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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_48/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_48.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 = 48 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 48 4800
main_MD> Size of nv and nvoiz: 48 4800
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 = 48
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> -2.0063130891128839E-002 -1.2212685546787819E-002 -1.8621404329330460E-002 initial drift of cluster / NP1 for coalescence
init> 0.30435104968986321 0.30959831231719942 0.29764809298004619 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7623725459577460E-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) -7.58266 -3.59796 2.78514
force_rgl> df(natom) 4.73186 -6.07305 1.86375
preparo> THERMALIZATION PROCESS AT 1220.3540340777101
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -101.65274422387557 7.0246100823713027 -108.67735430624687 6.5744674169486363E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1203.0000000000000
main_MD> interactions number 1 at Temperature= 1203.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45886 1.13985 0.27903
force_rgl> df(natom) -0.28420 -4.27493 -2.80541
5.0000 -109.31247 -102.09262 7.21984 3.06167 -101.16239 1341.31682
10.0000 -109.20400 -100.95030 8.25370 2.92735 -102.93636 1207.29856
15.0000 -109.44078 -101.43833 8.00245 2.99912 -101.98845 1247.68851
20.0000 -110.58673 -102.62657 7.96016 2.95926 -102.51489 1281.05586
25.0000 -111.27193 -103.66107 7.61086 2.94813 -102.66189 1241.83106
30.0000 -109.89220 -102.42116 7.47105 2.98546 -102.16891 1284.35361
35.0000 -110.08082 -103.81540 6.26542 2.97312 -102.33192 1253.77382
40.0000 -110.71010 -104.88005 5.83005 2.85593 -103.87968 1127.21021
45.0000 -111.39644 -103.39346 8.00298 2.83267 -104.18690 1131.70366
50.0000 -112.22252 -104.04717 8.17535 2.87005 -103.69324 1194.98671
55.0000 -111.38291 -103.16972 8.21319 2.92324 -102.99064 1183.68820
60.0000 -108.89012 -102.32580 6.56433 2.97804 -102.26688 1190.11107
65.0000 -109.48720 -102.21354 7.27366 3.00793 -101.87218 1281.18396
70.0000 -111.09461 -103.80660 7.28801 2.92282 -102.99619 1236.75852
75.0000 -112.08588 -105.79883 6.28705 2.79583 -104.67351 1113.07475
80.0000 -112.85955 -105.20523 7.65432 2.74349 -105.36473 1077.30382
85.0000 -112.32382 -104.71864 7.60518 2.78446 -104.82365 1155.07634
90.0000 -110.43496 -102.47784 7.95712 2.93445 -102.84264 1203.69647
95.0000 -112.50352 -105.22730 7.27621 2.83726 -104.12635 1121.84219
100.0000 -111.20330 -102.23043 8.97287 2.92699 -102.94112 1252.76986
105.0000 -110.01480 -102.54844 7.46636 2.96632 -102.42171 1287.73135
110.0000 -111.45814 -104.39104 7.06709 2.81627 -104.40355 1174.40755
115.0000 -111.76246 -105.19799 6.56447 2.74849 -105.29875 1092.32314
120.0000 -110.65356 -102.03343 8.62013 2.92978 -102.90432 1238.14394
125.0000 -111.31170 -103.75175 7.55995 2.93735 -102.80432 1214.69610
130.0000 -110.29881 -103.50121 6.79760 2.97846 -102.26140 1237.86419
135.0000 -111.57924 -103.19702 8.38222 2.86761 -103.72546 1146.12717
140.0000 -110.15986 -103.08385 7.07601 2.91123 -103.14935 1191.53115
145.0000 -111.79822 -103.05604 8.74217 2.91558 -103.09190 1200.64696
150.0000 -109.49598 -102.03206 7.46392 2.90533 -103.22728 1269.10058
155.0000 -109.59424 -101.87174 7.72249 2.99640 -102.02441 1270.37760
160.0000 -111.08466 -102.94561 8.13905 2.92489 -102.96886 1176.01235
165.0000 -110.77602 -103.08362 7.69240 2.99227 -102.07894 1295.39674
170.0000 -110.81286 -102.59028 8.22259 2.99443 -102.05045 1324.25868
175.0000 -110.83954 -104.65264 6.18690 2.87116 -103.67857 1174.27964
180.0000 -109.18488 -101.12105 8.06382 2.90661 -103.21029 1205.22747
185.0000 -108.73680 -100.57677 8.16003 3.13849 -100.14772 1316.61957
190.0000 -108.77870 -101.56247 7.21624 3.13829 -100.15032 1327.56919
195.0000 -110.50176 -104.14569 6.35606 2.95507 -102.57030 1218.95612
200.0000 -111.62426 -104.41560 7.20866 2.85264 -103.92316 1205.72402
205.0000 -110.51973 -103.70142 6.81831 2.85247 -103.92539 1152.94889
210.0000 -110.83545 -102.45276 8.38269 2.92893 -102.91549 1249.66048
215.0000 -108.58598 -100.18226 8.40372 3.02210 -101.68503 1326.54811
220.0000 -111.54527 -102.96089 8.58439 2.93864 -102.78734 1249.96320
225.0000 -110.88668 -104.72422 6.16246 2.80835 -104.50818 1130.66419
230.0000 -110.32991 -103.55571 6.77420 2.85791 -103.85361 1124.10846
235.0000 -110.09474 -103.20916 6.88558 2.92957 -102.90703 1228.00594
240.0000 -110.34071 -103.06186 7.27884 2.99717 -102.01420 1290.17470
245.0000 -110.16655 -103.39089 6.77566 2.89370 -103.38090 1233.12934
250.0000 -110.89982 -103.20566 7.69416 2.95321 -102.59481 1242.80427
FREEZING PROCESS: loop number 2 T-loop= 1178.0000000000000
main_MD> interactions number 2 at Temperature= 1178.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.64839 7.53587 -4.60831
force_rgl> df(natom) 3.75113 2.89037 1.01585
255.0000 -110.45622 -103.04848 7.40774 2.88738 -103.46431 1246.48595
260.0000 -109.79620 -101.42242 8.37378 2.96888 -102.38791 1279.13223
265.0000 -110.20688 -102.65769 7.54920 2.97717 -102.27845 1286.67100
270.0000 -110.03419 -102.15578 7.87841 2.95794 -102.53243 1284.64307
275.0000 -112.07616 -103.77161 8.30456 2.95353 -102.59059 1228.21911
280.0000 -110.99131 -104.87642 6.11489 2.80583 -104.54137 1156.45920
285.0000 -111.55660 -104.55552 7.00108 2.78642 -104.79782 1148.88013
290.0000 -111.89559 -104.63089 7.26471 2.77897 -104.89622 1124.21708
295.0000 -111.51219 -103.81502 7.69717 2.78715 -104.78808 1107.65971
300.0000 -111.06552 -104.34837 6.71715 2.82545 -104.28228 1127.48430
305.0000 -111.90305 -104.17639 7.72666 2.83608 -104.14182 1153.83513
310.0000 -111.48871 -104.73718 6.75153 2.79043 -104.74477 1122.20341
315.0000 -110.97790 -104.10603 6.87187 2.81315 -104.44468 1114.06443
320.0000 -110.91907 -103.38412 7.53495 2.91529 -103.09570 1253.44004
325.0000 -110.22194 -102.26816 7.95378 2.94596 -102.69061 1266.14683
330.0000 -110.66954 -102.97196 7.69757 2.94811 -102.66216 1244.55185
335.0000 -112.62993 -104.94191 7.68802 2.83284 -104.18470 1145.47126
340.0000 -110.31426 -104.94463 5.36963 2.79774 -104.64825 1121.65446
345.0000 -112.34568 -104.47070 7.87499 2.77703 -104.92178 1099.22016
350.0000 -112.97950 -105.18887 7.79062 2.77901 -104.89559 1083.51232
355.0000 -111.24693 -103.58739 7.65954 2.80842 -104.50715 1121.14935
360.0000 -110.87188 -102.98202 7.88986 2.93591 -102.82329 1223.44120
365.0000 -112.99309 -105.32136 7.67173 2.88082 -103.55091 1194.77324
370.0000 -110.82846 -104.24332 6.58514 2.77472 -104.95226 1112.49237
375.0000 -110.64665 -103.36074 7.28591 2.87174 -103.67085 1158.37600
380.0000 -109.44734 -99.76314 9.68420 3.07236 -101.02122 1299.39666
385.0000 -110.42774 -102.60885 7.81889 3.01778 -101.74206 1298.67608
390.0000 -109.44268 -101.88192 7.56076 3.05486 -101.25234 1324.92660
395.0000 -109.60885 -100.98328 8.62557 3.10989 -100.52547 1349.24282
400.0000 -108.37426 -102.00284 6.37142 3.09675 -100.69904 1339.09971
405.0000 -108.78238 -101.41441 7.36797 3.04717 -101.35387 1310.46007
410.0000 -109.90578 -103.40201 6.50377 2.95215 -102.60892 1238.16613
415.0000 -113.27605 -105.74807 7.52798 2.82271 -104.31847 1161.96963
420.0000 -109.84333 -103.29999 6.54334 2.83008 -104.22107 1152.82728
425.0000 -111.62969 -103.71739 7.91230 2.85826 -103.84899 1169.29519
430.0000 -111.43778 -104.33899 7.09880 2.86056 -103.81855 1144.34490
435.0000 -112.66230 -106.09128 6.57101 2.68187 -106.17862 1031.91666
440.0000 -111.79571 -105.07843 6.71729 2.75402 -105.22572 1070.99345
445.0000 -111.92193 -104.71557 7.20636 2.81019 -104.48385 1092.97799
450.0000 -112.18861 -104.54393 7.64468 2.79626 -104.66777 1132.16446
455.0000 -112.54376 -106.21261 6.33115 2.78035 -104.87791 1149.60045
460.0000 -111.80544 -104.76570 7.03974 2.81231 -104.45580 1139.82926
465.0000 -111.16539 -104.38689 6.77850 2.76426 -105.09051 1109.11423
470.0000 -110.17381 -102.93090 7.24291 2.83403 -104.16890 1164.97357
475.0000 -110.73679 -101.54713 9.18965 2.97264 -102.33819 1277.81829
480.0000 -109.93280 -102.71535 7.21744 2.97809 -102.26631 1248.25055
485.0000 -112.17240 -104.43273 7.73966 2.79011 -104.74899 1152.31508
490.0000 -112.61494 -106.76801 5.84692 2.70268 -105.90379 1093.91705
495.0000 -112.11419 -105.35676 6.75743 2.63087 -106.85227 957.49848
500.0000 -112.07294 -104.68523 7.38771 2.76563 -105.07236 1100.20005
FREEZING PROCESS: loop number 3 T-loop= 1153.0000000000000
main_MD> interactions number 3 at Temperature= 1153.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86963 -1.59782 -0.42144
force_rgl> df(natom) 0.16993 2.70552 0.48066
505.0000 -111.67328 -106.05376 5.61952 2.75095 -105.26622 1111.59771
510.0000 -112.56448 -105.95465 6.60982 2.69262 -106.03661 1043.93496
515.0000 -111.25910 -104.37888 6.88022 2.79504 -104.68390 1133.48622
520.0000 -112.00218 -106.18788 5.81429 2.76108 -105.13240 1071.24263
525.0000 -112.43400 -105.75803 6.67596 2.73502 -105.47670 1110.56238
530.0000 -112.32740 -104.59264 7.73476 2.74144 -105.39190 1083.50260
535.0000 -110.96545 -104.42985 6.53560 2.80797 -104.51311 1137.68334
540.0000 -110.93614 -104.86266 6.07349 2.85211 -103.93019 1193.16149
545.0000 -112.30107 -104.40657 7.89450 2.81433 -104.42915 1153.27086
550.0000 -111.50079 -103.74153 7.75927 2.85231 -103.92756 1151.96659
555.0000 -111.67058 -104.68148 6.98910 2.81018 -104.48391 1095.14896
560.0000 -111.57196 -104.57981 6.99215 2.85647 -103.87259 1202.51357
565.0000 -111.40198 -104.59799 6.80399 2.80537 -104.54746 1100.90624
570.0000 -110.73580 -103.93091 6.80490 2.87681 -103.60389 1180.08488
575.0000 -111.04698 -104.39634 6.65064 2.86523 -103.75694 1170.17136
580.0000 -111.65366 -104.72008 6.93359 2.73160 -105.52186 1062.16055
585.0000 -111.67948 -104.20031 7.47918 2.80786 -104.51461 1139.90384
590.0000 -112.55751 -105.38982 7.16769 2.76548 -105.07437 1091.45446
595.0000 -111.33038 -105.26383 6.06655 2.75240 -105.24716 1088.66392
600.0000 -113.71891 -106.92877 6.79014 2.71011 -105.80568 1039.22887
605.0000 -112.63492 -105.33658 7.29834 2.70686 -105.84853 1073.86399
610.0000 -112.83370 -107.16724 5.66647 2.71186 -105.78256 1045.65037
615.0000 -111.02547 -104.51729 6.50818 2.68848 -106.09128 1046.84104
620.0000 -113.11825 -106.56075 6.55749 2.69555 -105.99800 1079.48482
625.0000 -111.95954 -105.04244 6.91710 2.71873 -105.69179 1044.15416
630.0000 -110.59462 -103.44510 7.14952 2.82257 -104.32026 1155.56141
635.0000 -112.68524 -105.37681 7.30843 2.80348 -104.57241 1144.48008
640.0000 -113.08194 -107.16017 5.92176 2.65193 -106.57405 1020.57933
645.0000 -110.98171 -104.54147 6.44024 2.72494 -105.60982 1069.52591
650.0000 -110.51895 -104.08759 6.43135 2.78032 -104.87841 1106.17266
655.0000 -109.98679 -102.66631 7.32049 2.89776 -103.32722 1155.69201
660.0000 -112.79874 -105.40734 7.39140 2.87971 -103.56566 1153.05491
665.0000 -111.42312 -104.40595 7.01718 2.78351 -104.83618 1108.31663
670.0000 -110.47513 -103.87899 6.59614 2.88072 -103.55234 1175.51193
675.0000 -111.59522 -104.47669 7.11853 2.83806 -104.11575 1125.38751
680.0000 -111.41356 -104.58165 6.83191 2.81528 -104.41664 1185.12304
685.0000 -109.96809 -103.03961 6.92848 2.86840 -103.71499 1157.35827
690.0000 -109.20456 -101.72592 7.47864 3.01022 -101.84193 1242.64687
695.0000 -110.79028 -103.95494 6.83534 2.93332 -102.85762 1204.61473
700.0000 -111.41551 -104.54645 6.86905 2.82096 -104.34152 1132.64877
705.0000 -111.95399 -105.13536 6.81864 2.80712 -104.52439 1176.82179
710.0000 -111.41544 -103.11358 8.30186 2.86006 -103.82522 1177.42525
715.0000 -110.59677 -103.84336 6.75341 2.89490 -103.36494 1167.84888
720.0000 -112.10197 -105.07878 7.02319 2.79134 -104.73278 1079.41252
725.0000 -111.94173 -104.90394 7.03779 2.81849 -104.37425 1166.03344
730.0000 -110.50052 -103.63616 6.86436 2.83650 -104.13629 1143.43044
735.0000 -112.02520 -105.20820 6.81700 2.82477 -104.29131 1135.79256
740.0000 -112.29655 -105.61800 6.67855 2.81260 -104.45195 1129.92897
745.0000 -112.53624 -104.66641 7.86983 2.76617 -105.06523 1091.67421
750.0000 -111.18838 -103.83907 7.34931 2.79227 -104.72047 1106.28931
FREEZING PROCESS: loop number 4 T-loop= 1128.0000000000000
main_MD> interactions number 4 at Temperature= 1128.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24068 -1.19676 -3.05188
force_rgl> df(natom) 2.31263 1.12943 1.52587
755.0000 -113.97237 -107.13114 6.84123 2.74516 -105.34277 1106.25466
760.0000 -111.12029 -105.74742 5.37287 2.68841 -106.09231 1043.52540
765.0000 -112.94279 -106.88797 6.05483 2.67353 -106.28880 1013.46581
770.0000 -112.43169 -106.21874 6.21295 2.62621 -106.91385 975.98796
775.0000 -113.10939 -105.37621 7.73318 2.67963 -106.20818 1009.05996
780.0000 -112.75804 -106.23588 6.52216 2.68037 -106.19841 1038.28706
785.0000 -110.65279 -103.62060 7.03219 2.79988 -104.62004 1184.79102
790.0000 -112.34249 -105.42233 6.92016 2.77281 -104.97751 1127.37245
795.0000 -114.33946 -107.48059 6.85887 2.74617 -105.32937 1112.71645
800.0000 -110.97335 -105.04602 5.92733 2.71175 -105.78406 1079.92273
805.0000 -109.98302 -103.56840 6.41462 2.75585 -105.20155 1030.24092
810.0000 -111.14320 -104.53899 6.60421 2.80833 -104.50842 1111.45546
815.0000 -113.21189 -106.92807 6.28383 2.77137 -104.99661 1105.06651
820.0000 -111.36347 -104.71089 6.65257 2.77605 -104.93470 1091.49378
825.0000 -110.78323 -103.35296 7.43027 2.79310 -104.70950 1119.13768
830.0000 -113.64388 -106.32668 7.31720 2.75726 -105.18294 1084.29652
835.0000 -111.81162 -104.13851 7.67311 2.75298 -105.23945 1090.26420
840.0000 -110.63526 -103.10970 7.52556 2.86956 -103.69972 1192.96985
845.0000 -111.30184 -103.77851 7.52333 2.88011 -103.56034 1166.49343
850.0000 -112.32831 -104.73179 7.59652 2.83449 -104.16293 1148.77127
855.0000 -113.64869 -105.49458 8.15411 2.77899 -104.89590 1111.72068
860.0000 -111.32676 -104.24142 7.08534 2.76400 -105.09393 1102.83623
865.0000 -112.99886 -104.16734 8.83152 2.78211 -104.85471 1143.45639
870.0000 -111.02340 -104.46919 6.55421 2.85422 -103.90223 1174.61916
875.0000 -112.51096 -106.00155 6.50942 2.73403 -105.48974 1017.99700
880.0000 -112.02909 -105.26578 6.76332 2.74634 -105.32712 1110.08202
885.0000 -111.49204 -104.96294 6.52910 2.79259 -104.71629 1116.68315
890.0000 -111.83567 -105.11826 6.71741 2.80809 -104.51157 1144.40857
895.0000 -112.28149 -106.18496 6.09652 2.72976 -105.54617 1098.17168
900.0000 -112.97154 -104.80619 8.16536 2.71845 -105.69544 1082.64262
905.0000 -112.91906 -106.69525 6.22381 2.69396 -106.01890 1063.02494
910.0000 -112.79754 -107.00001 5.79753 2.57865 -107.54198 981.15079
915.0000 -111.21377 -104.65723 6.55654 2.75054 -105.27165 1099.95795
920.0000 -109.88167 -102.83045 7.05122 2.96273 -102.46916 1276.23523
925.0000 -109.67622 -100.70134 8.97488 2.97483 -102.30925 1262.81130
930.0000 -111.99763 -104.40595 7.59168 2.90412 -103.24317 1244.54709
935.0000 -111.66229 -104.17083 7.49146 2.85573 -103.88229 1155.37390
940.0000 -109.98740 -103.19439 6.79301 2.86433 -103.76881 1167.07118
945.0000 -111.95713 -103.62882 8.32831 2.87265 -103.65890 1192.21851
950.0000 -111.66348 -104.79520 6.86828 2.89120 -103.41393 1205.38362
955.0000 -112.69690 -106.30783 6.38907 2.75256 -105.24493 1114.47069
960.0000 -112.33187 -104.90186 7.43000 2.73916 -105.42203 1097.14351
965.0000 -110.73697 -102.38028 8.35669 2.87403 -103.64067 1176.13317
970.0000 -112.34239 -105.54530 6.79709 2.84251 -104.05695 1184.79285
975.0000 -113.04704 -105.97050 7.07654 2.64658 -106.64475 1013.51561
980.0000 -110.97264 -103.65625 7.31639 2.79658 -104.66359 1119.81161
985.0000 -112.53511 -104.02053 8.51459 2.85626 -103.87534 1170.91252
990.0000 -110.50311 -102.75668 7.74643 2.87375 -103.64431 1169.64595
995.0000 -111.55162 -104.52263 7.02899 2.86844 -103.71452 1160.77454
1000.0000 -111.14595 -105.31390 5.83205 2.78124 -104.86624 1105.55593
FREEZING PROCESS: loop number 5 T-loop= 1103.0000000000000
