55319 349.54193
7770.0000 -47.46663 -46.67923 0.78740 1.69633 -46.50136 365.40496
7775.0000 -47.54897 -46.88495 0.66402 1.65457 -46.80905 307.43981
7780.0000 -47.41061 -46.68279 0.72782 1.67150 -46.68428 321.73393
7785.0000 -47.48880 -46.61147 0.87733 1.67471 -46.66063 340.84327
7790.0000 -47.64635 -46.88438 0.76197 1.65851 -46.77997 319.17117
7795.0000 -47.63913 -46.75720 0.88193 1.65320 -46.81914 299.93517
7800.0000 -47.60958 -46.88383 0.72575 1.66161 -46.75718 304.62454
7805.0000 -47.57069 -46.23491 1.33578 1.68944 -46.55206 363.46998
7810.0000 -47.37993 -46.38699 0.99294 1.75070 -46.10071 427.58853
7815.0000 -47.43765 -46.45249 0.98517 1.68323 -46.59788 339.34329
7820.0000 -47.59796 -46.77490 0.82306 1.68765 -46.56531 342.19886
7825.0000 -47.67740 -46.85035 0.82705 1.65587 -46.79945 303.10360
7830.0000 -47.80600 -47.12348 0.68251 1.64175 -46.90352 290.41161
7835.0000 -47.74360 -46.99887 0.74473 1.62829 -47.00265 270.64675
7840.0000 -47.82292 -47.02980 0.79312 1.62553 -47.02303 254.41096
7845.0000 -47.58897 -46.78697 0.80200 1.64530 -46.87729 272.33784
7850.0000 -47.47962 -46.57593 0.90369 1.65619 -46.79710 294.67411
7855.0000 -47.49192 -46.71675 0.77516 1.66813 -46.70913 341.88253
7860.0000 -47.45861 -46.70659 0.75202 1.68554 -46.58080 363.23085
7865.0000 -47.54337 -46.77123 0.77214 1.65847 -46.78031 313.91193
7870.0000 -47.48649 -46.81235 0.67414 1.65339 -46.81775 300.02773
7875.0000 -47.60489 -46.41230 1.19259 1.68148 -46.61071 350.94458
7880.0000 -47.43412 -46.54533 0.88879 1.70159 -46.46257 361.09167
7885.0000 -47.74760 -46.98154 0.76606 1.67166 -46.68307 330.34057
7890.0000 -47.64487 -46.89135 0.75352 1.65991 -46.76970 321.99831
7895.0000 -47.61237 -46.70708 0.90529 1.65364 -46.81588 314.07136
7900.0000 -47.47772 -46.71872 0.75899 1.67179 -46.68215 320.79567
7905.0000 -47.73300 -47.02894 0.70406 1.64211 -46.90086 297.33148
7910.0000 -47.48165 -46.58814 0.89351 1.64840 -46.85445 308.59500
7915.0000 -47.17437 -46.40835 0.76602 1.71573 -46.35839 431.01501
7920.0000 -47.45501 -46.61713 0.83787 1.69604 -46.50345 356.83865
7925.0000 -47.43072 -46.67796 0.75276 1.66362 -46.74234 315.74706
7930.0000 -47.48883 -46.77115 0.71768 1.65459 -46.80888 304.03840
7935.0000 -47.57165 -46.76327 0.80838 1.65425 -46.81137 302.35105
7940.0000 -47.41502 -46.81226 0.60276 1.63594 -46.94626 277.25389
7945.0000 -47.49800 -46.66495 0.83305 1.64097 -46.90923 295.39891
7950.0000 -47.50640 -46.48634 1.02007 1.69362 -46.52133 359.87500
7955.0000 -47.77877 -46.82083 0.95795 1.65886 -46.77741 319.05465
7960.0000 -47.78334 -46.84313 0.94022 1.64097 -46.90922 294.58708
7965.0000 -47.76522 -46.83348 0.93174 1.64444 -46.88368 306.18918
7970.0000 -47.70294 -46.85901 0.84392 1.65234 -46.82549 316.82331
7975.0000 -47.66246 -46.99417 0.66829 1.65258 -46.82366 321.82592
7980.0000 -47.63233 -46.88634 0.74598 1.62920 -46.99592 275.04969
7985.0000 -47.52013 -46.65879 0.86133 1.67881 -46.63046 342.15242
7990.0000 -47.56392 -46.51788 1.04604 1.66047 -46.76553 321.38604
7995.0000 -47.26427 -46.12123 1.14304 1.72506 -46.28964 411.74120
8000.0000 -47.64242 -46.67508 0.96734 1.71221 -46.38430 406.51557
FREEZING PROCESS: loop number 33 T-loop= 303.00000000000000
main_MD> interactions number 33 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51407 -2.11916 1.23020
force_rgl> df(natom) -1.01650 0.88297 -0.40034
8005.0000 -47.75549 -46.91352 0.84197 1.63149 -46.97906 285.12600