main_MD> interactions number 5 at Temperature= 1103.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08213 5.61636 -0.88508
force_rgl> df(natom) 1.82295 0.31826 -0.76665
1005.0000 -112.76132 -105.43948 7.32184 2.78425 -104.82642 1112.30032
1010.0000 -112.39572 -105.63017 6.76556 2.81140 -104.46788 1113.68503
1015.0000 -110.01800 -103.85232 6.16568 2.74882 -105.29443 1057.73022
1020.0000 -110.81823 -103.95102 6.86721 2.81742 -104.38838 1117.08993
1025.0000 -109.83908 -103.57123 6.26785 2.86850 -103.71370 1156.86848
1030.0000 -110.08047 -103.66229 6.41818 2.82123 -104.33798 1156.31843
1035.0000 -111.25468 -103.79760 7.45708 2.85756 -103.85814 1167.71854
1040.0000 -110.99343 -103.06146 7.93197 2.81043 -104.48071 1161.94966
1045.0000 -113.15940 -105.81077 7.34864 2.78226 -104.85272 1137.69979
1050.0000 -113.65778 -104.78412 8.87365 2.78070 -104.87328 1144.38008
1055.0000 -111.70789 -104.14323 7.56466 2.82419 -104.29890 1170.66509
1060.0000 -110.26562 -103.25871 7.00692 2.85730 -103.86161 1194.00573
1065.0000 -109.87992 -101.69041 8.18950 2.89457 -103.36932 1186.51721
1070.0000 -112.82064 -104.66075 8.15990 2.91293 -103.12690 1197.41444
1075.0000 -111.03843 -104.74693 6.29150 2.80049 -104.61190 1145.62139
1080.0000 -111.77403 -106.00563 5.76840 2.71316 -105.76541 1052.82940
1085.0000 -111.03989 -104.29243 6.74746 2.70240 -105.90747 1051.57592
1090.0000 -110.61212 -104.27169 6.34043 2.90830 -103.18800 1209.76480
1095.0000 -111.51339 -105.31449 6.19890 2.77894 -104.89661 1096.09433
1100.0000 -109.36322 -103.12148 6.24175 2.82891 -104.23665 1163.07293
1105.0000 -110.76154 -102.92802 7.83351 2.87783 -103.59048 1194.96145
1110.0000 -111.84773 -104.77937 7.06836 2.89809 -103.32292 1193.98424
1115.0000 -112.14182 -105.63017 6.51165 2.72886 -105.55806 1042.33435
1120.0000 -111.27125 -104.07869 7.19256 2.81136 -104.46838 1119.02364
1125.0000 -109.83205 -102.94224 6.88982 2.85995 -103.82658 1132.62536
1130.0000 -110.14945 -104.07577 6.07368 2.76211 -105.11880 1067.91739
1135.0000 -110.69548 -104.29145 6.40403 2.87183 -103.66973 1167.16084
1140.0000 -111.50768 -105.36971 6.13797 2.82650 -104.26848 1159.00774
1145.0000 -111.87877 -105.58085 6.29791 2.72597 -105.59620 1055.46900
1150.0000 -113.32560 -106.50364 6.82197 2.70516 -105.87098 1096.11675
1155.0000 -113.19111 -106.72185 6.46926 2.66678 -106.37800 1004.62113
1160.0000 -112.86976 -106.73780 6.13196 2.66732 -106.37085 1033.53635
1165.0000 -110.91092 -104.08829 6.82262 2.77328 -104.97127 1124.01537
1170.0000 -111.42916 -104.05050 7.37867 2.85669 -103.86961 1201.53985
1175.0000 -110.93013 -103.80592 7.12421 2.85186 -103.93347 1158.87975
1180.0000 -112.10416 -103.18951 8.91465 2.89258 -103.39561 1196.67205
1185.0000 -111.35243 -103.71654 7.63589 2.86877 -103.71008 1198.91030
1190.0000 -112.03082 -105.58813 6.44270 2.80331 -104.57467 1129.44023
1195.0000 -111.59834 -105.46962 6.12872 2.72775 -105.57267 1078.20943
1200.0000 -110.91029 -104.31611 6.59418 2.81328 -104.44300 1132.60572
1205.0000 -113.64664 -106.15528 7.49136 2.75489 -105.21423 1102.67847
1210.0000 -109.97821 -102.68523 7.29298 2.80200 -104.59205 1128.90011
1215.0000 -111.80460 -105.24001 6.56459 2.83795 -104.11723 1128.74098
1220.0000 -111.31896 -105.57529 5.74367 2.68816 -106.09552 1022.61852
1225.0000 -111.62372 -103.93925 7.68447 2.74510 -105.34348 1082.52654
1230.0000 -111.59084 -105.42878 6.16207 2.83452 -104.16251 1162.42285
1235.0000 -109.76077 -102.63906 7.12171 2.89324 -103.38698 1175.55897
1240.0000 -110.87646 -103.63548 7.24098 2.87911 -103.57359 1189.94222
1245.0000 -112.09671 -105.25016 6.84655 2.80271 -104.58265 1112.74619
1250.0000 -111.56240 -105.51100 6.05140 2.74826 -105.30181 1073.13341
FREEZING PROCESS: loop number 6 T-loop= 1078.0000000000000
main_MD> interactions number 6 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84014 0.07592 0.98947
force_rgl> df(natom) 1.06785 1.05870 0.54580
1255.0000 -111.22707 -105.32399 5.90308 2.69757 -105.97125 1080.86353
1260.0000 -114.34163 -107.81874 6.52289 2.62949 -106.87040 993.29658
1265.0000 -112.15024 -105.64966 6.50058 2.59708 -107.29853 953.55331
1270.0000 -113.71956 -106.44550 7.27406 2.67306 -106.29499 1061.60341
1275.0000 -113.25142 -106.05568 7.19574 2.59764 -107.29111 973.88079
1280.0000 -112.77810 -106.15096 6.62713 2.66662 -106.38010 1004.04011
1285.0000 -111.93117 -105.70899 6.22218 2.73802 -105.43702 1081.48062
1290.0000 -112.81772 -105.74345 7.07426 2.75626 -105.19609 1092.91037
1295.0000 -111.43280 -105.14453 6.28828 2.69774 -105.96902 1057.85267
1300.0000 -113.23644 -107.52191 5.71453 2.66322 -106.42497 1059.70043
1305.0000 -113.77746 -107.09090 6.68656 2.55316 -107.87866 936.88484
1310.0000 -113.99765 -107.47118 6.52647 2.62580 -106.91923 1027.41777
1315.0000 -112.99677 -104.46087 8.53591 2.65759 -106.49927 1045.48354
1320.0000 -111.88407 -106.21406 5.67001 2.69372 -106.02216 1022.39146
1325.0000 -113.22724 -106.95704 6.27020 2.61642 -107.04309 985.21401
1330.0000 -113.78445 -106.72623 7.05822 2.64701 -106.63900 1002.60921
1335.0000 -110.67874 -104.61316 6.06558 2.73612 -105.46215 1061.30460
1340.0000 -113.64032 -106.20095 7.43937 2.69148 -106.05176 1019.93128
1345.0000 -111.38210 -104.36477 7.01733 2.76173 -105.12386 1073.83263
1350.0000 -109.80141 -103.12568 6.67573 2.84033 -104.08580 1175.20114
1355.0000 -111.34881 -105.64758 5.70122 2.87829 -103.58439 1199.62916
1360.0000 -111.01770 -103.68316 7.33453 2.84620 -104.00827 1183.72722
1365.0000 -111.01489 -103.99928 7.01561 2.93298 -102.86212 1235.47721
1370.0000 -111.41930 -103.92444 7.49486 2.82769 -104.25267 1162.99730
1375.0000 -110.77612 -104.14321 6.63291 2.85430 -103.90128 1188.37102
1380.0000 -110.13388 -102.60803 7.52586 2.93389 -102.85000 1207.11726
1385.0000 -111.98629 -103.27439 8.71191 2.82442 -104.29590 1123.77946
1390.0000 -114.06473 -107.18887 6.87586 2.74391 -105.35928 1098.21200
1395.0000 -111.33490 -105.08140 6.25350 2.68660 -106.11616 1045.75845
1400.0000 -112.28019 -106.16100 6.11918 2.67623 -106.25310 1080.48798
1405.0000 -112.22700 -105.30393 6.92306 2.83855 -104.10925 1156.53211
1410.0000 -112.80806 -104.15116 8.65691 2.80569 -104.54325 1138.00350
1415.0000 -112.11094 -105.37113 6.73981 2.72352 -105.62856 1075.42337
1420.0000 -111.71735 -104.53755 7.17979 2.75775 -105.17639 1091.78675
1425.0000 -108.21511 -100.99825 7.21686 2.92025 -103.03018 1205.71663
1430.0000 -112.09231 -105.25934 6.83298 2.89206 -103.40246 1184.45280
1435.0000 -110.84832 -104.85645 5.99187 2.81530 -104.41638 1142.61626
1440.0000 -112.29499 -106.71168 5.58331 2.74914 -105.29018 1049.83985
1445.0000 -112.04713 -105.28200 6.76513 2.65177 -106.57617 1013.00132
1450.0000 -112.85342 -106.51143 6.34200 2.72496 -105.60949 1060.95157
1455.0000 -113.61542 -107.88872 5.72670 2.63032 -106.85946 966.57462
1460.0000 -113.16507 -105.84427 7.32080 2.69407 -106.01756 1086.72623
1465.0000 -112.67164 -105.47365 7.19799 2.80502 -104.55208 1126.20212
1470.0000 -111.81894 -105.83573 5.98322 2.72739 -105.57736 1054.62623
1475.0000 -111.46110 -103.38824 8.07286 2.75481 -105.21523 1081.23242
1480.0000 -110.96512 -105.48146 5.48366 2.77239 -104.98304 1114.30162
1485.0000 -110.70587 -103.80302 6.90285 2.81113 -104.47136 1144.84540
1490.0000 -112.18427 -104.12066 8.06361 2.83592 -104.14396 1123.17208
1495.0000 -110.53374 -104.53277 6.00097 2.84373 -104.04086 1201.95374
1500.0000 -113.06867 -106.96076 6.10791 2.75192 -105.25342 1141.31317
FREEZING PROCESS: loop number 7 T-loop= 1053.0000000000000
main_MD> interactions number 7 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16012 3.64637 -8.89417
force_rgl> df(natom) 2.18862 -0.74304 4.91710
1505.0000 -111.40329 -104.51227 6.89102 2.71405 -105.75358 1084.50157
1510.0000 -111.01752 -104.02158 6.99594 2.82119 -104.33856 1109.54648
1515.0000 -111.12441 -103.61697 7.50744 2.83138 -104.20397 1157.23820
1520.0000 -111.21566 -104.63844 6.57722 2.89152 -103.40959 1169.33960
1525.0000 -113.18109 -105.13741 8.04368 2.72077 -105.66490 1089.03353
1530.0000 -112.19894 -106.54122 5.65772 2.72298 -105.63572 1075.51869
1535.0000 -113.30772 -105.80127 7.50644 2.58364 -107.47606 961.58758
1540.0000 -112.63639 -106.37206 6.26433 2.68645 -106.11818 1033.05481
1545.0000 -114.19780 -108.99967 5.19813 2.53962 -108.05745 927.47627
1550.0000 -114.28582 -107.36813 6.91769 2.54219 -108.02352 922.29649
1555.0000 -113.68120 -107.20654 6.47466 2.58364 -107.47606 988.52256
1560.0000 -112.99979 -107.72131 5.27848 2.55651 -107.83431 934.05385
1565.0000 -112.43199 -105.52805 6.90394 2.60217 -107.23131 987.87343
1570.0000 -112.82846 -105.24569 7.58277 2.76841 -105.03570 1063.77238
1575.0000 -111.81425 -103.99076 7.82349 2.74593 -105.33260 1116.48125
1580.0000 -112.41173 -106.09181 6.31991 2.76078 -105.13638 1081.43325
1585.0000 -111.36234 -102.37321 8.98913 2.79606 -104.67039 1128.02902
1590.0000 -111.64831 -105.22073 6.42758 2.81917 -104.36528 1222.98249
1595.0000 -113.08481 -107.29627 5.78855 2.71888 -105.68979 1024.58514
1600.0000 -113.19523 -105.20495 7.99028 2.68082 -106.19249 1020.25713
1605.0000 -112.83716 -106.07494 6.76222 2.70014 -105.93729 1054.81283
1610.0000 -112.11706 -106.30167 5.81539 2.68158 -106.18250 1061.04950
1615.0000 -112.26509 -105.92611 6.33898 2.71426 -105.75086 1097.04858
1620.0000 -113.50134 -107.10182 6.39951 2.56507 -107.72133 882.20905
1625.0000 -112.13870 -105.54840 6.59030 2.59556 -107.31863 945.65272
1630.0000 -112.69039 -105.53762 7.15277 2.71564 -105.73261 1053.34821
1635.0000 -112.76041 -106.48672 6.27369 2.68652 -106.11724 1046.18703
1640.0000 -113.76159 -107.27610 6.48549 2.67571 -106.26000 1012.93506
1645.0000 -113.44503 -107.39916 6.04587 2.57968 -107.52827 953.50923
1650.0000 -113.69547 -106.27520 7.42026 2.57093 -107.64394 939.10212
1655.0000 -113.92963 -108.14743 5.78220 2.55170 -107.89793 945.14677
1660.0000 -113.99335 -108.77206 5.22129 2.59309 -107.35124 988.80170
1665.0000 -113.32093 -108.54014 4.78079 2.47517 -108.90864 872.29421
1670.0000 -112.02858 -105.74094 6.28764 2.60844 -107.14849 962.67369
1675.0000 -112.00228 -105.57849 6.42379 2.65754 -106.50003 1020.44846
1680.0000 -111.21299 -105.17079 6.04221 2.70756 -105.83932 1073.68540
1685.0000 -112.97214 -107.25933 5.71281 2.70749 -105.84030 1017.35851
1690.0000 -111.47587 -104.16668 7.30919 2.71271 -105.77129 1079.55896
1695.0000 -112.96189 -105.18345 7.77844 2.79566 -104.67576 1115.63189
1700.0000 -111.54780 -105.07008 6.47772 2.71069 -105.79795 1064.51674
1705.0000 -113.25505 -106.95701 6.29804 2.69399 -106.01858 1026.60984
1710.0000 -113.10524 -107.72195 5.38329 2.55351 -107.87400 952.70219
1715.0000 -112.31720 -106.77026 5.54694 2.62670 -106.90725 1024.76218
1720.0000 -112.64162 -105.58572 7.05590 2.73225 -105.51318 1043.32590
1725.0000 -112.00134 -105.93477 6.06657 2.75533 -105.20839 1051.44871
1730.0000 -112.28703 -105.67729 6.60974 2.69335 -106.02697 1030.60382
1735.0000 -112.32402 -105.96000 6.36402 2.69452 -106.01162 1023.48961
1740.0000 -112.94265 -105.41682 7.52583 2.67547 -106.26315 987.39591
1745.0000 -113.23997 -108.16780 5.07217 2.61592 -107.04972 972.28749
1750.0000 -113.61720 -107.15143 6.46577 2.61029 -107.12408 984.44182
FREEZING PROCESS: loop number 8 T-loop= 1028.0000000000000
main_MD> interactions number 8 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61520 -1.78748 -0.48128
force_rgl> df(natom) -1.29700 -1.45142 0.99208
1755.0000 -113.69468 -107.05627 6.63840 2.64213 -106.70350 1001.96096
1760.0000 -113.51235 -106.53198 6.98037 2.65851 -106.48721 1048.39443
1765.0000 -110.67383 -104.95663 5.71720 2.74255 -105.37721 1121.02947
1770.0000 -111.90750 -104.78338 7.12412 2.77662 -104.92727 1103.28031
1775.0000 -112.44442 -106.37241 6.07202 2.69433 -106.01403 1047.55164
1780.0000 -112.53670 -107.10451 5.43219 2.63095 -106.85116 975.74569
1785.0000 -112.47469 -105.70891 6.76578 2.63490 -106.79904 1013.62351
1790.0000 -111.50506 -104.71083 6.79423 2.71774 -105.70492 1054.76975
1795.0000 -112.30073 -106.09282 6.20790 2.72705 -105.58188 1096.96976
1800.0000 -112.73690 -104.18531 8.55160 2.80728 -104.52230 1172.36028
1805.0000 -112.35129 -105.14588 7.20541 2.80995 -104.48698 1162.24235
1810.0000 -113.11496 -106.15462 6.96034 2.72871 -105.56000 1085.38220
1815.0000 -111.85007 -105.46888 6.38118 2.71979 -105.67778 1060.34065
1820.0000 -113.06642 -106.64239 6.42403 2.70922 -105.81743 1048.42660
1825.0000 -111.45846 -103.75091 7.70755 2.74858 -105.29760 1135.28848
1830.0000 -111.79537 -105.50930 6.28607 2.78904 -104.76314 1152.45394
1835.0000 -113.84995 -106.61508 7.23488 2.65460 -106.53878 1035.20947
1840.0000 -112.55135 -105.79646 6.75489 2.73492 -105.47799 1085.68829
1845.0000 -112.69106 -107.13535 5.55572 2.66256 -106.43365 986.40514
1850.0000 -111.47743 -105.02526 6.45217 2.69739 -105.97370 1032.22752
1855.0000 -112.33408 -107.25859 5.07548 2.61909 -107.00786 995.97913
1860.0000 -112.88476 -107.62644 5.25833 2.61121 -107.11193 952.13025
1865.0000 -114.23973 -108.72567 5.51406 2.56784 -107.68474 911.91568
1870.0000 -112.03649 -104.87919 7.15729 2.65450 -106.54015 1004.48242
1875.0000 -111.08591 -104.11010 6.97581 2.80262 -104.58380 1122.88349
1880.0000 -112.06672 -104.34827 7.71845 2.81442 -104.42792 1154.86714
1885.0000 -111.85204 -105.66369 6.18835 2.80559 -104.54458 1129.40161
1890.0000 -112.56722 -104.41288 8.15434 2.77049 -105.00822 1130.37201
1895.0000 -112.01103 -106.18182 5.82921 2.76864 -105.03258 1112.33343
1900.0000 -113.59682 -107.74901 5.84781 2.61442 -107.06945 988.66017
1905.0000 -112.46542 -106.30448 6.16094 2.63633 -106.78011 968.07830
1910.0000 -112.00339 -105.46181 6.54158 2.66484 -106.40352 1032.97632
1915.0000 -113.52669 -107.55554 5.97115 2.66828 -106.35812 1048.43696
1920.0000 -112.14723 -106.47788 5.66936 2.62714 -106.90152 953.35994
1925.0000 -113.02040 -107.76916 5.25124 2.63765 -106.76273 1026.62728
1930.0000 -114.72046 -107.68371 7.03675 2.59787 -107.28805 965.36410
1935.0000 -113.73242 -107.68263 6.04979 2.52744 -108.21832 931.08525
1940.0000 -112.70720 -105.78413 6.92307 2.61286 -107.09005 985.65596
1945.0000 -112.73143 -106.44338 6.28805 2.63865 -106.74943 1010.50692
1950.0000 -111.99416 -105.91494 6.07922 2.69504 -106.00471 995.74117
1955.0000 -113.83477 -108.36285 5.47192 2.61170 -107.10536 976.38568
1960.0000 -114.13375 -107.12885 7.00490 2.48975 -108.71612 918.33321
1965.0000 -112.18923 -105.07900 7.11023 2.69342 -106.02610 1086.32965
1970.0000 -114.15345 -105.97720 8.17625 2.73223 -105.51355 1091.08950
1975.0000 -113.37214 -106.01481 7.35733 2.73129 -105.52594 1082.45678
1980.0000 -111.96545 -105.63456 6.33088 2.62954 -106.86980 982.63024
1985.0000 -113.81327 -105.48986 8.32341 2.70673 -105.85030 1078.87543
1990.0000 -112.70629 -106.21887 6.48742 2.70458 -105.87873 1055.08803
1995.0000 -113.09902 -106.41688 6.68214 2.63690 -106.77261 1025.33565
2000.0000 -113.21454 -107.62954 5.58499 2.61677 -107.03848 995.50809
FREEZING PROCESS: loop number 9 T-loop= 1003.0000000000000
main_MD> interactions number 9 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.04879 -0.18148 1.61595
force_rgl> df(natom) 0.58098 -2.61244 -5.97872
2005.0000 -113.57073 -107.25543 6.31530 2.59894 -107.27394 943.25973
2010.0000 -113.83354 -107.13819 6.69535 2.59833 -107.28199 981.05426
2015.0000 -113.47813 -108.60498 4.87314 2.57332 -107.61237 975.37370
2020.0000 -114.00724 -108.32320 5.68404 2.50314 -108.53931 906.15358
2025.0000 -111.88248 -106.90003 4.98245 2.50209 -108.55315 937.26900
2030.0000 -113.32663 -106.21010 7.11653 2.70079 -105.92877 1034.21153
2035.0000 -113.31652 -106.76077 6.55576 2.65008 -106.59854 1004.41617
2040.0000 -114.61038 -107.81006 6.80032 2.60192 -107.23459 997.56708
2045.0000 -114.05540 -108.61805 5.43734 2.48113 -108.82999 905.84936
2050.0000 -113.95230 -108.09464 5.85766 2.53174 -108.16152 919.17894
2055.0000 -113.36126 -107.52292 5.83835 2.62135 -106.97791 993.08337
2060.0000 -115.26014 -108.47574 6.78439 2.53384 -108.13375 913.54795
2065.0000 -114.07105 -108.50798 5.56307 2.52330 -108.27304 935.47739
2070.0000 -113.49186 -107.14742 6.34443 2.54910 -107.93223 906.41957
2075.0000 -112.58316 -106.26397 6.31920 2.66872 -106.35238 1030.08883
2080.0000 -112.02818 -104.95120 7.07698 2.73257 -105.50904 1076.08294
2085.0000 -113.02889 -105.97824 7.05065 2.74641 -105.32623 1074.76519
2090.0000 -111.14524 -104.23602 6.90922 2.73065 -105.53431 1064.78460
2095.0000 -112.48918 -105.70417 6.78501 2.76435 -105.08930 1089.98288
2100.0000 -112.49583 -107.12522 5.37060 2.66013 -106.46572 1044.52127
2105.0000 -113.60522 -105.29067 8.31455 2.69659 -105.98419 1042.66770
2110.0000 -114.47692 -108.97111 5.50581 2.62830 -106.88622 1007.97556
2115.0000 -114.49259 -108.73324 5.75934 2.48403 -108.79166 899.44097
2120.0000 -114.34189 -108.58107 5.76083 2.50101 -108.56741 866.94530
2125.0000 -113.82750 -107.35018 6.47732 2.57024 -107.65306 943.81672
2130.0000 -112.84407 -106.91449 5.92958 2.60510 -107.19258 963.81550
2135.0000 -111.79669 -105.63032 6.16637 2.73526 -105.47352 1063.95755
2140.0000 -111.77947 -105.88518 5.89428 2.76100 -105.13353 1084.85105
2145.0000 -113.54509 -107.22669 6.31840 2.65978 -106.47037 1028.93535
2150.0000 -112.14356 -105.35486 6.78870 2.70469 -105.87721 1043.04319
2155.0000 -111.05649 -103.93503 7.12147 2.80229 -104.58813 1131.99037
2160.0000 -109.82755 -104.23445 5.59310 2.80192 -104.59310 1096.82152
2165.0000 -112.41228 -106.39341 6.01887 2.79927 -104.62801 1132.56146
2170.0000 -113.25534 -106.82823 6.42711 2.64788 -106.62762 1030.04567
2175.0000 -111.67153 -106.12834 5.54320 2.60970 -107.13185 976.30810
2180.0000 -114.20091 -106.87485 7.32606 2.67944 -106.21075 1009.41557
2185.0000 -114.24387 -108.17355 6.07032 2.57520 -107.58756 954.62705
2190.0000 -113.94708 -108.19608 5.75100 2.51715 -108.35426 914.78042
2195.0000 -112.56690 -106.67979 5.88710 2.62226 -106.96601 987.99026
2200.0000 -113.55685 -107.00483 6.55203 2.65539 -106.52836 1039.17253
2205.0000 -112.85604 -106.34255 6.51350 2.68422 -106.14764 1003.29603
2210.0000 -112.71278 -105.88546 6.82733 2.63806 -106.75732 1049.59676
2215.0000 -112.64635 -106.53425 6.11210 2.67190 -106.31027 1027.57970
2220.0000 -113.34153 -105.89279 7.44874 2.69672 -105.98256 1035.12967
2225.0000 -112.77675 -107.46175 5.31500 2.68765 -106.10230 1092.92903
2230.0000 -112.69925 -106.60601 6.09324 2.65749 -106.50064 1014.64803
2235.0000 -114.02957 -107.87501 6.15456 2.58593 -107.44581 966.63322
2240.0000 -113.05343 -107.63993 5.41350 2.61052 -107.12101 978.20445
2245.0000 -113.20902 -107.62117 5.58785 2.59613 -107.31106 976.81560
2250.0000 -113.50049 -108.11551 5.38498 2.59870 -107.27716 995.18513
FREEZING PROCESS: loop number 10 T-loop= 978.00000000000000
main_MD> interactions number 10 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.70647 4.04216 5.79200
force_rgl> df(natom) 1.46972 -0.17342 1.83401
2255.0000 -113.84929 -108.09101 5.75828 2.56582 -107.71138 956.47324
2260.0000 -113.32510 -108.68067 4.64443 2.52728 -108.22048 911.39090
2265.0000 -113.32931 -108.07168 5.25763 2.49066 -108.70402 879.44414
2270.0000 -114.08393 -107.55121 6.53272 2.54730 -107.95602 942.67057
2275.0000 -113.34930 -108.52568 4.82361 2.57568 -107.58122 958.66086
2280.0000 -114.38252 -108.62969 5.75283 2.52595 -108.23805 922.58875
2285.0000 -113.91378 -107.39963 6.51415 2.53107 -108.17041 891.13097
2290.0000 -113.25702 -107.57065 5.68637 2.56875 -107.67275 959.29269
2295.0000 -112.46278 -106.34390 6.11888 2.60467 -107.19823 966.55220
2300.0000 -114.20406 -108.18655 6.01751 2.62420 -106.94029 1018.99558
2305.0000 -113.46468 -107.42759 6.03709 2.56994 -107.65703 946.15691
2310.0000 -114.78773 -109.76837 5.01937 2.54725 -107.95662 911.89358
2315.0000 -111.83044 -106.72791 5.10253 2.49950 -108.58736 878.51916
2320.0000 -113.48263 -108.61994 4.86268 2.62768 -106.89439 981.26534
2325.0000 -113.97171 -107.98275 5.98896 2.55113 -107.90544 910.26993
2330.0000 -114.22921 -107.61901 6.61020 2.55797 -107.81508 964.11851
2335.0000 -113.28523 -107.01365 6.27158 2.65254 -106.56598 1008.37243
2340.0000 -114.24001 -107.82343 6.41658 2.59438 -107.33425 974.83867
2345.0000 -113.39729 -107.12504 6.27225 2.58678 -107.43459 971.56441
2350.0000 -112.01413 -104.81523 7.19889 2.66163 -106.44596 987.04741
2355.0000 -112.87779 -105.74889 7.12890 2.77109 -105.00022 1158.05569
2360.0000 -113.95905 -108.36399 5.59506 2.60967 -107.13223 980.31271
2365.0000 -114.97974 -108.46752 6.51222 2.49559 -108.63892 929.26187
2370.0000 -112.94350 -105.39397 7.54953 2.65091 -106.58754 1026.23593
2375.0000 -112.54088 -105.32269 7.21819 2.75392 -105.22708 1090.96171
2380.0000 -113.09739 -107.58761 5.50978 2.64460 -106.67083 1010.89512
2385.0000 -113.30724 -106.33310 6.97414 2.63095 -106.85118 963.35798
2390.0000 -113.21611 -106.43998 6.77614 2.62826 -106.88667 943.04818
2395.0000 -112.04119 -106.14535 5.89583 2.65478 -106.53646 1019.98951
2400.0000 -112.95467 -107.09357 5.86110 2.66408 -106.41360 1027.84558
2405.0000 -113.65575 -107.42242 6.23332 2.60184 -107.23560 949.49486
2410.0000 -112.69025 -107.30386 5.38639 2.63366 -106.81540 1008.86466
2415.0000 -111.53186 -106.36535 5.16651 2.56364 -107.74020 937.77027
2420.0000 -113.55905 -106.77402 6.78503 2.61259 -107.09361 978.19522
2425.0000 -111.58222 -105.24789 6.33433 2.71516 -105.73893 1050.69656
2430.0000 -112.33700 -104.48513 7.85187 2.79990 -104.61977 1140.26537
2435.0000 -113.30807 -107.29980 6.00827 2.65905 -106.48007 1016.36133
2440.0000 -114.06813 -107.30407 6.76406 2.67633 -106.25181 1013.96258
2445.0000 -112.37661 -106.57660 5.80001 2.63313 -106.82241 1028.75587
2450.0000 -112.86327 -106.96579 5.89748 2.60196 -107.23412 971.56689
2455.0000 -113.88753 -108.93059 4.95694 2.56444 -107.72966 926.50409
2460.0000 -113.27822 -106.86144 6.41678 2.59120 -107.37615 977.90726
2465.0000 -112.38781 -106.90896 5.47885 2.59552 -107.31910 973.94390
2470.0000 -113.38528 -108.59460 4.79068 2.55562 -107.84616 914.37077
2475.0000 -112.23852 -105.62746 6.61106 2.62781 -106.89262 969.30196
2480.0000 -111.75801 -106.86546 4.89255 2.68378 -106.15342 1043.58621
2485.0000 -112.86825 -107.86128 5.00697 2.62920 -106.87424 986.51477
2490.0000 -114.57084 -108.44710 6.12374 2.51726 -108.35276 907.58137
2495.0000 -112.43815 -106.83805 5.60010 2.56112 -107.77343 944.02829
2500.0000 -112.69628 -106.35223 6.34405 2.60975 -107.13125 990.04583
FREEZING PROCESS: loop number 11 T-loop= 953.00000000000000
main_MD> interactions number 11 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.52783 2.07600 -0.58248
force_rgl> df(natom) 0.24981 0.48712 1.53803
2505.0000 -113.95912 -107.11583 6.84330 2.61583 -107.05085 1000.67695
2510.0000 -113.33325 -106.95835 6.37490 2.54439 -107.99446 921.49455
2515.0000 -112.75757 -108.10401 4.65356 2.63328 -106.82036 1007.71491
2520.0000 -115.23330 -109.92252 5.31078 2.41574 -109.69358 863.27360
2525.0000 -113.75732 -107.90106 5.85626 2.47219 -108.94801 886.45407
2530.0000 -110.10323 -104.61827 5.48496 2.66239 -106.43587 1001.07477
2535.0000 -112.15346 -105.87377 6.27969 2.73440 -105.48486 1033.73340
2540.0000 -111.90335 -104.00270 7.90065 2.75915 -105.15793 1037.82875
2545.0000 -112.53853 -106.22885 6.30968 2.73249 -105.51011 1060.49842
2550.0000 -112.01283 -105.92267 6.09016 2.70962 -105.81207 1031.73695
2555.0000 -112.87562 -106.30374 6.57189 2.74378 -105.36101 1068.86664
2560.0000 -113.37822 -106.25226 7.12596 2.65483 -106.53575 1007.74568
2565.0000 -113.44392 -107.03074 6.41319 2.59759 -107.29183 947.62636
2570.0000 -113.89289 -109.10566 4.78723 2.56780 -107.68528 954.86160
2575.0000 -115.32662 -109.44408 5.88255 2.44438 -109.31540 803.96028
2580.0000 -113.84148 -107.50848 6.33299 2.53010 -108.18315 910.31968
2585.0000 -114.67616 -110.09301 4.58316 2.46474 -109.04642 869.39154
2590.0000 -113.81280 -109.37079 4.44201 2.40542 -109.82996 844.96804
2595.0000 -113.34841 -107.47285 5.87557 2.54638 -107.96819 922.34047
2600.0000 -113.79619 -106.93743 6.85876 2.57324 -107.61344 946.12632
2605.0000 -113.60130 -107.35715 6.24415 2.62397 -106.94333 949.69158
2610.0000 -114.58223 -108.35943 6.22280 2.56796 -107.68313 960.81598
2615.0000 -113.35499 -108.03668 5.31832 2.52616 -108.23522 899.76023
2620.0000 -113.64406 -108.05896 5.58510 2.50629 -108.49759 922.60236
2625.0000 -115.35676 -108.88556 6.47120 2.53080 -108.17399 951.22991
2630.0000 -114.18619 -108.51245 5.67374 2.49438 -108.65489 932.06703
2635.0000 -114.28015 -108.16908 6.11107 2.55148 -107.90077 952.21691
2640.0000 -114.03789 -106.29872 7.73917 2.61149 -107.10816 960.17680
2645.0000 -112.83437 -106.22455 6.60982 2.63948 -106.73856 978.35356
2650.0000 -112.06044 -106.66341 5.39703 2.66175 -106.44436 985.46723
2655.0000 -113.81718 -106.21522 7.60196 2.68043 -106.19760 1025.69440
2660.0000 -112.48883 -106.54470 5.94413 2.73395 -105.49074 1098.31632
2665.0000 -113.36507 -107.39383 5.97123 2.61767 -107.02656 994.65775
2670.0000 -114.37118 -107.25450 7.11667 2.60095 -107.24736 961.36359
2675.0000 -113.07851 -107.97481 5.10371 2.57663 -107.56857 958.52049
2680.0000 -113.61101 -107.94580 5.66521 2.53769 -108.08293 912.26464
2685.0000 -112.00907 -105.12798 6.88109 2.62935 -106.87227 1006.43665
2690.0000 -113.16966 -107.11038 6.05928 2.69625 -105.98865 1020.83745
2695.0000 -113.07609 -107.02695 6.04914 2.57965 -107.52875 941.77128
2700.0000 -113.39575 -108.02026 5.37549 2.53058 -108.17689 911.11039
2705.0000 -114.24330 -108.66781 5.57548 2.59565 -107.31741 969.80110
2710.0000 -114.10150 -107.45989 6.64161 2.45794 -109.13621 858.23349
2715.0000 -113.68581 -106.82096 6.86485 2.60251 -107.22684 1022.07842
2720.0000 -114.29926 -107.93277 6.36649 2.57692 -107.56483 968.28969
2725.0000 -114.38363 -109.70422 4.67941 2.47373 -108.92774 906.11914
2730.0000 -114.27443 -108.83484 5.43959 2.40740 -109.80373 834.14183
2735.0000 -113.24957 -108.63767 4.61190 2.53375 -108.13496 955.67804
2740.0000 -112.98144 -106.75714 6.22430 2.60686 -107.16933 1001.17026
2745.0000 -114.19796 -106.88487 7.31309 2.58719 -107.42921 989.94145
2750.0000 -113.86393 -107.23446 6.62947 2.64551 -106.65883 988.16683
FREEZING PROCESS: loop number 12 T-loop= 928.00000000000000
main_MD> interactions number 12 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73334 3.93487 -0.62330
force_rgl> df(natom) -1.49262 5.34104 -4.32925
2755.0000 -112.00903 -106.93222 5.07682 2.54277 -108.01580 936.54117
2760.0000 -112.81615 -107.53443 5.28172 2.61564 -107.05334 967.21831
2765.0000 -113.30958 -107.34568 5.96391 2.58482 -107.46042 984.02054
2770.0000 -113.41069 -107.37603 6.03467 2.57212 -107.62822 935.90587
2775.0000 -112.75025 -106.62865 6.12160 2.59286 -107.35426 987.02487
2780.0000 -111.67319 -105.37323 6.29996 2.70239 -105.90756 1047.49363
2785.0000 -112.82617 -107.11003 5.71614 2.71932 -105.68398 1067.45483
2790.0000 -113.30506 -107.21642 6.08864 2.66720 -106.37235 1031.87356
2795.0000 -115.31327 -110.08355 5.22972 2.47865 -108.86265 894.34393
2800.0000 -113.05599 -107.91459 5.14140 2.53072 -108.17504 904.11167
2805.0000 -113.14945 -107.56900 5.58044 2.60734 -107.16305 979.66976
2810.0000 -115.15819 -109.24090 5.91729 2.54740 -107.95470 976.07926
2815.0000 -113.89789 -107.24336 6.65453 2.46111 -109.09433 897.76092
2820.0000 -113.03769 -108.15254 4.88515 2.61422 -107.07219 984.23587
2825.0000 -113.76801 -107.35618 6.41183 2.58524 -107.45495 977.40179
2830.0000 -112.81483 -107.33467 5.48016 2.55274 -107.88414 947.99726
2835.0000 -112.94563 -106.71850 6.22713 2.60744 -107.16167 983.96761
2840.0000 -113.91624 -107.93768 5.97856 2.63231 -106.83322 999.66816
2845.0000 -114.79223 -109.44226 5.34996 2.45964 -109.11383 892.68682
2850.0000 -114.54599 -108.28304 6.26296 2.48505 -108.77818 901.18495
2855.0000 -112.81123 -106.73366 6.07757 2.56268 -107.75293 946.48860
2860.0000 -113.93810 -107.26894 6.66916 2.66689 -106.37653 993.25152
2865.0000 -114.30406 -108.14229 6.16177 2.55496 -107.85479 973.28518
2870.0000 -113.00007 -107.39425 5.60582 2.53952 -108.05870 926.76138
2875.0000 -113.83554 -107.90255 5.93299 2.54904 -107.93298 938.49299
2880.0000 -113.73817 -107.63146 6.10671 2.57013 -107.65453 926.81290
2885.0000 -115.53514 -109.25597 6.27918 2.57658 -107.56930 906.04353
2890.0000 -113.02393 -107.84127 5.18266 2.47973 -108.84845 838.65074
2895.0000 -113.68766 -108.40171 5.28595 2.55795 -107.81541 917.29703
2900.0000 -114.88426 -109.77007 5.11419 2.46063 -109.10070 876.89148
2905.0000 -115.79480 -109.35608 6.43873 2.38889 -110.04827 835.73323
2910.0000 -114.96290 -109.48402 5.47888 2.46736 -109.01182 889.81988
2915.0000 -114.17207 -110.10153 4.07054 2.39277 -109.99699 783.59361
2920.0000 -116.34457 -109.67343 6.67115 2.42675 -109.54823 834.55910
2925.0000 -115.73530 -108.95235 6.78295 2.49715 -108.61844 917.15068
2930.0000 -114.64884 -108.22193 6.42691 2.48938 -108.72099 878.69724
2935.0000 -114.48001 -107.71531 6.76470 2.53178 -108.16096 899.03370
2940.0000 -112.66756 -106.67261 5.99494 2.54885 -107.93547 926.96470
2945.0000 -112.35988 -106.83577 5.52411 2.60972 -107.13158 1000.60267
2950.0000 -113.08744 -106.84909 6.23835 2.66584 -106.39041 1019.60468
2955.0000 -113.84292 -107.73604 6.10688 2.56455 -107.72816 922.70370
2960.0000 -114.21090 -109.20847 5.00244 2.49368 -108.66417 923.57420
2965.0000 -114.59425 -109.69801 4.89624 2.46698 -109.01683 855.67274
2970.0000 -115.57845 -110.41124 5.16721 2.34930 -110.57119 784.82210
2975.0000 -116.12223 -110.63717 5.48506 2.36984 -110.29986 837.16739
2980.0000 -115.31909 -109.98027 5.33882 2.39270 -109.99792 821.77328
2985.0000 -114.85301 -108.99844 5.85457 2.44900 -109.25434 831.15294
2990.0000 -113.96450 -108.78699 5.17751 2.46069 -109.09997 832.25437
2995.0000 -113.45811 -108.35181 5.10629 2.54028 -108.04877 925.84827
3000.0000 -114.70683 -109.41977 5.28706 2.49521 -108.64398 915.77365
FREEZING PROCESS: loop number 13 T-loop= 903.00000000000000
main_MD> interactions number 13 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96298 2.68951 -2.70281
force_rgl> df(natom) -0.18424 2.11882 2.29464
3005.0000 -113.16675 -107.38174 5.78502 2.51511 -108.38116 934.04010
3010.0000 -111.46474 -107.25898 4.20575 2.58976 -107.39527 954.10746
3015.0000 -113.99901 -108.56234 5.43667 2.57805 -107.54988 940.50782
3020.0000 -114.10755 -108.44699 5.66056 2.49942 -108.58841 939.26435
3025.0000 -113.82425 -108.56232 5.26193 2.53362 -108.13674 920.97409
3030.0000 -113.95271 -108.41775 5.53496 2.48838 -108.73423 870.44674
3035.0000 -115.49582 -109.87613 5.61970 2.46316 -109.06732 859.70159
3040.0000 -113.31521 -107.65608 5.65913 2.45206 -109.21394 851.54033
3045.0000 -114.30584 -107.56105 6.74479 2.60447 -107.20090 970.77694
3050.0000 -115.24038 -108.77288 6.46750 2.50733 -108.48389 911.49574
3055.0000 -112.94276 -106.99077 5.95199 2.54123 -108.03616 933.66847
3060.0000 -112.07998 -107.34520 4.73478 2.60692 -107.16852 949.10039
3065.0000 -113.81118 -107.87312 5.93806 2.56965 -107.66083 944.43376
3070.0000 -113.05364 -106.79729 6.25635 2.57401 -107.60329 972.75168
3075.0000 -113.77297 -107.00534 6.76763 2.59843 -107.28063 955.67400
3080.0000 -115.23043 -108.88338 6.34704 2.51049 -108.44217 882.15347
3085.0000 -113.24337 -107.85984 5.38352 2.50431 -108.52385 924.52851
3090.0000 -112.36862 -106.41418 5.95444 2.57955 -107.53002 929.98129
3095.0000 -113.73288 -107.59072 6.14216 2.59761 -107.29148 953.22718
3100.0000 -114.54417 -109.50321 5.04096 2.48417 -108.78982 910.56517
3105.0000 -115.50186 -110.27414 5.22772 2.42710 -109.54351 832.81248
3110.0000 -115.69140 -110.19857 5.49283 2.39727 -109.93761 815.75180
3115.0000 -113.81375 -109.16896 4.64479 2.45632 -109.15763 841.99502
3120.0000 -114.51983 -106.86367 7.65616 2.51201 -108.42212 895.89190
3125.0000 -113.48375 -107.33528 6.14848 2.62528 -106.92603 969.72709
3130.0000 -112.76813 -107.76696 5.00117 2.57628 -107.57331 926.92280
3135.0000 -112.85696 -107.78086 5.07610 2.54991 -107.92149 947.31489