8010.0000 -47.91905 -46.94932 0.96973 1.63056 -46.98594 267.27884
8015.0000 -47.67145 -47.14441 0.52704 1.61092 -47.13068 254.34783
8020.0000 -47.77702 -46.94220 0.83482 1.63049 -46.98645 276.51731
8025.0000 -47.42909 -46.76713 0.66196 1.65772 -46.78582 322.67115
8030.0000 -47.66880 -47.03817 0.63063 1.63526 -46.95128 292.71571
8035.0000 -47.56230 -46.84554 0.71676 1.64345 -46.89093 297.87404
8040.0000 -47.46822 -46.61882 0.84940 1.68589 -46.57825 350.70239
8045.0000 -47.66316 -46.93080 0.73236 1.65804 -46.78348 307.34610
8050.0000 -47.62547 -46.66599 0.95949 1.65739 -46.78821 309.60172
8055.0000 -47.56559 -46.65444 0.91116 1.66311 -46.74609 310.07671
8060.0000 -47.56233 -46.60234 0.96000 1.68606 -46.57700 342.25836
8065.0000 -47.45301 -46.44997 1.00304 1.69385 -46.51959 353.62926
8070.0000 -47.20814 -46.49534 0.71281 1.69607 -46.50326 373.74813
8075.0000 -47.69864 -46.94994 0.74870 1.64814 -46.85642 305.07920
8080.0000 -47.78635 -47.16257 0.62379 1.61387 -47.10893 263.80164
8085.0000 -47.73181 -47.09811 0.63370 1.62262 -47.04444 268.55549
8090.0000 -47.74706 -46.80910 0.93796 1.62909 -46.99677 275.46497
8095.0000 -47.48095 -46.46694 1.01400 1.68911 -46.55450 350.21809
8100.0000 -47.45583 -46.66037 0.79546 1.68996 -46.54825 357.99066
8105.0000 -47.77483 -46.92883 0.84600 1.65026 -46.84080 294.73342
8110.0000 -47.58255 -46.87713 0.70542 1.62953 -46.99351 267.93297
8115.0000 -47.83113 -47.13123 0.69990 1.63365 -46.96318 271.17782
8120.0000 -47.49057 -46.85155 0.63902 1.63741 -46.93546 283.32455
8125.0000 -47.53890 -46.86121 0.67769 1.62922 -46.99580 275.12431
8130.0000 -47.48703 -46.73857 0.74846 1.65826 -46.78187 309.83241
8135.0000 -47.46903 -46.70230 0.76673 1.64836 -46.85479 288.68289
8140.0000 -47.48165 -46.46253 1.01912 1.67810 -46.63568 341.39899
8145.0000 -47.13290 -46.41204 0.72086 1.72261 -46.30771 406.08830
8150.0000 -47.84121 -46.92059 0.92062 1.66672 -46.71949 334.04638
8155.0000 -47.70346 -47.09443 0.60902 1.64167 -46.90404 293.87266
8160.0000 -47.72459 -46.88776 0.83683 1.64026 -46.91447 285.32883
8165.0000 -47.71064 -46.79147 0.91917 1.67404 -46.66555 339.76966
8170.0000 -47.62977 -46.85084 0.77893 1.65835 -46.78114 317.41630
8175.0000 -47.55255 -46.74029 0.81226 1.64066 -46.91153 296.16688
8180.0000 -47.64590 -46.70500 0.94090 1.67247 -46.67711 338.12693
8185.0000 -47.55319 -46.85937 0.69383 1.66498 -46.73234 323.16090
8190.0000 -47.64401 -46.89504 0.74897 1.64969 -46.84500 320.90752
8195.0000 -47.47718 -46.78487 0.69230 1.64676 -46.86656 286.52315
8200.0000 -47.69115 -46.97386 0.71729 1.64669 -46.86706 286.00823
8205.0000 -47.61036 -46.99328 0.61708 1.61867 -47.07352 263.85121
8210.0000 -47.64547 -46.79937 0.84610 1.63423 -46.95886 282.26138
8215.0000 -47.66274 -46.94481 0.71792 1.63540 -46.95030 281.57770
8220.0000 -47.79045 -47.11939 0.67106 1.61416 -47.10675 244.30655
8225.0000 -47.57658 -46.80337 0.77321 1.62609 -47.01888 267.86832
8230.0000 -47.53810 -46.85062 0.68747 1.64859 -46.85308 293.12990
8235.0000 -47.78690 -46.85915 0.92775 1.62407 -47.03378 266.32061
8240.0000 -47.29623 -46.51675 0.77949 1.65998 -46.76913 315.32717
8245.0000 -47.49416 -46.67562 0.81854 1.69864 -46.48431 368.07469
8250.0000 -47.34109 -46.60122 0.73986 1.68322 -46.59795 331.63262
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 50.4361748 [s].
main_MD> Deallocating global variables
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