3140.0000 -113.15466 -108.19763 4.95703 2.62378 -106.94592 950.73382
3145.0000 -114.06191 -109.19217 4.86974 2.48495 -108.77944 858.49255
3150.0000 -114.23585 -108.38956 5.84629 2.50472 -108.51838 893.07302
3155.0000 -113.52673 -108.36066 5.16608 2.51345 -108.40302 906.91342
3160.0000 -113.24322 -107.07930 6.16391 2.53900 -108.06568 920.37636
3165.0000 -112.28262 -105.93688 6.34574 2.69320 -106.02905 1000.84000
3170.0000 -113.23446 -108.17480 5.05966 2.59365 -107.34376 936.43021
3175.0000 -114.50491 -108.30123 6.20368 2.48451 -108.78529 917.66716
3180.0000 -114.26412 -108.26281 6.00131 2.51037 -108.44373 906.60571
3185.0000 -113.81641 -108.48767 5.32875 2.53335 -108.14028 904.15343
3190.0000 -113.97296 -108.90293 5.07004 2.48842 -108.73370 884.96412
3195.0000 -115.43445 -110.19293 5.24152 2.41373 -109.72014 829.90115
3200.0000 -114.54989 -108.79188 5.75801 2.40055 -109.89418 839.35256
3205.0000 -115.08269 -109.13661 5.94608 2.48146 -108.82554 896.45742
3210.0000 -114.61807 -109.59708 5.02098 2.52362 -108.26879 929.95413
3215.0000 -114.89862 -109.42553 5.47309 2.45480 -109.17775 857.93524
3220.0000 -115.30663 -110.72994 4.57669 2.38633 -110.08199 776.84468
3225.0000 -114.55787 -108.86121 5.69665 2.39112 -110.01884 840.02306
3230.0000 -114.70237 -109.96315 4.73923 2.40959 -109.77484 870.15930
3235.0000 -115.66064 -111.00483 4.65581 2.34463 -110.63287 794.05093
3240.0000 -114.07575 -108.90923 5.16653 2.45744 -109.14282 892.99768
3245.0000 -113.62968 -108.41477 5.21491 2.50510 -108.51333 891.23042
3250.0000 -114.63553 -108.99824 5.63729 2.50413 -108.52618 893.74399
FREEZING PROCESS: loop number 14 T-loop= 878.00000000000000
main_MD> interactions number 14 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69522 -1.26217 2.02427
force_rgl> df(natom) 0.44017 0.82393 -3.24683
3255.0000 -113.22538 -107.73232 5.49307 2.50918 -108.45954 860.45783
3260.0000 -112.78570 -105.22314 7.56256 2.68707 -106.10991 1013.46894
3265.0000 -113.35820 -108.64493 4.71327 2.56613 -107.70735 958.01727
3270.0000 -115.23243 -110.39985 4.83258 2.39633 -109.94996 812.92162
3275.0000 -115.81176 -110.09902 5.71275 2.35709 -110.46828 771.02269
3280.0000 -114.96138 -108.85472 6.10666 2.42885 -109.52041 840.56499
3285.0000 -113.17430 -108.04311 5.13118 2.54855 -107.93953 923.91032
3290.0000 -114.17799 -108.42285 5.75514 2.53163 -108.16292 894.33059
3295.0000 -115.44760 -110.57513 4.87248 2.44062 -109.36505 843.22215
3300.0000 -113.84984 -108.61682 5.23302 2.38507 -110.09871 786.50326
3305.0000 -114.17988 -109.81073 4.36915 2.44870 -109.25832 862.04847
3310.0000 -114.97924 -109.87773 5.10151 2.38064 -110.15719 779.69027
3315.0000 -114.55393 -109.03799 5.51594 2.42737 -109.54004 854.13444
3320.0000 -113.06025 -107.21135 5.84891 2.55882 -107.80391 946.91022
3325.0000 -115.06428 -110.39301 4.67127 2.48931 -108.72198 874.98397
3330.0000 -114.75733 -108.51164 6.24568 2.38841 -110.05454 837.57798
3335.0000 -112.43483 -107.46696 4.96787 2.51331 -108.40489 890.89734
3340.0000 -113.54576 -107.51665 6.02911 2.65165 -106.57773 1002.50176
3345.0000 -114.95180 -109.47415 5.47765 2.50648 -108.49519 912.89813
3350.0000 -115.23038 -110.08184 5.14855 2.40051 -109.89479 840.26984
3355.0000 -115.87994 -110.75018 5.12975 2.35384 -110.51111 791.36556
3360.0000 -115.19655 -110.28613 4.91042 2.32716 -110.86360 755.09889
3365.0000 -114.16261 -109.04777 5.11484 2.40246 -109.86903 845.35471
3370.0000 -115.68164 -109.94701 5.73463 2.42564 -109.56283 848.57294
3375.0000 -114.64686 -108.50408 6.14278 2.41747 -109.67076 845.45422
3380.0000 -113.62898 -107.59579 6.03319 2.52312 -108.27537 885.83904
3385.0000 -113.22968 -107.77682 5.45286 2.57756 -107.55632 913.38895
3390.0000 -115.10519 -108.94241 6.16278 2.54254 -108.01888 933.34791
3395.0000 -114.36510 -108.59428 5.77082 2.51708 -108.35518 923.35358
3400.0000 -115.01468 -107.52641 7.48827 2.57476 -107.59330 951.63858
3405.0000 -114.93355 -109.12379 5.80976 2.51193 -108.42322 906.31311
3410.0000 -113.01423 -107.94625 5.06798 2.50977 -108.45164 902.69851
3415.0000 -114.04283 -109.15899 4.88384 2.45923 -109.11925 854.38802
3420.0000 -114.20975 -108.82118 5.38856 2.45057 -109.23360 883.10938
3425.0000 -113.63279 -107.76917 5.86363 2.49045 -108.70684 889.70983
3430.0000 -114.53014 -108.91733 5.61281 2.52847 -108.20473 927.19873
3435.0000 -113.98553 -109.16217 4.82335 2.45525 -109.17171 850.58907
3440.0000 -115.10623 -109.06777 6.03846 2.41356 -109.72236 851.35052
3445.0000 -114.41191 -110.36695 4.04497 2.41849 -109.65735 816.64798
3450.0000 -114.93275 -110.33167 4.60109 2.35688 -110.47106 799.94846
3455.0000 -114.14002 -108.47183 5.66819 2.43779 -109.40233 863.31913
3460.0000 -113.67241 -109.02331 4.64911 2.51046 -108.44254 930.62405
3465.0000 -114.50359 -108.21347 6.29012 2.53950 -108.05907 940.27159
3470.0000 -115.09233 -109.47601 5.61632 2.48808 -108.73812 901.78555
3475.0000 -114.14916 -109.32401 4.82515 2.47615 -108.89576 857.99937
3480.0000 -114.30200 -108.93469 5.36732 2.48345 -108.79935 858.85185
3485.0000 -113.84943 -108.32984 5.51959 2.48233 -108.81407 925.20001
3490.0000 -115.62795 -109.50903 6.11892 2.44486 -109.30906 844.95434
3495.0000 -114.89509 -109.59471 5.30038 2.39925 -109.91136 803.78820
3500.0000 -114.40961 -109.32874 5.08086 2.47763 -108.87624 890.69524
FREEZING PROCESS: loop number 15 T-loop= 853.00000000000000
main_MD> interactions number 15 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28391 2.41478 4.38023
force_rgl> df(natom) 1.11123 -4.31493 0.92769
3505.0000 -114.47397 -108.77785 5.69613 2.44983 -109.24334 916.41675
3510.0000 -114.09163 -109.28193 4.80970 2.43673 -109.41639 824.81761
3515.0000 -114.46616 -107.97010 6.49606 2.50041 -108.57534 904.53443
3520.0000 -114.29779 -109.34664 4.95115 2.48103 -108.83125 868.87673
3525.0000 -115.06194 -110.11049 4.95145 2.41408 -109.71550 838.20754
3530.0000 -114.68300 -109.94646 4.73655 2.36761 -110.32930 774.89475
3535.0000 -114.31776 -109.86731 4.45045 2.40282 -109.86431 816.66961
3540.0000 -114.17515 -109.17420 5.00095 2.42324 -109.59455 830.26968
3545.0000 -114.90499 -109.92735 4.97763 2.44017 -109.37098 852.60436
3550.0000 -114.90675 -109.49644 5.41032 2.44092 -109.36102 863.78176
3555.0000 -115.75028 -109.81068 5.93961 2.40316 -109.85970 831.46369
3560.0000 -114.57175 -109.30435 5.26739 2.43291 -109.46688 840.97700
3565.0000 -114.14853 -108.76856 5.37997 2.45478 -109.17801 862.58234
3570.0000 -115.41927 -110.16500 5.25427 2.44847 -109.26131 850.65114
3575.0000 -114.76600 -108.95052 5.81547 2.48038 -108.83992 905.11907
3580.0000 -113.87768 -109.31686 4.56082 2.50361 -108.53299 881.39621
3585.0000 -113.33634 -108.08134 5.25499 2.53535 -108.11388 910.18884
3590.0000 -114.30381 -108.50358 5.80023 2.54644 -107.96738 919.25601
3595.0000 -114.83508 -108.10087 6.73422 2.47926 -108.85459 855.13046
3600.0000 -115.84887 -110.66002 5.18885 2.47885 -108.86002 903.97332
3605.0000 -115.49730 -108.90435 6.59295 2.47154 -108.95665 895.86217
3610.0000 -115.15937 -108.97377 6.18560 2.43957 -109.37887 870.86215
3615.0000 -114.35902 -109.67385 4.68517 2.40301 -109.86178 824.21885
3620.0000 -115.85043 -110.66890 5.18153 2.35678 -110.47237 792.78794
3625.0000 -114.39777 -109.00119 5.39659 2.39236 -110.00239 766.73271
3630.0000 -114.59376 -109.96326 4.63050 2.45948 -109.11588 826.35335
3635.0000 -113.85113 -108.65657 5.19456 2.43971 -109.37701 841.06058
3640.0000 -112.78021 -107.94012 4.84009 2.52512 -108.24899 922.21978
3645.0000 -114.37285 -108.87587 5.49698 2.53781 -108.08136 932.48673
3650.0000 -113.94799 -107.30965 6.63834 2.53991 -108.05362 925.32637
3655.0000 -113.91841 -108.55624 5.36216 2.56236 -107.75712 951.44778
3660.0000 -115.34258 -108.44442 6.89816 2.51113 -108.43373 864.59959
3665.0000 -113.63925 -108.11412 5.52513 2.53517 -108.11616 942.21747
3670.0000 -114.44772 -108.30130 6.14641 2.55777 -107.81769 942.24306
3675.0000 -113.30317 -106.17572 7.12745 2.59239 -107.36052 980.37706
3680.0000 -114.11298 -107.48072 6.63225 2.64910 -106.61149 1031.14743
3685.0000 -113.72678 -108.56277 5.16400 2.53738 -108.08703 895.28809
3690.0000 -114.66359 -109.84423 4.81936 2.45295 -109.20219 872.41915
3695.0000 -115.67953 -109.30898 6.37055 2.41433 -109.71222 856.32260
3700.0000 -115.13634 -110.77753 4.35882 2.37865 -110.18352 806.15216
3705.0000 -116.83348 -111.37187 5.46161 2.33651 -110.74004 781.05363
3710.0000 -114.24670 -108.63641 5.61028 2.39747 -109.93496 829.83093
3715.0000 -113.17596 -108.18842 4.98754 2.51560 -108.37465 921.96700
3720.0000 -114.36084 -108.21759 6.14325 2.53277 -108.14787 950.12574
3725.0000 -114.99720 -110.05597 4.94123 2.50369 -108.53205 870.53129
3730.0000 -113.50891 -107.82060 5.68832 2.44488 -109.30880 863.65813
3735.0000 -113.14849 -107.92451 5.22398 2.49583 -108.63580 883.75529
3740.0000 -115.06495 -110.37999 4.68496 2.46907 -108.98921 889.42261
3745.0000 -114.33918 -109.16419 5.17499 2.41131 -109.75208 797.84966
3750.0000 -114.36378 -109.12398 5.23980 2.43491 -109.44046 873.04446
FREEZING PROCESS: loop number 16 T-loop= 828.00000000000000
main_MD> interactions number 16 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.64614 -0.38661 -0.32181
force_rgl> df(natom) 2.26836 2.99089 -2.30684
3755.0000 -114.47401 -109.31715 5.15686 2.43601 -109.42593 836.38705
3760.0000 -114.11399 -109.02377 5.09022 2.42908 -109.51743 862.86743
3765.0000 -114.80753 -109.57327 5.23426 2.49290 -108.67455 901.18647
3770.0000 -115.43283 -110.26177 5.17105 2.40934 -109.77810 833.80688
3775.0000 -113.84690 -109.09802 4.74888 2.44470 -109.31107 868.06435
3780.0000 -114.64584 -108.90192 5.74392 2.43997 -109.37354 840.62124
3785.0000 -114.22491 -108.95205 5.27286 2.46955 -108.98286 867.88771
3790.0000 -116.14379 -110.25096 5.89283 2.41350 -109.72314 835.64996
3795.0000 -115.70859 -109.74030 5.96829 2.35520 -110.49315 790.76916
3800.0000 -113.67391 -108.85692 4.81699 2.43938 -109.38134 862.40094
3805.0000 -114.22147 -109.29805 4.92342 2.44159 -109.35221 850.46104
3810.0000 -115.32048 -109.43844 5.88204 2.46399 -109.05635 887.20364
3815.0000 -115.50938 -110.75217 4.75721 2.37416 -110.24283 820.85272
3820.0000 -115.28343 -110.07335 5.21008 2.31588 -111.01255 754.63989
3825.0000 -115.54047 -110.72535 4.81512 2.35815 -110.45429 811.62460
3830.0000 -115.25401 -110.46421 4.78980 2.31053 -111.08314 732.41483
3835.0000 -114.30162 -109.45881 4.84280 2.40140 -109.88295 808.98805
3840.0000 -114.91140 -108.89966 6.01175 2.48974 -108.71620 894.70687
3845.0000 -115.12004 -109.15810 5.96194 2.47308 -108.93628 863.94679
3850.0000 -114.33154 -109.73048 4.60106 2.42772 -109.53543 830.17685
3855.0000 -115.27406 -111.40432 3.86973 2.38968 -110.03776 823.32529
3860.0000 -115.21152 -110.36710 4.84442 2.29131 -111.33698 737.20344
3865.0000 -114.46574 -110.36783 4.09790 2.36107 -110.41563 792.96163
3870.0000 -114.81518 -108.88976 5.92542 2.49533 -108.64246 915.68282
3875.0000 -115.10270 -109.59135 5.51135 2.46305 -109.06881 847.79210
3880.0000 -115.11289 -110.03273 5.08016 2.41136 -109.75146 795.45178
3885.0000 -114.75129 -111.01057 3.74072 2.38136 -110.14765 824.41375
3890.0000 -115.44535 -110.39734 5.04801 2.34773 -110.59185 783.81189
3895.0000 -114.17563 -109.03928 5.13635 2.42184 -109.61299 854.28238
3900.0000 -114.76988 -109.25271 5.51718 2.41506 -109.70261 841.16480
3905.0000 -116.02473 -110.60536 5.41936 2.41478 -109.70628 859.82451
3910.0000 -115.97395 -110.48547 5.48848 2.33705 -110.73292 802.40715
3915.0000 -115.02568 -110.23667 4.78901 2.35575 -110.48597 776.28813
3920.0000 -114.33676 -108.51617 5.82059 2.38911 -110.04539 807.16303
3925.0000 -114.72329 -109.62688 5.09642 2.45608 -109.16075 877.00625
3930.0000 -114.91810 -109.96449 4.95361 2.41029 -109.76564 805.39218
3935.0000 -115.43907 -111.00227 4.43679 2.36896 -110.31150 776.07009
3940.0000 -116.44408 -112.88619 3.55790 2.25562 -111.80839 712.94919
3945.0000 -115.83712 -110.37833 5.45879 2.25246 -111.85017 708.13306
3950.0000 -116.25288 -110.03724 6.21564 2.35822 -110.45328 781.47970
3955.0000 -116.59144 -111.32554 5.26590 2.34900 -110.57511 815.49934
3960.0000 -115.73559 -111.17199 4.56360 2.29788 -111.25024 757.97326
3965.0000 -114.20727 -109.32322 4.88406 2.34042 -110.68845 767.01884
3970.0000 -114.28368 -109.34216 4.94153 2.41933 -109.64616 847.78510
3975.0000 -115.08147 -110.60149 4.47998 2.40630 -109.81830 811.49954
3980.0000 -115.15795 -110.25605 4.90190 2.39460 -109.97282 803.36824
3985.0000 -114.05212 -109.41189 4.64023 2.44841 -109.26206 810.29690
3990.0000 -113.57298 -108.61568 4.95730 2.45106 -109.22710 868.84673
3995.0000 -114.43354 -109.56821 4.86534 2.51495 -108.38329 919.34536
4000.0000 -115.70118 -110.57885 5.12234 2.31687 -110.99946 734.10771
FREEZING PROCESS: loop number 17 T-loop= 803.00000000000000
main_MD> interactions number 17 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09903 -3.17304 -5.83514
force_rgl> df(natom) 0.62347 1.88786 -0.95990
4005.0000 -115.87898 -111.20353 4.67546 2.35731 -110.46535 806.30258
4010.0000 -115.20222 -110.94233 4.25989 2.32671 -110.86949 765.85464
4015.0000 -115.90709 -111.46224 4.44485 2.31215 -111.06186 750.38243
4020.0000 -115.02597 -111.43063 3.59534 2.29178 -111.33084 759.16971
4025.0000 -115.62275 -111.08834 4.53441 2.30981 -111.09276 746.46576
4030.0000 -116.25263 -110.79194 5.46069 2.30806 -111.11583 755.36670
4035.0000 -114.63941 -109.50968 5.12973 2.35667 -110.47384 796.12567
4040.0000 -113.61646 -107.92977 5.68668 2.52133 -108.29900 945.89221
4045.0000 -113.67173 -108.12671 5.54502 2.56264 -107.75339 986.83881
4050.0000 -114.97411 -109.79024 5.18387 2.46756 -109.00918 865.15737
4055.0000 -115.61687 -110.07120 5.54567 2.41279 -109.73251 792.83135
4060.0000 -113.90514 -108.60754 5.29759 2.47425 -108.92085 820.84600
4065.0000 -114.45242 -109.27585 5.17656 2.44606 -109.29321 839.00887
4070.0000 -114.66066 -109.10268 5.55797 2.41493 -109.70433 801.02627
4075.0000 -114.97195 -110.25504 4.71690 2.45751 -109.14190 848.39626
4080.0000 -115.77860 -110.07435 5.70425 2.35772 -110.45986 787.13506
4085.0000 -115.39673 -109.44315 5.95358 2.41518 -109.70100 836.05352
4090.0000 -114.88133 -110.14595 4.73538 2.43282 -109.46799 834.07230
4095.0000 -115.86585 -111.33985 4.52600 2.32208 -110.93071 754.30093
4100.0000 -116.58856 -111.60464 4.98392 2.27717 -111.52380 732.50060
4105.0000 -115.40530 -109.39106 6.01424 2.41166 -109.74756 838.78179
4110.0000 -113.94625 -108.38888 5.55737 2.46643 -109.02406 856.77035
4115.0000 -114.90047 -109.90032 5.00014 2.42260 -109.60298 813.26847
4120.0000 -115.74816 -110.29690 5.45126 2.38468 -110.10390 820.66225
4125.0000 -115.19570 -110.42931 4.76639 2.35717 -110.46717 804.31357
4130.0000 -116.46847 -111.69177 4.77670 2.28164 -111.46481 704.14833
4135.0000 -115.69835 -111.18256 4.51578 2.30205 -111.19517 778.60823
4140.0000 -115.99362 -110.73899 5.25463 2.31034 -111.08565 745.32082
4145.0000 -115.74470 -110.22033 5.52438 2.31799 -110.98469 754.35164
4150.0000 -115.51903 -109.61445 5.90458 2.39586 -109.95617 783.92107
4155.0000 -115.02377 -110.02149 5.00228 2.40097 -109.88868 824.29331
4160.0000 -115.75498 -110.35472 5.40026 2.34602 -110.61448 792.39023
4165.0000 -115.60241 -110.62826 4.97415 2.35622 -110.47971 794.91652
4170.0000 -115.91026 -111.67158 4.23868 2.31741 -110.99238 764.67040
4175.0000 -115.59576 -110.96556 4.63020 2.25690 -111.79147 713.24697
4180.0000 -115.26255 -109.92636 5.33619 2.37939 -110.17369 811.52897
4185.0000 -115.63586 -110.72117 4.91470 2.32221 -110.92891 759.85421
4190.0000 -114.57375 -108.73604 5.83771 2.36171 -110.40728 787.33117
4195.0000 -114.66178 -109.49799 5.16379 2.46083 -109.09803 850.32827
4200.0000 -115.63670 -110.50544 5.13126 2.43097 -109.49249 857.97987
4205.0000 -115.40498 -111.43827 3.96670 2.26437 -111.69288 715.73965
4210.0000 -116.37403 -111.27242 5.10161 2.27177 -111.59512 744.25651
4215.0000 -116.07330 -110.81500 5.25830 2.34036 -110.68915 775.43677
4220.0000 -115.40573 -111.04554 4.36019 2.29016 -111.35220 768.02479
4225.0000 -114.97797 -110.17747 4.80051 2.33801 -110.72030 789.09549
4230.0000 -116.47374 -109.57965 6.89409 2.41254 -109.73589 848.34437
4235.0000 -114.08010 -108.59718 5.48291 2.45526 -109.17170 850.83347
4240.0000 -112.70807 -107.95389 4.75418 2.52531 -108.24641 899.68761
4245.0000 -115.10680 -109.54187 5.56494 2.48158 -108.82405 900.13863
4250.0000 -116.10652 -109.74430 6.36222 2.43395 -109.45308 839.62378
FREEZING PROCESS: loop number 18 T-loop= 778.00000000000000
main_MD> interactions number 18 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53756 -1.73539 -3.25169
force_rgl> df(natom) -0.39030 1.44609 -3.85649
4255.0000 -115.34630 -110.02610 5.32020 2.39976 -109.90468 830.65438
4260.0000 -115.49408 -110.46870 5.02537 2.34737 -110.59662 764.32634
4265.0000 -116.18037 -111.99406 4.18631 2.33080 -110.81548 801.01275
4270.0000 -116.41525 -111.97447 4.44078 2.29176 -111.33115 759.38181
4275.0000 -115.45913 -110.70828 4.75085 2.27839 -111.50768 725.23654
4280.0000 -117.01621 -112.08697 4.92924 2.30073 -111.21269 761.62605
4285.0000 -115.46553 -110.04397 5.42155 2.38897 -110.04721 777.17228
4290.0000 -114.67215 -109.81340 4.85875 2.39800 -109.92791 806.19971
4295.0000 -115.67464 -110.55986 5.11478 2.36816 -110.32208 772.88997
4300.0000 -115.23140 -110.22336 5.00803 2.36268 -110.39438 775.47118
4305.0000 -116.44731 -110.29055 6.15676 2.35207 -110.53458 800.37954
4310.0000 -116.51754 -111.40153 5.11601 2.33959 -110.69938 771.10129
4315.0000 -116.14707 -111.66685 4.48021 2.26778 -111.64776 728.02679
4320.0000 -115.96616 -111.16904 4.79712 2.28154 -111.46613 725.01359
4325.0000 -116.13662 -110.97246 5.16416 2.30551 -111.14955 767.72022
4330.0000 -117.95514 -112.72474 5.23040 2.23691 -112.05555 737.21447
4335.0000 -114.72544 -110.44552 4.27991 2.29749 -111.25541 730.31367
4340.0000 -115.18364 -109.59550 5.58814 2.43437 -109.44753 881.94083
4345.0000 -114.49623 -110.81609 3.68013 2.36815 -110.32214 803.67488
4350.0000 -114.79342 -110.14612 4.64730 2.37960 -110.17094 783.17204
4355.0000 -115.64811 -111.14236 4.50575 2.30349 -111.17622 793.39420
4360.0000 -115.59414 -110.88282 4.71132 2.34750 -110.59490 803.61986
4365.0000 -114.71595 -110.42740 4.28855 2.29669 -111.26594 724.70319
4370.0000 -115.30759 -111.09051 4.21708 2.33786 -110.72217 771.33994
4375.0000 -115.83478 -110.61713 5.21765 2.30858 -111.10895 763.29696
4380.0000 -115.75353 -111.94402 3.80951 2.30800 -111.11662 770.38973
4385.0000 -116.09934 -111.93829 4.16105 2.25159 -111.86165 727.27099
4390.0000 -115.42355 -110.43437 4.98918 2.32342 -110.91297 753.24693
4395.0000 -115.99036 -109.95890 6.03147 2.34867 -110.57952 776.99484
4400.0000 -115.16691 -110.56066 4.60625 2.31682 -111.00010 759.10152
4405.0000 -115.91348 -110.72221 5.19127 2.31004 -111.08962 739.35759
4410.0000 -115.34068 -110.28985 5.05084 2.39136 -110.01560 816.67463
4415.0000 -114.83368 -110.27302 4.56066 2.37850 -110.18548 812.75557
4420.0000 -116.14876 -111.78643 4.36233 2.30713 -111.12806 750.66296
4425.0000 -115.27858 -111.22914 4.04944 2.30237 -111.19103 741.39659
4430.0000 -115.44075 -110.82324 4.61751 2.32131 -110.94075 769.02696
4435.0000 -115.19407 -109.57663 5.61745 2.36754 -110.33020 810.00737
4440.0000 -115.28793 -110.25520 5.03273 2.42628 -109.55434 828.39476
4445.0000 -114.49932 -109.42128 5.07804 2.35990 -110.43118 779.86129
4450.0000 -114.83021 -109.27452 5.55569 2.38609 -110.08523 828.82493
4455.0000 -115.38030 -110.79573 4.58457 2.35449 -110.50260 805.46640
4460.0000 -116.10441 -112.32792 3.77649 2.31187 -111.06554 725.06579
4465.0000 -115.77342 -111.47389 4.29953 2.22921 -112.15730 678.03920
4470.0000 -114.81928 -109.53303 5.28625 2.35258 -110.52781 755.38947
4475.0000 -114.57287 -109.57952 4.99335 2.40094 -109.88908 833.78726
4480.0000 -115.42047 -110.72360 4.69687 2.42082 -109.62646 845.49911
4485.0000 -115.89357 -110.73165 5.16192 2.33134 -110.80833 769.12749
4490.0000 -115.91234 -111.12709 4.78526 2.31383 -111.03965 768.40539
4495.0000 -115.20756 -110.43406 4.77350 2.34138 -110.67576 790.30299
4500.0000 -114.93829 -110.18404 4.75425 2.40002 -109.90120 814.78965
FREEZING PROCESS: loop number 19 T-loop= 753.00000000000000
main_MD> interactions number 19 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17576 1.30734 2.31792
force_rgl> df(natom) -4.61169 0.05016 -0.42854
4505.0000 -115.91566 -111.17350 4.74216 2.35625 -110.47929 796.61734
4510.0000 -115.61524 -110.95520 4.66004 2.33768 -110.72454 798.18346
4515.0000 -115.08801 -109.67040 5.41761 2.32452 -110.89846 751.37838
4520.0000 -114.21688 -107.80958 6.40730 2.49188 -108.68802 848.84968
4525.0000 -115.82109 -110.69467 5.12642 2.43101 -109.49186 808.74369
4530.0000 -114.52496 -109.79267 4.73229 2.37180 -110.27393 798.60822
4535.0000 -115.13187 -110.70892 4.42294 2.34020 -110.69125 756.91106
4540.0000 -116.54126 -111.02416 5.51709 2.35377 -110.51204 798.94114
4545.0000 -115.82615 -110.87116 4.95500 2.40624 -109.81912 868.13872
4550.0000 -114.95452 -109.80194 5.15258 2.34326 -110.65091 792.58907
4555.0000 -115.48364 -111.52448 3.95916 2.35116 -110.54659 787.87230
4560.0000 -115.37122 -110.97735 4.39387 2.24905 -111.89524 689.90869
4565.0000 -115.47802 -111.54831 3.92971 2.26160 -111.72949 722.20991
4570.0000 -116.22468 -111.54492 4.67976 2.30777 -111.11965 764.08363
4575.0000 -115.98099 -110.81826 5.16273 2.34988 -110.56350 795.30468
4580.0000 -114.35692 -110.12011 4.23681 2.38123 -110.14941 823.41224
4585.0000 -115.17386 -110.48385 4.69000 2.35631 -110.47856 777.47065
4590.0000 -114.55685 -109.25727 5.29957 2.40275 -109.86517 793.47333
4595.0000 -114.79433 -110.19587 4.59846 2.38854 -110.05289 800.09030
4600.0000 -116.57822 -110.68682 5.89140 2.35817 -110.45392 779.29784
4605.0000 -115.24739 -110.12104 5.12636 2.35528 -110.49215 784.96666
4610.0000 -115.45855 -110.50417 4.95438 2.37087 -110.28628 811.65645
4615.0000 -114.64677 -109.00743 5.63933 2.37437 -110.24008 814.10200
4620.0000 -114.83259 -110.62586 4.20673 2.39934 -109.91017 814.44235
4625.0000 -115.32620 -110.38991 4.93629 2.36328 -110.38653 799.09564
4630.0000 -114.90980 -109.44492 5.46488 2.39925 -109.91147 853.49456
4635.0000 -115.41301 -110.25141 5.16160 2.39135 -110.01569 811.64788
4640.0000 -116.88022 -112.77620 4.10402 2.25325 -111.83978 701.53767
4645.0000 -115.08644 -110.46916 4.61728 2.27159 -111.59745 715.44983
4650.0000 -115.22152 -111.16195 4.05957 2.38112 -110.15090 801.08124
4655.0000 -116.50240 -111.22085 5.28155 2.31264 -111.05538 747.77152
4660.0000 -115.67161 -112.15317 3.51845 2.28089 -111.47471 713.52996
4665.0000 -115.46785 -111.34493 4.12292 2.31665 -111.00235 731.80951
4670.0000 -115.54813 -110.60188 4.94625 2.34098 -110.68099 803.96533
4675.0000 -115.59897 -111.67919 3.91978 2.31651 -111.00415 795.37003
4680.0000 -116.93966 -111.42156 5.51809 2.27489 -111.55395 718.34964
4685.0000 -117.33571 -112.96637 4.36934 2.21185 -112.38658 647.95979
4690.0000 -116.73026 -111.16821 5.56205 2.24290 -111.97648 715.15910
4695.0000 -116.01919 -111.39896 4.62023 2.32239 -110.92651 784.24016
4700.0000 -116.78430 -111.51615 5.26814 2.30035 -111.21760 776.15650
4705.0000 -115.86160 -111.43219 4.42940 2.27684 -111.52822 736.27219
4710.0000 -115.72639 -109.22572 6.50066 2.36883 -110.31313 809.32089
4715.0000 -114.21563 -108.88267 5.33295 2.44269 -109.33766 867.22462
4720.0000 -115.64235 -111.27493 4.36743 2.37028 -110.29397 786.90177
4725.0000 -114.12855 -109.68423 4.44431 2.39166 -110.01159 794.10146
4730.0000 -115.86036 -111.88625 3.97411 2.32406 -110.90453 752.43074
4735.0000 -116.60704 -111.80628 4.80075 2.25686 -111.79207 725.31560
4740.0000 -116.88758 -112.74238 4.14520 2.25473 -111.82018 730.88358
4745.0000 -116.54944 -113.13322 3.41621 2.18989 -112.67651 673.33953
4750.0000 -115.95625 -111.53190 4.42435 2.32205 -110.93105 786.30800
FREEZING PROCESS: loop number 20 T-loop= 728.00000000000000
main_MD> interactions number 20 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.47127 0.73661 1.03340
force_rgl> df(natom) 6.53092 2.86342 -0.73093
4755.0000 -115.15163 -110.38301 4.76862 2.29955 -111.22816 755.59334
4760.0000 -115.99891 -112.04203 3.95688 2.28467 -111.42475 740.94669
4765.0000 -117.50375 -112.88446 4.61929 2.18947 -112.68212 652.48696
4770.0000 -116.27395 -112.06999 4.20396 2.24599 -111.93560 711.28183
4775.0000 -116.24873 -111.68295 4.56578 2.24548 -111.94241 681.06342
4780.0000 -115.73764 -111.12621 4.61143 2.25684 -111.79229 680.41759
4785.0000 -115.24091 -112.09369 3.14722 2.27154 -111.59819 692.79541
4790.0000 -115.65411 -110.86616 4.78795 2.26484 -111.68662 664.59824
4795.0000 -116.31662 -111.62136 4.69526 2.31566 -111.01540 765.66615
4800.0000 -115.32973 -110.64349 4.68624 2.34829 -110.58445 792.17908
4805.0000 -115.42922 -109.66775 5.76147 2.40145 -109.88232 814.49069
4810.0000 -114.52157 -109.86725 4.65433 2.37926 -110.17543 792.50205
4815.0000 -115.43190 -111.39938 4.03252 2.34418 -110.63870 745.93365
4820.0000 -116.36344 -112.03360 4.32983 2.28024 -111.48320 738.74858
4825.0000 -116.57564 -111.83750 4.73814 2.22663 -112.19137 705.06549
4830.0000 -116.96877 -112.64646 4.32231 2.22494 -112.21365 660.92530
4835.0000 -115.40391 -111.01990 4.38401 2.25846 -111.77096 700.37589
4840.0000 -115.87914 -110.90635 4.97280 2.27788 -111.51437 733.83260
4845.0000 -115.61830 -110.97719 4.64111 2.26675 -111.66138 731.84092
4850.0000 -115.75622 -110.74708 5.00914 2.31839 -110.97936 745.80788
4855.0000 -115.25475 -111.24965 4.00510 2.32217 -110.92947 772.23256
4860.0000 -115.41137 -111.26123 4.15015 2.23559 -112.07299 686.14936
4865.0000 -115.19704 -109.99712 5.19992 2.32452 -110.89835 761.17049
4870.0000 -116.08593 -111.07224 5.01369 2.33777 -110.72344 795.42618
4875.0000 -117.13162 -112.60659 4.52503 2.29104 -111.34066 718.80095
4880.0000 -117.51296 -113.37248 4.14048 2.13321 -113.42512 627.55292
4885.0000 -117.48506 -113.58176 3.90329 2.14689 -113.24454 652.58670
4890.0000 -116.91722 -112.31194 4.60528 2.14328 -113.29224 641.69233
4895.0000 -116.22390 -112.49904 3.72485 2.18421 -112.75157 656.03986
4900.0000 -116.55469 -111.85959 4.69509 2.23376 -112.09718 680.51971
4905.0000 -115.64386 -110.77969 4.86417 2.29678 -111.26478 748.12758
4910.0000 -114.88322 -110.34772 4.53551 2.37696 -110.20581 783.64620
4915.0000 -115.17277 -110.71274 4.46003 2.39032 -110.02934 775.97682
4920.0000 -115.86102 -110.93705 4.92397 2.35024 -110.55870 782.35775
4925.0000 -116.32638 -111.51374 4.81264 2.30825 -111.11333 751.66194
4930.0000 -115.23811 -111.30820 3.92992 2.25263 -111.84796 699.45568
4935.0000 -116.25024 -112.53354 3.71670 2.27174 -111.59558 690.93144
4940.0000 -115.19535 -110.78301 4.41234 2.29317 -111.31250 709.55277
4945.0000 -115.78292 -110.97090 4.81202 2.30371 -111.17333 711.79858
4950.0000 -116.93933 -111.67488 5.26445 2.28721 -111.39121 731.36473
4955.0000 -116.03440 -112.26063 3.77377 2.29687 -111.26361 766.23105
4960.0000 -116.47224 -111.69548 4.77675 2.20396 -112.49076 695.86577
4965.0000 -116.06174 -111.85127 4.21048 2.28950 -111.36100 729.98447
4970.0000 -115.32504 -111.29574 4.02930 2.29680 -111.26450 771.27759
4975.0000 -115.24194 -111.59917 3.64277 2.28507 -111.41940 722.09426
4980.0000 -116.92677 -112.53014 4.39663 2.24184 -111.99040 706.46914
4985.0000 -114.95429 -111.15234 3.80194 2.25693 -111.79115 726.40116
4990.0000 -117.02267 -112.33426 4.68841 2.24706 -111.92151 690.86775
4995.0000 -116.11430 -111.40706 4.70724 2.26590 -111.67261 719.03302
5000.0000 -115.58852 -110.90425 4.68427 2.29850 -111.24207 728.74387
FREEZING PROCESS: loop number 21 T-loop= 703.00000000000000
main_MD> interactions number 21 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28394 -1.07258 1.66434
force_rgl> df(natom) 1.32704 2.37744 0.09194
5005.0000 -117.18726 -112.50688 4.68038 2.28579 -111.40989 746.60656
5010.0000 -116.41230 -111.78361 4.62869 2.23182 -112.12284 679.10654
5015.0000 -115.73542 -111.57323 4.16219 2.28613 -111.40541 732.42439
5020.0000 -117.33753 -112.71710 4.62043 2.19860 -112.56156 674.51789
5025.0000 -116.09267 -112.28700 3.80567 2.21851 -112.29859 692.67363
5030.0000 -116.58527 -112.43860 4.14667 2.20511 -112.47549 665.93222
5035.0000 -116.59347 -111.98308 4.61039 2.26653 -111.66428 727.81541
5040.0000 -117.55185 -112.72067 4.83118 2.21403 -112.35772 678.47212
5045.0000 -117.35978 -113.50892 3.85086 2.14797 -113.23024 625.92678
5050.0000 -116.79845 -112.31399 4.48447 2.15647 -113.11799 621.80023
5055.0000 -117.42864 -114.04303 3.38562 2.12538 -113.52854 605.91945
5060.0000 -116.07568 -112.28475 3.79094 2.14611 -113.25485 618.81100
5065.0000 -117.30192 -112.35552 4.94640 2.16651 -112.98540 659.63378
5070.0000 -116.60628 -112.19949 4.40679 2.21311 -112.36992 693.17332
5075.0000 -117.22298 -113.37503 3.84795 2.20017 -112.54084 636.95658
5080.0000 -118.07561 -114.38784 3.68777 2.13794 -113.36266 621.13513
5085.0000 -117.74331 -113.67344 4.06987 2.12254 -113.56608 610.67626
5090.0000 -116.38529 -113.36367 3.02161 2.12566 -113.52488 642.06809
5095.0000 -115.80544 -111.98346 3.82198 2.23911 -112.02646 697.00796
5100.0000 -115.26321 -110.43684 4.82637 2.30354 -111.17555 718.86666
5105.0000 -115.69932 -111.66385 4.03547 2.29309 -111.31357 744.92380
5110.0000 -116.12655 -112.18320 3.94335 2.27747 -111.51989 719.55814
5115.0000 -115.54119 -112.42551 3.11568 2.22387 -112.22779 675.09393
5120.0000 -115.81562 -111.41271 4.40291 2.20666 -112.45502 687.14452
5125.0000 -116.56675 -111.35304 5.21371 2.30191 -111.19707 791.21615
5130.0000 -115.07327 -110.47046 4.60280 2.34699 -110.60168 790.62256
5135.0000 -116.26150 -111.21585 5.04566 2.34232 -110.66335 760.80129
5140.0000 -115.74564 -111.30448 4.44116 2.28605 -111.40657 736.03470
5145.0000 -115.84539 -110.97069 4.87470 2.30176 -111.19901 732.91330
5150.0000 -116.46393 -112.30486 4.15907 2.25379 -111.83261 708.84791
5155.0000 -117.48605 -112.68196 4.80409 2.21942 -112.28649 697.37334
5160.0000 -116.89510 -112.14026 4.75484 2.18347 -112.76139 638.04718
5165.0000 -115.71083 -111.46174 4.24909 2.26923 -111.62868 721.73846
5170.0000 -115.21376 -110.22908 4.98468 2.32206 -110.93086 754.43006
5175.0000 -114.61716 -109.83704 4.78012 2.38469 -110.10373 807.25713
5180.0000 -116.76692 -112.07013 4.69679 2.29609 -111.27391 748.49585
5185.0000 -116.50361 -111.95048 4.55312 2.25587 -111.80510 704.10948
5190.0000 -116.16195 -112.07841 4.08354 2.23591 -112.06871 701.69427
5195.0000 -116.17858 -111.53685 4.64173 2.30947 -111.09714 746.07482
5200.0000 -117.04457 -113.53518 3.50940 2.21817 -112.30310 722.79631
5205.0000 -116.32499 -112.70440 3.62059 2.14512 -113.26788 608.55174
5210.0000 -117.56454 -112.90972 4.65482 2.14333 -113.29157 602.59834
5215.0000 -116.81718 -112.62837 4.18881 2.15968 -113.07564 655.09457
5220.0000 -115.86209 -111.77286 4.08923 2.20942 -112.41859 683.01357
5225.0000 -115.06167 -110.65223 4.40944 2.34989 -110.56334 782.74045
5230.0000 -117.31896 -111.95702 5.36194 2.30427 -111.16586 747.09952
5235.0000 -116.29878 -110.59816 5.70062 2.31365 -111.04195 789.43055
5240.0000 -116.54529 -112.04597 4.49932 2.30296 -111.18314 780.62170
5245.0000 -116.18980 -111.83682 4.35298 2.22731 -112.18228 707.61758
5250.0000 -116.30735 -111.79504 4.51232 2.20683 -112.45281 679.03095
FREEZING PROCESS: loop number 22 T-loop= 678.00000000000000
main_MD> interactions number 22 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37175 3.28337 -2.35351
force_rgl> df(natom) -0.56578 0.07229 -2.25521
5255.0000 -116.00965 -111.37935 4.63030 2.22804 -112.17265 693.25204
5260.0000 -118.47376 -114.01241 4.46134 2.16892 -112.95360 643.39725
5265.0000 -117.70754 -113.58068 4.12687 2.09967 -113.86814 590.32607
5270.0000 -116.71577 -112.55423 4.16154 2.18409 -112.75314 668.21486
5275.0000 -115.50126 -111.33741 4.16385 2.28107 -111.47235 722.72061
5280.0000 -116.05476 -111.21295 4.84180 2.27241 -111.58673 730.85320
5285.0000 -116.13573 -111.72444 4.41129 2.28795 -111.38144 736.86195
5290.0000 -117.05846 -112.16810 4.89036 2.26399 -111.69791 703.85681
5295.0000 -116.84977 -112.81965 4.03012 2.18441 -112.74891 655.14022
5300.0000 -116.03014 -111.78108 4.24906 2.26489 -111.68598 715.89761
5305.0000 -116.59215 -111.56022 5.03192 2.28145 -111.46730 740.92472
5310.0000 -115.63284 -111.21680 4.41604 2.26670 -111.66207 717.31357
5315.0000 -116.09633 -111.91198 4.18435 2.30163 -111.20078 750.60615
5320.0000 -116.34083 -112.17936 4.16147 2.26588 -111.67295 700.07725
5325.0000 -117.17473 -112.22687 4.94786 2.23700 -112.05432 709.61063
5330.0000 -116.02995 -111.97260 4.05735 2.24628 -111.93185 733.13956
5335.0000 -115.70658 -111.60115 4.10543 2.25326 -111.83964 704.83085
5340.0000 -115.79359 -111.38174 4.41184 2.29356 -111.30728 713.60188
5345.0000 -116.65996 -113.20426 3.45570 2.19034 -112.67059 646.11099
5350.0000 -116.97949 -112.82994 4.14955 2.14382 -113.28504 633.64376
5355.0000 -116.71874 -113.00388 3.71487 2.17215 -112.91082 668.69253
5360.0000 -116.77238 -112.24100 4.53138 2.16942 -112.94692 647.94575
5365.0000 -116.47871 -112.82087 3.65784 2.20782 -112.43978 682.71415
5370.0000 -115.85521 -112.28088 3.57433 2.19285 -112.63749 675.41192
5375.0000 -117.68685 -112.83182 4.85503 2.17903 -112.81998 669.64876
5380.0000 -116.59678 -112.12494 4.47183 2.21110 -112.39645 671.59780
5385.0000 -116.78780 -111.76019 5.02762 2.25992 -111.75167 713.88139
5390.0000 -116.88257 -112.96264 3.91994 2.17018 -112.93684 630.54627
5395.0000 -116.93390 -112.86285 4.07106 2.21270 -112.37525 665.62059
5400.0000 -116.57392 -112.07992 4.49399 2.21612 -112.33015 689.87730
5405.0000 -117.18893 -113.07701 4.11191 2.16828 -112.96194 628.87692
5410.0000 -116.17496 -111.82934 4.34562 2.18047 -112.80100 677.40384
5415.0000 -116.53149 -112.47091 4.06058 2.24620 -111.93283 723.93328
5420.0000 -115.65645 -111.14352 4.51293 2.23665 -112.05898 695.31508
5425.0000 -117.06333 -113.32212 3.74121 2.22851 -112.16646 679.33982
5430.0000 -117.07762 -113.33649 3.74113 2.14974 -113.20682 627.06217
5435.0000 -117.22738 -112.54977 4.67762 2.17257 -112.90529 658.32057
5440.0000 -115.79625 -112.05818 3.73806 2.18882 -112.69072 677.76771
5445.0000 -116.57402 -112.67028 3.90374 2.22018 -112.27652 683.98502
5450.0000 -117.82482 -113.17817 4.64665 2.13915 -113.34668 627.49322
5455.0000 -115.64563 -111.28178 4.36385 2.18628 -112.72427 682.53514
5460.0000 -115.52225 -111.11817 4.40408 2.28593 -111.40810 738.90985
5465.0000 -116.34840 -112.00378 4.34462 2.30243 -111.19022 773.48229
5470.0000 -117.12511 -112.77484 4.35027 2.18447 -112.74813 677.23763
5475.0000 -116.78867 -112.53808 4.25060 2.16486 -113.00711 642.98704
5480.0000 -117.17957 -112.61058 4.56899 2.22948 -112.15361 689.46600
5485.0000 -117.30217 -113.64745 3.65472 2.18127 -112.79048 631.92444
5490.0000 -116.23073 -112.42729 3.80344 2.17976 -112.81038 668.43824
5495.0000 -117.09764 -112.46586 4.63178 2.17912 -112.81880 649.30216
5500.0000 -116.44913 -112.37027 4.07886 2.17579 -112.86284 623.09686
FREEZING PROCESS: loop number 23 T-loop= 653.00000000000000
main_MD> interactions number 23 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09872 1.60950 -0.14683
force_rgl> df(natom) -0.61046 -0.79079 2.12619
5505.0000 -116.13627 -112.30231 3.83396 2.21003 -112.41052 677.65762
5510.0000 -115.71665 -112.11296 3.60368 2.21549 -112.33840 667.17108
5515.0000 -116.76146 -112.62179 4.13967 2.19812 -112.56787 657.81218
5520.0000 -116.68633 -112.62477 4.06157 2.22916 -112.15784 700.83362
5525.0000 -116.24409 -112.33894 3.90515 2.20147 -112.52362 671.40042
5530.0000 -116.08402 -112.66029 3.42373 2.20593 -112.46477 651.76734
5535.0000 -117.48994 -113.17903 4.31091 2.17964 -112.81195 646.80164
5540.0000 -116.76872 -112.44032 4.32840 2.16702 -112.97865 647.48610
5545.0000 -117.72058 -113.45982 4.26076 2.17393 -112.88738 663.97327
5550.0000 -116.01376 -113.01411 2.99966 2.14239 -113.30395 636.52170
5555.0000 -117.24479 -113.30723 3.93756 2.13704 -113.37457 627.06268
5560.0000 -118.03978 -114.14664 3.89314 2.12185 -113.57517 617.39998
5565.0000 -117.42932 -114.02391 3.40541 2.09501 -113.92968 606.68419
5570.0000 -117.49755 -113.26149 4.23605 2.11912 -113.61127 610.40462
5575.0000 -117.26345 -113.23486 4.02858 2.14965 -113.20809 632.11077
5580.0000 -116.66540 -112.80886 3.85654 2.16625 -112.98880 642.99958
5585.0000 -117.39458 -113.31912 4.07547 2.12724 -113.50409 619.13214
5590.0000 -117.33715 -112.73262 4.60453 2.17907 -112.81946 673.71844
5595.0000 -117.83674 -113.62829 4.20844 2.13533 -113.39721 630.01593
5600.0000 -117.43900 -113.22351 4.21548 2.10887 -113.74664 622.24184
5605.0000 -116.36083 -112.27628 4.08456 2.18940 -112.68302 682.60340
5610.0000 -117.43543 -112.66849 4.76694 2.16189 -113.04634 648.37233
5615.0000 -116.38950 -112.81280 3.57670 2.19201 -112.64851 662.14765
5620.0000 -117.99552 -113.61850 4.37702 2.15755 -113.10370 656.65020
5625.0000 -116.86581 -112.26099 4.60482 2.16364 -113.02327 648.68519
5630.0000 -116.58023 -112.25053 4.32970 2.20928 -112.42048 708.43165
5635.0000 -117.12705 -113.65267 3.47438 2.17954 -112.81324 663.51629
5640.0000 -115.47009 -112.07207 3.39802 2.17051 -112.93260 649.58869
5645.0000 -116.67994 -112.46220 4.21774 2.27370 -111.56964 713.90883
5650.0000 -116.56815 -112.62555 3.94260 2.21533 -112.34052 671.03790
5655.0000 -116.07294 -112.13162 3.94132 2.22478 -112.21573 674.46794
5660.0000 -116.71427 -112.80763 3.90664 2.24545 -111.94276 724.54721
5665.0000 -116.63799 -113.04994 3.58805 2.17490 -112.87450 636.94563
5670.0000 -116.80670 -112.20138 4.60532 2.17665 -112.85139 636.82730
5675.0000 -117.38979 -112.25042 5.13937 2.19474 -112.61257 671.63106
5680.0000 -116.29344 -112.42515 3.86829 2.20066 -112.53427 666.08316
5685.0000 -115.90632 -111.91272 3.99361 2.24876 -111.89899 716.92458
5690.0000 -117.21728 -112.44010 4.77718 2.24135 -111.99686 713.88162
5695.0000 -116.14274 -112.10788 4.03486 2.22344 -112.23342 694.07937
5700.0000 -116.52099 -112.88023 3.64075 2.20665 -112.45518 700.52865
5705.0000 -115.56867 -112.46440 3.10427 2.18587 -112.72961 632.68908
5710.0000 -116.63339 -112.36156 4.27183 2.23958 -112.02022 691.52998
5715.0000 -116.65132 -112.45285 4.19848 2.22972 -112.15056 715.10574
5720.0000 -116.87417 -112.74234 4.13183 2.16600 -112.99206 638.19235
5725.0000 -118.04057 -113.38267 4.65789 2.15145 -113.18425 654.71949
5730.0000 -116.02402 -112.35323 3.67079 2.19505 -112.60842 671.52384
5735.0000 -115.84157 -111.61750 4.22406 2.22745 -112.18046 661.12400
5740.0000 -116.40802 -111.91899 4.48902 2.24684 -111.92445 677.29205
5745.0000 -116.44763 -113.21183 3.23580 2.24102 -112.00125 712.91568
5750.0000 -117.16640 -113.37696 3.78945 2.15415 -113.14866 626.98573
FREEZING PROCESS: loop number 24 T-loop= 628.00000000000000
main_MD> interactions number 24 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94659 2.18187 1.20162
force_rgl> df(natom) 1.03802 1.48986 0.85971
5755.0000 -117.34825 -113.23877 4.10948 2.15192 -113.17806 651.64039
5760.0000 -116.19316 -112.18572 4.00744 2.21063 -112.40258 651.22623
5765.0000 -116.84991 -111.98220 4.86771 2.23466 -112.08520 684.28917
5770.0000 -116.83093 -112.26395 4.56698 2.20567 -112.46815 678.14587
5775.0000 -116.71134 -112.61809 4.09325 2.21811 -112.30380 656.62922
5780.0000 -116.98754 -112.66609 4.32145 2.21053 -112.40392 685.52094
5785.0000 -117.07498 -112.62498 4.45000 2.19801 -112.56933 661.07238
5790.0000 -117.22286 -112.47151 4.75136 2.21915 -112.29015 682.00335
5795.0000 -118.15550 -112.58329 5.57221 2.16617 -112.98987 680.81801
5800.0000 -117.66687 -113.19481 4.47206 2.16229 -113.04108 637.75158
5805.0000 -116.85330 -112.87413 3.97917 2.12885 -113.48279 606.03887
5810.0000 -117.07310 -113.58902 3.48408 2.17883 -112.82267 632.45991
5815.0000 -116.92373 -113.66815 3.25558 2.12543 -113.52789 586.84570
5820.0000 -116.79244 -113.18015 3.61229 2.13234 -113.43661 600.57240
5825.0000 -117.05089 -113.89673 3.15416 2.11117 -113.71627 623.74342
5830.0000 -116.98473 -112.77438 4.21035 2.18628 -112.72428 659.70346
5835.0000 -118.00685 -113.59167 4.41518 2.16074 -113.06157 663.27201
5840.0000 -117.24894 -113.74375 3.50520 2.13680 -113.37770 607.18223
5845.0000 -117.22641 -114.21889 3.00752 2.08798 -114.02263 582.76223
5850.0000 -116.70505 -113.66826 3.03679 2.08899 -114.00923 562.91253
5855.0000 -116.78791 -113.51134 3.27657 2.12479 -113.53639 573.09264
5860.0000 -116.99574 -113.12388 3.87186 2.16065 -113.06272 621.30110
5865.0000 -116.48572 -112.11299 4.37274 2.24103 -112.00107 699.67497
5870.0000 -117.06076 -112.24763 4.81313 2.22728 -112.18279 678.11984
5875.0000 -116.84571 -112.89171 3.95400 2.17442 -112.88083 639.71004
5880.0000 -117.10003 -112.63322 4.46681 2.15718 -113.10854 662.25017
5885.0000 -117.62277 -112.82290 4.79987 2.14705 -113.24244 630.53220
5890.0000 -116.51762 -112.84080 3.67682 2.18589 -112.72940 657.62746
5895.0000 -116.23483 -111.96602 4.26881 2.21177 -112.38763 653.19690
5900.0000 -116.91483 -113.33218 3.58265 2.17904 -112.81993 650.25000
5905.0000 -116.74646 -112.50721 4.23924 2.22498 -112.21309 696.95224
5910.0000 -117.07113 -113.20555 3.86558 2.18298 -112.76789 671.02309
5915.0000 -117.45832 -113.10732 4.35100 2.15679 -113.11380 640.91379
5920.0000 -116.39442 -112.13481 4.25961 2.20358 -112.49579 673.41355
5925.0000 -116.77374 -112.55224 4.22150 2.22457 -112.21853 678.37316
5930.0000 -117.27273 -113.77710 3.49563 2.12792 -113.49505 599.03129
5935.0000 -116.94016 -113.36228 3.57788 2.15064 -113.19498 633.90975
5940.0000 -116.76733 -113.30013 3.46720 2.14196 -113.30956 618.72134
5945.0000 -116.96805 -113.00404 3.96401 2.14739 -113.23794 639.54624
5950.0000 -117.02967 -112.45970 4.56997 2.20795 -112.43800 673.15172
5955.0000 -117.25070 -113.66690 3.58380 2.13227 -113.43764 642.52844
5960.0000 -117.42065 -113.00295 4.41771 2.15990 -113.07268 638.05495
5965.0000 -116.94375 -113.33334 3.61040 2.16024 -113.06819 637.21202
5970.0000 -116.91912 -113.09843 3.82069 2.13132 -113.45017 618.99025
5975.0000 -117.31439 -113.60748 3.70691 2.15815 -113.09576 637.63772
5980.0000 -117.23194 -113.59569 3.63625 2.14698 -113.24332 634.39005
5985.0000 -117.53161 -113.86681 3.66480 2.12215 -113.57129 610.19834
5990.0000 -117.90089 -113.75243 4.14846 2.14360 -113.28793 627.74577
5995.0000 -116.69429 -113.28515 3.40914 2.12500 -113.53367 588.94602
6000.0000 -117.31578 -112.65956 4.65622 2.18312 -112.76593 645.17992
FREEZING PROCESS: loop number 25 T-loop= 603.00000000000000
main_MD> interactions number 25 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94568 1.19561 1.99141
force_rgl> df(natom) 1.26947 0.28825 -3.71115
6005.0000 -117.78536 -113.62103 4.16432 2.20220 -112.51401 652.64007
6010.0000 -117.78260 -114.15774 3.62485 2.09613 -113.91491 586.46499
6015.0000 -118.36071 -116.06708 2.29363 2.00537 -115.11360 511.08482
6020.0000 -117.50154 -114.47717 3.02437 2.03046 -114.78222 531.04747
6025.0000 -117.95293 -114.51597 3.43697 2.03019 -114.78578 530.71204
6030.0000 -118.48390 -114.87265 3.61124 2.05422 -114.46841 567.40072
6035.0000 -116.93634 -113.99354 2.94280 2.05413 -114.46965 559.66961
6040.0000 -118.01078 -114.16033 3.85045 2.08320 -114.08573 561.88592
6045.0000 -117.75642 -113.49306 4.26336 2.09918 -113.87463 613.46658
6050.0000 -117.41033 -113.77300 3.63733 2.10686 -113.77318 629.07719
6055.0000 -117.35182 -114.17035 3.18146 2.06477 -114.32906 570.04623
6060.0000 -118.09107 -114.30001 3.79106 2.05822 -114.41559 559.29978
6065.0000 -117.43796 -113.68474 3.75322 2.11112 -113.71698 580.83734
6070.0000 -116.63593 -113.07210 3.56383 2.15881 -113.08705 607.51502
6075.0000 -117.90055 -114.18519 3.71536 2.14838 -113.22476 631.01239
6080.0000 -117.27767 -114.11395 3.16372 2.07360 -114.21251 586.18909
6085.0000 -118.13066 -113.40983 4.72083 2.09660 -113.90871 593.33690
6090.0000 -116.90665 -112.76950 4.13715 2.12678 -113.51016 597.77648
6095.0000 -118.20330 -113.71488 4.48842 2.14773 -113.23345 641.50759
6100.0000 -117.87495 -113.64367 4.23128 2.11319 -113.68961 609.71033
6105.0000 -117.20225 -113.72538 3.47687 2.07915 -114.13924 575.84650
6110.0000 -117.60960 -113.63206 3.97754 2.09440 -113.93777 578.06053
6115.0000 -118.26643 -114.41144 3.85499 2.09805 -113.88951 598.59101
6120.0000 -117.09536 -114.18884 2.90651 2.05817 -114.41634 563.32357
6125.0000 -116.76697 -112.54909 4.21788 2.09135 -113.97809 591.26637
6130.0000 -116.66417 -112.60008 4.06409 2.20587 -112.46551 681.29697
6135.0000 -116.55866 -112.32147 4.23719 2.20994 -112.41176 647.48134
6140.0000 -118.03494 -114.82815 3.20679 2.15282 -113.16624 623.37229
6145.0000 -118.20226 -114.17457 4.02770 2.03757 -114.68842 543.88485
6150.0000 -116.75671 -113.51308 3.24363 2.12190 -113.57450 620.54834
6155.0000 -116.98255 -113.41141 3.57115 2.10229 -113.83358 576.86022
6160.0000 -117.92172 -113.70085 4.22087 2.10873 -113.74848 601.46381
6165.0000 -116.85839 -113.52383 3.33456 2.10441 -113.80560 600.64288
6170.0000 -117.16866 -112.84585 4.32281 2.10885 -113.74691 618.38476
6175.0000 -116.35284 -112.91694 3.43589 2.17685 -112.84880 642.40201
6180.0000 -117.15748 -113.55364 3.60384 2.12807 -113.49313 613.79086
6185.0000 -118.36898 -113.31561 5.05337 2.15202 -113.17672 621.35805
6190.0000 -117.31239 -113.29007 4.02231 2.09989 -113.86532 563.92878
6195.0000 -116.46429 -112.30522 4.15906 2.16196 -113.04549 612.51965
6200.0000 -117.40366 -113.69371 3.70995 2.16233 -113.04053 646.60141
6205.0000 -117.57304 -113.32241 4.25063 2.09749 -113.89697 606.90069
6210.0000 -117.51085 -113.76658 3.74427 2.13597 -113.38868 619.85321
6215.0000 -116.97219 -114.01458 2.95762 2.09283 -113.95853 588.10186
6220.0000 -118.03760 -114.03916 3.99845 2.09942 -113.87150 608.53918
6225.0000 -117.49398 -113.49679 3.99719 2.12534 -113.52909 626.11506
6230.0000 -117.43458 -113.70562 3.72896 2.12163 -113.57807 617.49794
6235.0000 -117.51597 -113.85794 3.65803 2.07160 -114.23885 554.42410
6240.0000 -118.05472 -113.99165 4.06308 2.07155 -114.23962 563.07511
6245.0000 -118.37886 -114.10502 4.27384 2.06776 -114.28959 586.63183
6250.0000 -118.48658 -114.52080 3.96578 2.05599 -114.44511 579.15587
FREEZING PROCESS: loop number 26 T-loop= 578.00000000000000
main_MD> interactions number 26 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18543 0.87422 0.16554
force_rgl> df(natom) -4.34771 1.67332 2.04230
6255.0000 -117.80979 -114.46548 3.34432 2.06146 -114.37279 605.15706
6260.0000 -118.18021 -114.51193 3.66828 2.09391 -113.94429 619.20381
6265.0000 -117.97949 -114.66577 3.31372 2.05517 -114.45594 583.45981
6270.0000 -118.41362 -115.23184 3.18178 1.98480 -115.38530 504.16036
6275.0000 -118.21732 -114.80191 3.41541 2.03023 -114.78531 532.89141
6280.0000 -117.70747 -114.54201 3.16546 2.02236 -114.88924 540.96859
6285.0000 -117.62234 -113.32659 4.29576 2.11331 -113.68795 627.13295
6290.0000 -117.89905 -114.65553 3.24352 2.05275 -114.48783 559.77640
6295.0000 -117.43526 -113.22232 4.21294 2.10117 -113.84842 593.99413
6300.0000 -117.77176 -114.31674 3.45503 2.06973 -114.26359 590.49035
6305.0000 -118.06425 -114.16022 3.90403 2.07579 -114.18353 582.34819
6310.0000 -117.60186 -113.99892 3.60294 2.09212 -113.96795 576.70166
6315.0000 -117.35878 -113.12884 4.22994 2.09481 -113.93235 585.22078
6320.0000 -117.89327 -114.56948 3.32378 2.11086 -113.72036 595.79120
6325.0000 -118.38864 -114.81711 3.57152 2.03980 -114.65890 566.24359
6330.0000 -118.35304 -114.58475 3.76829 2.02851 -114.80803 544.47377
6335.0000 -117.46967 -113.15389 4.31578 2.08642 -114.04315 599.89537
6340.0000 -117.90401 -113.95302 3.95099 2.12875 -113.48414 615.44702
6345.0000 -117.48141 -114.52413 2.95728 2.05859 -114.41077 520.64446
6350.0000 -117.39189 -114.08932 3.30256 2.06005 -114.39144 538.26527
6355.0000 -118.05750 -114.24170 3.81581 2.07102 -114.24662 568.87283
6360.0000 -117.55390 -113.56504 3.98886 2.07921 -114.13840 595.13265
6365.0000 -118.70108 -115.32791 3.37317 2.06923 -114.27021 609.06094
6370.0000 -118.51478 -115.45055 3.06422 2.01837 -114.94201 571.89238
6375.0000 -117.99071 -113.99816 3.99255 2.04483 -114.59247 547.45588
6380.0000 -117.56959 -113.37543 4.19416 2.11573 -113.65603 604.19438
6385.0000 -117.13782 -114.06883 3.06899 2.13446 -113.40866 599.81735
6390.0000 -117.79194 -114.83309 2.95885 2.07139 -114.24171 546.16778
6395.0000 -117.11183 -113.76515 3.34667 2.06977 -114.26310 593.08192
6400.0000 -118.28029 -114.61477 3.66553 2.08178 -114.10449 598.38366
6405.0000 -117.70690 -114.33255 3.37435 2.05660 -114.43703 542.14372
6410.0000 -118.17308 -114.24608 3.92700 2.07609 -114.17955 582.00246
6415.0000 -117.98599 -114.91254 3.07345 2.04255 -114.62257 538.45304
6420.0000 -117.87864 -114.59993 3.27871 2.02513 -114.85269 529.24287
6425.0000 -118.16391 -115.07253 3.09138 2.02034 -114.91588 537.28760
6430.0000 -118.62931 -115.08924 3.54007 1.99664 -115.22902 533.82112
6435.0000 -118.50843 -115.47171 3.03671 2.00608 -115.10424 533.22711
6440.0000 -118.36030 -114.93535 3.42494 2.01277 -115.01591 523.31022
6445.0000 -117.60295 -113.84830 3.75465 2.06537 -114.32122 556.58457
6450.0000 -117.47933 -114.03036 3.44897 2.09933 -113.87263 569.83234
6455.0000 -117.98809 -113.77126 4.21682 2.08497 -114.06236 565.55041
6460.0000 -117.33085 -113.45120 3.87965 2.08136 -114.11001 597.07769
6465.0000 -117.14815 -113.48114 3.66702 2.13772 -113.36566 634.16216
6470.0000 -117.38400 -113.38591 3.99808 2.07464 -114.19881 580.03135
6475.0000 -116.46774 -112.89587 3.57187 2.13551 -113.39474 636.76523
6480.0000 -117.32635 -114.47953 2.84681 2.11846 -113.61999 597.69842
6485.0000 -118.34935 -114.60708 3.74227 2.04785 -114.55260 525.02728
6490.0000 -117.68126 -114.23665 3.44461 2.01504 -114.98598 507.93652
6495.0000 -118.40269 -115.14361 3.25908 2.05726 -114.42829 564.91480
6500.0000 -117.52493 -114.14253 3.38240 2.00261 -115.15006 528.06008
FREEZING PROCESS: loop number 27 T-loop= 553.00000000000000
main_MD> interactions number 27 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.95258 -0.05955 -1.31834
force_rgl> df(natom) 0.88177 2.27490 -0.62800
6505.0000 -117.68295 -114.35471 3.32823 2.03835 -114.67807 536.40470
6510.0000 -118.50081 -115.35696 3.14385 2.03429 -114.73170 536.00360
6515.0000 -118.32487 -114.50894 3.81593 1.99995 -115.18524 512.99629
6520.0000 -118.05522 -113.90783 4.14739 2.07335 -114.21582 574.04048
6525.0000 -117.79089 -113.98756 3.80333 2.08110 -114.11346 577.77512
6530.0000 -117.44080 -114.16654 3.27426 2.08030 -114.12402 557.22660
6535.0000 -118.44881 -114.76681 3.68201 2.08631 -114.04469 625.05659
6540.0000 -117.81729 -114.29356 3.52373 2.03258 -114.75424 537.21962
6545.0000 -117.56465 -114.50442 3.06024 2.04873 -114.54096 542.17168
6550.0000 -117.40496 -113.89775 3.50721 2.10453 -113.80402 590.12650
6555.0000 -118.59365 -114.81755 3.77610 2.05741 -114.42632 570.85174
6560.0000 -117.85802 -114.85042 3.00759 2.04583 -114.57930 557.68462
6565.0000 -118.53684 -114.53804 3.99880 2.04457 -114.59598 552.13367
6570.0000 -117.99689 -114.76525 3.23164 2.03451 -114.72884 532.67715
6575.0000 -118.51038 -115.55688 2.95351 2.00916 -115.06358 501.69932
6580.0000 -118.48474 -114.89787 3.58688 2.01580 -114.97588 521.87327
6585.0000 -117.19672 -113.71742 3.47931 2.09078 -113.98555 581.87978
6590.0000 -118.37434 -114.21551 4.15883 2.11122 -113.71561 599.83779
6595.0000 -117.57209 -113.75598 3.81611 2.08146 -114.10872 593.58983
6600.0000 -117.92421 -115.00859 2.91563 2.06114 -114.37712 589.56159
6605.0000 -118.10311 -115.07921 3.02390 2.01924 -114.93048 510.49894
6610.0000 -117.85738 -115.06252 2.79486 2.02231 -114.88990 521.44874
6615.0000 -118.75761 -115.89044 2.86717 1.96701 -115.62035 479.75824
6620.0000 -119.31610 -116.18056 3.13554 1.95065 -115.83633 473.59340
6625.0000 -118.48100 -115.01446 3.46654 1.98534 -115.37818 523.97885
6630.0000 -118.16227 -115.15818 3.00409 2.00172 -115.16187 524.42323
6635.0000 -118.52468 -115.30222 3.22246 1.99819 -115.20847 518.68700
6640.0000 -118.73748 -115.42761 3.30987 2.00188 -115.15972 521.84946
6645.0000 -117.49076 -114.19926 3.29149 2.05354 -114.47744 577.02163
6650.0000 -118.68685 -115.74318 2.94366 1.99922 -115.19487 518.39677
6655.0000 -118.44771 -115.15104 3.29667 1.97540 -115.50950 502.37759
6660.0000 -118.31241 -115.45738 2.85502 2.00351 -115.13818 540.39991
6665.0000 -118.09176 -115.29749 2.79428 1.99066 -115.30796 545.78646
6670.0000 -117.95880 -114.90449 3.05432 2.01967 -114.92478 576.03516
6675.0000 -117.71716 -113.65951 4.05766 2.06993 -114.26091 570.50411
6680.0000 -118.34479 -115.23441 3.11038 2.03045 -114.78237 517.59614
6685.0000 -118.47999 -115.31384 3.16615 2.01516 -114.98432 525.01729
6690.0000 -118.22023 -114.81543 3.40480 2.01985 -114.92239 523.51184
6695.0000 -118.04689 -115.03008 3.01681 2.02454 -114.86042 535.35816
6700.0000 -118.26718 -114.70326 3.56392 2.05282 -114.48692 573.56085
6705.0000 -118.19605 -114.61066 3.58539 2.05749 -114.42531 529.75403
6710.0000 -117.80872 -114.13647 3.67225 2.06414 -114.33745 570.38255
6715.0000 -117.36886 -114.42197 2.94689 2.08930 -114.00517 590.83464
6720.0000 -118.21499 -114.29355 3.92144 2.05208 -114.49668 560.32723
6725.0000 -118.40434 -115.11912 3.28522 2.01778 -114.94975 544.32880
6730.0000 -118.93327 -115.22264 3.71063 2.00799 -115.07901 578.07224
6735.0000 -118.75928 -115.23078 3.52850 1.98623 -115.36644 522.59770
6740.0000 -118.75012 -115.79199 2.95813 1.99124 -115.30028 522.25053
6745.0000 -118.77308 -116.08257 2.69051 1.93559 -116.03529 466.20586
6750.0000 -118.57170 -115.77748 2.79422 1.93304 -116.06899 469.00819
FREEZING PROCESS: loop number 28 T-loop= 528.00000000000000
main_MD> interactions number 28 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17313 -1.14098 0.81161
force_rgl> df(natom) -4.00030 1.33939 1.12453
6755.0000 -118.58777 -115.74633 2.84144 1.95732 -115.74833 486.51664
6760.0000 -118.52437 -115.97230 2.55207 1.95045 -115.83898 487.26344
6765.0000 -119.10311 -115.59135 3.51176 1.94983 -115.84723 518.68810
6770.0000 -118.43678 -115.38944 3.04733 1.98544 -115.37688 536.03171
6775.0000 -118.38264 -114.78048 3.60217 2.03190 -114.76332 555.41355
6780.0000 -118.71257 -114.45599 4.25659 2.02357 -114.87324 566.43162
6785.0000 -119.11210 -116.16512 2.94697 2.01619 -114.97075 557.18469
6790.0000 -118.04946 -114.68398 3.36547 1.97825 -115.47186 521.41784
6795.0000 -119.04203 -114.88111 4.16092 2.03440 -114.73018 546.74367
6800.0000 -118.53607 -115.10054 3.43553 2.03077 -114.77819 573.63280
6805.0000 -118.05401 -114.90594 3.14807 1.98159 -115.42780 513.10956
6810.0000 -117.54981 -114.70347 2.84634 2.00507 -115.11759 527.62923
6815.0000 -118.39487 -115.18803 3.20684 1.99176 -115.29344 520.63698
6820.0000 -118.20742 -113.96310 4.24432 2.05669 -114.43588 563.77188
6825.0000 -117.84000 -114.05328 3.78672 2.09087 -113.98435 582.87841
6830.0000 -118.82549 -115.52141 3.30408 2.02116 -114.90517 522.12263
6835.0000 -118.75252 -115.92387 2.82865 1.96802 -115.60698 488.63976
6840.0000 -117.99896 -114.75284 3.24612 1.99148 -115.29705 499.48975
6845.0000 -118.22052 -114.88228 3.33824 2.04200 -114.62991 545.42369
6850.0000 -117.96611 -114.12648 3.83963 2.07191 -114.23478 553.46144
6855.0000 -118.76567 -115.11259 3.65308 2.01917 -114.93141 538.80615
6860.0000 -117.78950 -114.62499 3.16451 2.02693 -114.82885 549.62304
6865.0000 -118.04489 -114.70326 3.34162 2.04526 -114.58685 549.52433
6870.0000 -117.05029 -114.20959 2.84070 2.07831 -114.15027 564.32123
6875.0000 -116.97572 -113.42702 3.54869 2.10537 -113.79286 606.66376
6880.0000 -117.36192 -113.61211 3.74980 2.12748 -113.50090 630.78919
6885.0000 -116.96901 -114.03709 2.93192 2.09893 -113.87792 578.85832
6890.0000 -117.10952 -113.27003 3.83948 2.11791 -113.62729 568.54748
6895.0000 -116.50723 -113.04002 3.46721 2.15894 -113.08536 633.68473
6900.0000 -117.27698 -114.29397 2.98301 2.13534 -113.39711 617.09937
6905.0000 -117.92424 -114.38671 3.53753 2.06844 -114.28062 550.81917
6910.0000 -118.39251 -115.38809 3.00442 2.01427 -114.99605 498.97877
6915.0000 -117.86410 -114.55290 3.31121 2.03474 -114.72581 527.66728
6920.0000 -118.05738 -114.42405 3.63332 2.06861 -114.27834 577.79271
6925.0000 -118.04646 -114.73768 3.30878 2.07209 -114.23246 568.02870
6930.0000 -118.37145 -114.99808 3.37337 2.01897 -114.93404 516.55393
6935.0000 -118.85270 -115.68608 3.16662 1.97210 -115.55302 483.70698
6940.0000 -118.38190 -115.15063 3.23127 1.96845 -115.60130 493.59360
6945.0000 -118.50948 -115.29193 3.21755 2.00538 -115.11347 528.37107
6950.0000 -118.03809 -115.42765 2.61043 1.98741 -115.35093 484.50626
6955.0000 -118.87771 -115.85423 3.02347 1.95668 -115.75678 476.03069
6960.0000 -119.07158 -115.88684 3.18474 1.95272 -115.80911 472.68972
6965.0000 -118.56617 -115.16015 3.40602 1.97041 -115.57544 492.24762
6970.0000 -117.74167 -114.08504 3.65663 2.06025 -114.38876 582.84678
6975.0000 -118.35755 -114.85467 3.50288 2.07146 -114.24071 588.63570
6980.0000 -118.18849 -114.71303 3.47547 2.04821 -114.54785 552.98862
6985.0000 -118.05349 -114.82636 3.22713 2.04216 -114.62778 527.29043
6990.0000 -117.49208 -114.59256 2.89952 2.03167 -114.76629 524.12293
6995.0000 -118.75164 -115.91920 2.83245 2.00011 -115.18307 504.13291
7000.0000 -118.52341 -115.96106 2.56235 1.97203 -115.55405 494.48348
FREEZING PROCESS: loop number 29 T-loop= 503.00000000000000
main_MD> interactions number 29 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39294 1.86989 3.33972
force_rgl> df(natom) 3.44424 0.77876 4.56747
7005.0000 -118.00715 -115.13661 2.87053 1.96925 -115.59078 492.76119
7010.0000 -118.61406 -115.60758 3.00648 1.97347 -115.53496 490.21826
7015.0000 -118.50455 -115.94800 2.55656 1.97417 -115.52574 473.55697
7020.0000 -118.75591 -115.64194 3.11397 1.97414 -115.52617 481.31030
7025.0000 -118.33094 -115.15411 3.17683 1.98333 -115.40476 503.31459
7030.0000 -118.73657 -115.54251 3.19406 1.96907 -115.59314 487.52128
7035.0000 -118.80149 -115.99934 2.80216 1.93555 -116.03583 461.94152
7040.0000 -118.76459 -115.75830 3.00629 1.94455 -115.91690 466.45669
7045.0000 -118.70002 -116.06710 2.63292 1.94255 -115.94330 466.40519
7050.0000 -118.57194 -115.27022 3.30172 1.97510 -115.51350 507.87623
7055.0000 -118.45170 -115.40159 3.05011 1.97132 -115.56332 516.58667
7060.0000 -118.76904 -115.56399 3.20506 1.98514 -115.38087 518.39461
7065.0000 -119.42576 -116.85000 2.57576 1.89331 -116.59373 444.32709
7070.0000 -118.64567 -115.78199 2.86368 1.90324 -116.46250 439.02443
7075.0000 -118.39032 -115.50138 2.88894 1.97800 -115.47521 490.11494
7080.0000 -118.58205 -115.53355 3.04850 1.96303 -115.67292 478.34814
7085.0000 -118.91493 -116.44680 2.46813 1.94059 -115.96927 450.94677
7090.0000 -118.53838 -115.52406 3.01432 1.94814 -115.86953 455.53801
7095.0000 -118.91865 -115.72943 3.18922 1.94330 -115.93346 455.77553
7100.0000 -118.22414 -115.16453 3.05960 1.97531 -115.51074 493.43716
7105.0000 -118.77396 -115.40242 3.37154 2.00253 -115.15113 507.42269
7110.0000 -118.10317 -115.07424 3.02893 1.99501 -115.25044 514.76750
7115.0000 -118.45715 -115.42221 3.03494 1.99707 -115.22331 509.20596
7120.0000 -118.31760 -114.96905 3.34855 1.98517 -115.38051 483.53573
7125.0000 -118.16848 -113.85904 4.30944 2.06520 -114.32345 576.49869
7130.0000 -118.47084 -114.93381 3.53703 2.04011 -114.65488 547.82866
7135.0000 -118.86152 -115.43272 3.42880 1.98992 -115.31777 514.33346
7140.0000 -117.45873 -114.26941 3.18931 2.00110 -115.17011 517.71615
7145.0000 -118.48581 -115.19037 3.29543 2.03840 -114.67739 530.45355
7150.0000 -119.00564 -115.47725 3.52839 1.97032 -115.57663 497.75294
7155.0000 -118.75009 -116.13023 2.61986 1.92628 -116.15831 461.09257
7160.0000 -118.00811 -115.68587 2.32224 1.94350 -115.93086 472.86836
7165.0000 -117.59578 -114.74044 2.85534 1.96235 -115.68180 484.98113
7170.0000 -117.78336 -114.71327 3.07009 2.09215 -113.96747 616.57837
7175.0000 -119.04614 -116.58045 2.46569 1.97092 -115.56872 489.60144
7180.0000 -119.04202 -115.75844 3.28358 1.94627 -115.89430 490.46185
7185.0000 -119.16589 -115.61104 3.55485 1.97494 -115.51554 522.36262
7190.0000 -117.93627 -114.74298 3.19330 2.02464 -114.85908 560.27845
7195.0000 -118.81390 -114.77051 4.04339 2.00407 -115.13084 517.31717
7200.0000 -117.65223 -114.96134 2.69088 2.02687 -114.82972 541.62807
7205.0000 -118.11632 -114.50772 3.60860 2.01564 -114.97796 529.73798
7210.0000 -118.87971 -115.19927 3.68044 2.01879 -114.93645 532.04653
7215.0000 -118.68134 -114.98092 3.70042 2.01389 -115.00111 535.19003
7220.0000 -118.06934 -114.81697 3.25237 2.00154 -115.16421 509.21184
7225.0000 -118.46066 -115.66340 2.79726 1.98729 -115.35242 495.63438
7230.0000 -118.43059 -115.44630 2.98428 1.98903 -115.32949 517.81245
7235.0000 -118.03300 -115.37660 2.65639 2.00415 -115.12976 527.85112
7240.0000 -117.77306 -114.51025 3.26282 1.98150 -115.42893 485.01906
7245.0000 -118.65918 -114.93271 3.72647 2.00635 -115.10077 535.57114
7250.0000 -118.09062 -114.04823 4.04239 2.07401 -114.20702 599.10113
FREEZING PROCESS: loop number 30 T-loop= 478.00000000000000
main_MD> interactions number 30 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11536 -0.08625 -1.37924
force_rgl> df(natom) -0.37940 -1.18917 -1.85062
7255.0000 -118.17530 -114.29289 3.88241 2.06380 -114.34197 546.92783
7260.0000 -118.15681 -115.27081 2.88600 2.04043 -114.65064 517.20315
7265.0000 -118.16557 -114.74440 3.42116 2.00334 -115.14045 494.67249
7270.0000 -118.67958 -116.00610 2.67347 1.97424 -115.52476 485.06737
7275.0000 -118.77647 -116.16598 2.61049 1.93616 -116.02776 484.74562
7280.0000 -119.01248 -116.21700 2.79548 1.92264 -116.20627 444.62036
7285.0000 -118.98266 -115.92185 3.06081 1.93418 -116.05387 450.96918
7290.0000 -119.27497 -116.03969 3.23529 1.92550 -116.16859 469.72192
7295.0000 -118.97198 -115.69284 3.27914 1.94175 -115.95395 488.02503
7300.0000 -118.21130 -115.00678 3.20452 1.97540 -115.50943 504.05814
7305.0000 -118.44211 -115.49600 2.94611 2.00069 -115.17541 531.02970
7310.0000 -118.87736 -115.77147 3.10589 1.96309 -115.67205 471.95620
7315.0000 -119.47789 -116.95055 2.52733 1.91638 -116.28901 473.06139
7320.0000 -119.41752 -116.38912 3.02840 1.88339 -116.72470 458.54273
7325.0000 -119.03048 -115.44525 3.58523 1.91746 -116.27475 488.87770
7330.0000 -118.77497 -115.20046 3.57451 1.97313 -115.53951 525.81216
7335.0000 -119.19985 -116.21598 2.98386 1.95014 -115.84316 486.20087
7340.0000 -119.24492 -116.44199 2.80293 1.93012 -116.10757 442.90296
7345.0000 -119.22019 -116.07055 3.14964 1.91369 -116.32456 441.67723
7350.0000 -118.84303 -115.74813 3.09490 1.94446 -115.91817 464.11777
7355.0000 -119.10571 -115.68607 3.41963 1.95921 -115.72329 496.90095
7360.0000 -118.29320 -115.48605 2.80715 1.95553 -115.77190 482.55428
7365.0000 -118.63132 -115.41820 3.21312 1.96021 -115.71016 479.92538
7370.0000 -118.52072 -115.61635 2.90437 1.98120 -115.43283 510.04775
7375.0000 -118.64885 -115.73816 2.91069 1.96058 -115.70523 495.68977
7380.0000 -118.92079 -115.62058 3.30021 1.96434 -115.65560 478.65631
7385.0000 -118.27100 -115.04702 3.22398 1.95010 -115.84361 467.40212
7390.0000 -118.53907 -115.31774 3.22133 1.98579 -115.37223 504.08884
7395.0000 -118.27546 -115.44454 2.83092 1.96938 -115.58904 479.65437
7400.0000 -118.50650 -115.88770 2.61880 1.95290 -115.80662 474.02431
7405.0000 -118.53198 -115.75169 2.78029 1.94614 -115.89598 460.69055
7410.0000 -119.16274 -115.97916 3.18358 1.95079 -115.83449 469.81351
7415.0000 -118.93524 -115.96187 2.97337 1.93947 -115.98407 479.32720
7420.0000 -119.37396 -117.13757 2.23639 1.87600 -116.82238 433.15264
7425.0000 -118.95278 -116.02603 2.92674 1.86395 -116.98149 427.64668
7430.0000 -119.01173 -115.67605 3.33569 1.95489 -115.78037 512.90837
7435.0000 -119.35536 -116.76183 2.59353 1.93144 -116.09015 485.64858
7440.0000 -119.28118 -116.64811 2.63307 1.87766 -116.80040 447.35996
7445.0000 -119.75799 -116.77549 2.98249 1.88851 -116.65716 451.95181
7450.0000 -119.79762 -117.20019 2.59743 1.87586 -116.82414 438.20071
7455.0000 -118.92297 -116.44579 2.47717 1.88037 -116.76463 433.92715
7460.0000 -118.76847 -115.88207 2.88640 1.92328 -116.19785 439.01414
7465.0000 -119.55640 -116.10012 3.45628 1.93100 -116.09589 448.51412
7470.0000 -118.95118 -115.66136 3.28982 1.95253 -115.81149 514.57806
7475.0000 -118.58416 -115.59458 2.98958 1.98769 -115.34713 493.20864
7480.0000 -118.25542 -114.85756 3.39786 2.01283 -115.01516 539.78529
7485.0000 -118.77102 -115.78169 2.98933 1.98542 -115.37720 492.62721
7490.0000 -118.94139 -116.13956 2.80183 1.94970 -115.84893 464.91304
7495.0000 -118.79691 -115.79562 3.00129 1.94559 -115.90316 455.80067
7500.0000 -118.60179 -115.93790 2.66389 1.93160 -116.08796 453.89406
FREEZING PROCESS: loop number 31 T-loop= 453.00000000000000
main_MD> interactions number 31 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80817 -2.82264 -0.44920
force_rgl> df(natom) -1.11724 2.21860 -1.43444
7505.0000 -118.88042 -116.44700 2.43342 1.93084 -116.09798 452.42128
7510.0000 -119.06517 -116.38649 2.67868 1.92420 -116.18571 447.11466
7515.0000 -118.25813 -115.67980 2.57833 1.94785 -115.87334 473.99482
7520.0000 -118.48417 -116.36181 2.12237 1.93802 -116.00320 468.81649
7525.0000 -119.38437 -116.78812 2.59625 1.87653 -116.81533 406.02001
7530.0000 -119.11006 -116.41614 2.69392 1.88642 -116.68474 400.45841
7535.0000 -119.19462 -116.13187 3.06275 1.92283 -116.20379 452.51346
7540.0000 -119.76783 -116.58853 3.17930 1.89329 -116.59393 440.96272
7545.0000 -119.43829 -116.45806 2.98024 1.88948 -116.64424 444.80986
7550.0000 -119.27957 -116.35299 2.92659 1.90731 -116.40881 414.68046
7555.0000 -119.36246 -116.54503 2.81744 1.92357 -116.19409 463.45422
7560.0000 -119.20974 -116.20016 3.00958 1.91506 -116.30644 452.48202
7565.0000 -119.85860 -116.79858 3.06002 1.88344 -116.72403 433.52268
7570.0000 -118.30875 -115.72228 2.58648 1.92670 -116.15271 448.76316
7575.0000 -118.73241 -115.36513 3.36728 1.96306 -115.67241 476.15771
7580.0000 -119.12066 -116.89589 2.22476 1.95359 -115.79758 467.35076
7585.0000 -119.30473 -116.70849 2.59624 1.89013 -116.63572 427.54152
7590.0000 -119.29695 -116.69955 2.59740 1.87969 -116.77358 416.47447
7595.0000 -119.45452 -116.62823 2.82629 1.89541 -116.56599 431.72941
7600.0000 -118.83979 -115.95584 2.88395 1.91532 -116.30295 463.07027
7605.0000 -118.85781 -115.86288 2.99493 1.95868 -115.73036 491.65312
7610.0000 -119.13047 -116.65525 2.47522 1.91622 -116.29106 437.17611
7615.0000 -119.09180 -116.20847 2.88333 1.94167 -115.95498 477.99481
7620.0000 -119.21012 -116.67143 2.53869 1.89379 -116.58737 438.01437
7625.0000 -119.42990 -117.08155 2.34835 1.87565 -116.82699 426.32106
7630.0000 -119.09091 -116.65600 2.43491 1.87129 -116.88451 420.12541
7635.0000 -118.87787 -115.79104 3.08683 1.91220 -116.34418 462.61371
7640.0000 -119.14662 -116.39485 2.75177 1.94065 -115.96842 486.75932
7645.0000 -119.54315 -116.63929 2.90386 1.93061 -116.10110 465.94972
7650.0000 -119.24710 -116.61139 2.63572 1.91086 -116.36189 450.62502
7655.0000 -119.33961 -116.29351 3.04610 1.89477 -116.57447 440.41354
7660.0000 -119.21512 -116.36775 2.84738 1.91136 -116.35534 447.88628
7665.0000 -118.91514 -115.90877 3.00638 1.91001 -116.37317 454.96436
7670.0000 -118.94898 -116.04282 2.90617 1.94786 -115.87323 486.10679
7675.0000 -119.57481 -116.95048 2.62432 1.88577 -116.69335 421.27352
7680.0000 -119.46527 -116.58876 2.87651 1.88798 -116.66410 422.05109
7685.0000 -119.07957 -116.44856 2.63101 1.88586 -116.69205 406.27389
7690.0000 -119.27691 -116.71119 2.56573 1.90539 -116.43411 413.21653
7695.0000 -119.41832 -116.08813 3.33019 1.90710 -116.41156 425.33155
7700.0000 -119.01370 -115.39037 3.62333 1.93986 -115.97893 473.32137
7705.0000 -119.04152 -116.26821 2.77331 1.93671 -116.02047 476.24302
7710.0000 -118.49413 -115.97239 2.52174 1.91278 -116.33662 428.06419
7715.0000 -118.75336 -115.28775 3.46560 1.93547 -116.03689 432.66925
7720.0000 -117.99598 -115.18932 2.80666 1.97622 -115.49860 475.00760
7725.0000 -118.80701 -116.20298 2.60403 1.94324 -115.93430 426.37456
7730.0000 -119.48703 -116.92523 2.56180 1.89843 -116.52609 429.22696
7735.0000 -119.17287 -116.62594 2.54693 1.87662 -116.81411 411.68448
7740.0000 -119.01016 -116.29035 2.71981 1.91497 -116.30764 430.35960
7745.0000 -118.32928 -115.18615 3.14312 1.94333 -115.93312 471.57047
7750.0000 -118.38862 -114.83606 3.55256 2.00033 -115.18019 523.70082
FREEZING PROCESS: loop number 32 T-loop= 428.00000000000000
main_MD> interactions number 32 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.47154 2.76172 -3.27033
force_rgl> df(natom) -2.10971 0.98632 3.54879
7755.0000 -118.36871 -115.46335 2.90536 1.98076 -115.43865 498.64784
7760.0000 -118.77802 -116.11898 2.65904 1.94842 -115.86586 468.31148
7765.0000 -118.72697 -115.92265 2.80431 1.93634 -116.02534 437.09855
7770.0000 -118.78547 -116.02573 2.75974 1.95580 -115.76832 472.71483
7775.0000 -119.09037 -116.66904 2.42133 1.92126 -116.22454 450.43090
7780.0000 -118.84984 -116.50616 2.34368 1.92421 -116.18559 451.98185
7785.0000 -118.94894 -116.70999 2.23896 1.90872 -116.39016 416.76714
7790.0000 -119.51860 -116.89250 2.62609 1.88902 -116.65044 411.62179
7795.0000 -119.68952 -116.76664 2.92288 1.84886 -117.18077 399.87788
7800.0000 -119.77590 -117.32918 2.44672 1.84200 -117.27145 409.85602
7805.0000 -119.42301 -117.12554 2.29747 1.86332 -116.98984 433.65991
7810.0000 -119.34539 -116.75907 2.58632 1.86584 -116.95651 425.53213
7815.0000 -119.46376 -117.01735 2.44640 1.87040 -116.89628 432.61838
7820.0000 -119.82639 -117.10722 2.71917 1.86084 -117.02263 433.54259
7825.0000 -120.12568 -117.36122 2.76446 1.86115 -117.01850 434.88286
7830.0000 -120.05417 -117.28645 2.76772 1.82447 -117.50295 396.08759
7835.0000 -119.55317 -117.19792 2.35526 1.83909 -117.30985 413.94320
7840.0000 -119.69722 -117.49781 2.19941 1.82348 -117.51607 399.94275
7845.0000 -119.58307 -117.11675 2.46631 1.83291 -117.39147 408.55706
7850.0000 -119.48694 -117.18688 2.30006 1.85809 -117.05882 428.10886
7855.0000 -120.06264 -116.96850 3.09414 1.85295 -117.12681 411.15660
7860.0000 -119.51712 -117.04902 2.46810 1.87224 -116.87199 419.35597
7865.0000 -119.57954 -117.21942 2.36012 1.86819 -116.92545 439.51524
7870.0000 -119.87777 -117.05223 2.82554 1.85442 -117.10731 429.27130
7875.0000 -119.52995 -116.96762 2.56233 1.83989 -117.29920 407.73717
7880.0000 -119.72435 -116.22621 3.49813 1.89661 -116.55008 475.94808
7885.0000 -120.11890 -117.38507 2.73383 1.89487 -116.57312 457.26178
7890.0000 -119.89696 -117.42072 2.47624 1.79639 -117.87377 368.50494
7895.0000 -119.73638 -117.23075 2.50563 1.81138 -117.67587 385.64483
7900.0000 -119.87641 -118.11303 1.76338 1.83632 -117.34646 412.04141
7905.0000 -120.39178 -117.61989 2.77188 1.78868 -117.97559 365.30922
7910.0000 -119.44877 -117.03287 2.41590 1.82167 -117.53996 395.13996
7915.0000 -119.48987 -116.92634 2.56354 1.87181 -116.87766 445.72347
7920.0000 -119.55890 -116.98849 2.57041 1.88618 -116.68784 454.17093
7925.0000 -120.37808 -117.59974 2.77833 1.83888 -117.31257 417.90959
7930.0000 -120.08062 -117.34115 2.73947 1.83035 -117.42529 413.29143
7935.0000 -119.36023 -116.83239 2.52785 1.83594 -117.35147 422.01374
7940.0000 -120.18910 -117.25147 2.93763 1.81258 -117.65992 397.36249
7945.0000 -120.23211 -117.81823 2.41388 1.80597 -117.74722 395.33920
7950.0000 -120.11938 -117.24544 2.87393 1.83594 -117.35138 422.66222
7955.0000 -119.39522 -116.74287 2.65235 1.88445 -116.71077 458.37846
7960.0000 -119.67282 -116.92837 2.74445 1.86274 -116.99751 431.90948
7965.0000 -119.16920 -116.66250 2.50670 1.86692 -116.94230 456.40618
7970.0000 -120.15000 -117.08679 3.06321 1.88706 -116.67632 458.56040
7975.0000 -119.84121 -116.95946 2.88175 1.85726 -117.06989 428.83754
7980.0000 -119.61821 -117.23157 2.38664 1.85464 -117.10449 433.39729
7985.0000 -119.67697 -117.18325 2.49372 1.86337 -116.98919 447.06704
7990.0000 -119.75820 -117.36571 2.39249 1.84021 -117.29498 415.40461
7995.0000 -119.74525 -116.97123 2.77401 1.84681 -117.20783 426.68322
8000.0000 -119.47428 -117.08095 2.39333 1.84715 -117.20340 426.30880
FREEZING PROCESS: loop number 33 T-loop= 403.00000000000000
main_MD> interactions number 33 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.17630 -1.87266 -1.94742
force_rgl> df(natom) 1.72526 -0.36328 -1.18206
8005.0000 -120.03296 -117.74741 2.28555 1.82775 -117.45965 410.35992
8010.0000 -119.15515 -116.65270 2.50245 1.84682 -117.20775 425.76619
8015.0000 -119.62063 -116.67639 2.94424 1.88009 -116.76836 430.75597
8020.0000 -120.34980 -117.88366 2.46614 1.86005 -117.03301 428.86224
8025.0000 -120.28019 -117.63608 2.64411 1.81010 -117.69277 396.19799
8030.0000 -119.98821 -117.64218 2.34603 1.81121 -117.67810 393.64073
8035.0000 -119.57722 -117.16938 2.40784 1.83074 -117.42013 414.73442
8040.0000 -120.02045 -118.02838 1.99207 1.81728 -117.59788 408.42976
8045.0000 -120.15301 -117.82339 2.32961 1.80723 -117.73068 398.02454
8050.0000 -120.20957 -117.46621 2.74336 1.81242 -117.66209 402.75216
8055.0000 -119.92108 -116.94667 2.97441 1.84855 -117.18495 430.74298
8060.0000 -120.58972 -118.06585 2.52386 1.79739 -117.86058 377.35125
8065.0000 -119.97388 -117.47997 2.49390 1.83118 -117.41430 424.87372
8070.0000 -119.76049 -117.19299 2.56750 1.83054 -117.42279 410.78695
8075.0000 -119.14840 -116.99461 2.15379 1.84233 -117.26698 424.23666
8080.0000 -119.75279 -116.89845 2.85434 1.86004 -117.03317 435.40737
8085.0000 -119.65242 -117.00665 2.64577 1.85684 -117.07546 420.40008
8090.0000 -119.88796 -117.09552 2.79244 1.86761 -116.93310 441.96749
8095.0000 -120.25752 -117.66965 2.58787 1.86236 -117.00246 434.42037
8100.0000 -120.06562 -117.75527 2.31035 1.81013 -117.69236 394.23898
8105.0000 -119.95978 -117.76022 2.19956 1.80539 -117.75498 387.87884
8110.0000 -120.39621 -118.24673 2.14947 1.79365 -117.91000 372.23403
8115.0000 -119.93547 -117.67919 2.25628 1.79393 -117.90630 376.49772
8120.0000 -120.02183 -117.80932 2.21252 1.80137 -117.80799 386.84320
8125.0000 -119.90598 -117.54478 2.36119 1.81056 -117.68661 374.01995
8130.0000 -119.59122 -117.13488 2.45633 1.82932 -117.43881 397.72089
8135.0000 -120.25352 -117.51842 2.73510 1.82526 -117.49254 400.54657
8140.0000 -120.12681 -117.23695 2.88987 1.83156 -117.40928 404.01537
8145.0000 -119.53524 -116.92213 2.61311 1.84618 -117.21624 425.92151
8150.0000 -119.56728 -117.36791 2.19937 1.82136 -117.54400 400.83550
8155.0000 -120.40948 -117.77074 2.63874 1.80342 -117.78095 387.40237
8160.0000 -119.44837 -117.28728 2.16108 1.80733 -117.72926 382.82146
8165.0000 -120.50097 -117.80976 2.69121 1.83236 -117.39866 416.30466
8170.0000 -120.24715 -118.12762 2.11953 1.79210 -117.93050 371.40132
8175.0000 -120.12491 -117.89775 2.22717 1.76694 -118.26281 350.89250
8180.0000 -120.55465 -117.87072 2.68393 1.79898 -117.83963 388.20977
8185.0000 -120.34105 -117.70658 2.63447 1.80380 -117.77594 384.29500
8190.0000 -120.55435 -118.26822 2.28613 1.79637 -117.87406 379.63890
8195.0000 -120.51739 -118.11125 2.40614 1.77078 -118.21211 355.15608
8200.0000 -120.15308 -117.41352 2.73956 1.80774 -117.72392 392.18969
8205.0000 -120.33017 -117.76529 2.56488 1.83855 -117.31690 418.75589
8210.0000 -119.90286 -117.39990 2.50296 1.79047 -117.95195 374.34293
8215.0000 -120.21938 -117.77163 2.44775 1.83538 -117.35882 419.51595
8220.0000 -119.62945 -117.16113 2.46832 1.81863 -117.58003 400.91227
8225.0000 -120.29806 -118.12364 2.17441 1.82360 -117.51439 404.31805
8230.0000 -119.70471 -117.11059 2.59412 1.81654 -117.60765 396.95151
8235.0000 -119.73950 -117.92403 1.81547 1.80641 -117.74148 389.82889
8240.0000 -119.71845 -117.41668 2.30177 1.82990 -117.43118 404.69958
8245.0000 -120.34759 -117.27244 3.07515 1.79461 -117.89725 386.19844
8250.0000 -120.01995 -117.96196 2.05799 1.81547 -117.62184 395.31877
FREEZING PROCESS: loop number 34 T-loop= 378.00000000000000
main_MD> interactions number 34 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19464 2.31199 1.70391
force_rgl> df(natom) 0.59236 2.01439 1.70940
8255.0000 -120.21906 -118.17943 2.03963 1.76904 -118.23506 347.98927
8260.0000 -119.62368 -117.19856 2.42513 1.79825 -117.84924 379.91667
8265.0000 -119.77627 -117.31258 2.46369 1.83060 -117.42200 408.28068
8270.0000 -120.49169 -117.59943 2.89225 1.84279 -117.26091 419.31768
8275.0000 -120.01317 -117.84075 2.17243 1.79655 -117.87171 384.06259
8280.0000 -120.86693 -118.37585 2.49109 1.77856 -118.10931 363.48326
8285.0000 -120.55839 -118.58847 1.96991 1.73584 -118.67355 322.02904
8290.0000 -119.98025 -117.65647 2.32379 1.78218 -118.06143 365.83532
8295.0000 -120.15358 -117.48336 2.67021 1.82976 -117.43312 409.32801
8300.0000 -120.18180 -118.01561 2.16619 1.78925 -117.96805 370.60983
8305.0000 -120.76880 -118.49463 2.27418 1.73666 -118.66274 323.16802
8310.0000 -120.30129 -118.14245 2.15884 1.77840 -118.11137 361.90166
8315.0000 -120.18510 -117.86864 2.31646 1.78164 -118.06860 363.22584
8320.0000 -120.28055 -118.02618 2.25437 1.77742 -118.12442 366.14216
8325.0000 -120.60730 -117.96492 2.64238 1.81405 -117.64059 390.67453
8330.0000 -120.28294 -118.45907 1.82387 1.76388 -118.30320 353.44951
8335.0000 -120.41256 -118.04743 2.36513 1.78999 -117.95832 371.49866
8340.0000 -120.34293 -117.86603 2.47690 1.76787 -118.25044 348.50661
8345.0000 -120.06343 -117.87325 2.19018 1.80286 -117.78831 384.25656
8350.0000 -119.86201 -117.80713 2.05489 1.79708 -117.86467 378.99086
8355.0000 -120.18649 -117.59194 2.59454 1.82767 -117.46064 410.67704
8360.0000 -119.96917 -117.19988 2.76929 1.80752 -117.72676 384.15194
8365.0000 -120.35846 -117.95538 2.40308 1.80508 -117.75906 389.12911
8370.0000 -120.66838 -118.36601 2.30237 1.77743 -118.12417 363.11369
8375.0000 -120.18775 -117.92406 2.26369 1.76278 -118.31774 348.51228
8380.0000 -120.27891 -118.18586 2.09305 1.78468 -118.02843 365.41187
8385.0000 -120.34880 -118.45548 1.89332 1.76439 -118.29642 348.06729
8390.0000 -120.19219 -117.96129 2.23090 1.78316 -118.04859 370.47927
8395.0000 -120.59037 -117.98581 2.60456 1.81207 -117.66676 398.58403
8400.0000 -120.31042 -117.98101 2.32941 1.79468 -117.89639 380.04566
8405.0000 -120.31254 -118.24769 2.06484 1.79460 -117.89750 373.96610
8410.0000 -120.25578 -117.79271 2.46307 1.77443 -118.16390 357.55613
8415.0000 -120.02589 -117.31132 2.71457 1.81785 -117.59043 400.64887
8420.0000 -120.03692 -117.58420 2.45272 1.80876 -117.71041 391.19257
8425.0000 -120.23268 -117.62359 2.60909 1.81785 -117.59034 406.99851
8430.0000 -120.02407 -117.58534 2.43873 1.82069 -117.55279 404.56603
8435.0000 -120.37890 -117.92094 2.45797 1.81499 -117.62814 401.50842
8440.0000 -120.46929 -117.93403 2.53526 1.76052 -118.34762 341.03056
8445.0000 -120.17437 -117.89197 2.28239 1.79879 -117.84211 380.54938
8450.0000 -119.87451 -117.04095 2.83357 1.83336 -117.38549 412.55451
8455.0000 -119.61609 -117.27544 2.34065 1.85965 -117.03832 440.48824
8460.0000 -119.82254 -117.05540 2.76713 1.85748 -117.06689 436.81993
8465.0000 -120.46974 -117.89563 2.57411 1.83457 -117.36954 417.65383
8470.0000 -120.68635 -118.24417 2.44218 1.77537 -118.15141 356.10197
8475.0000 -120.40741 -118.26678 2.14063 1.79786 -117.85436 378.28549
8480.0000 -120.29227 -118.47066 1.82161 1.76478 -118.29124 346.12505
8485.0000 -120.84603 -118.32730 2.51874 1.75604 -118.40671 342.24902
8490.0000 -120.51398 -118.67500 1.83899 1.74620 -118.53672 329.75718
8495.0000 -120.02402 -117.71903 2.30498 1.77224 -118.19275 355.21105
8500.0000 -120.47796 -118.22306 2.25490 1.78543 -118.01852 366.37937
FREEZING PROCESS: loop number 35 T-loop= 353.00000000000000
main_MD> interactions number 35 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29078 1.04166 -2.47707
force_rgl> df(natom) 1.63603 -0.32754 -0.92023
8505.0000 -119.88518 -118.12982 1.75536 1.77446 -118.16338 353.98475
8510.0000 -120.33322 -118.46386 1.86936 1.74204 -118.59164 316.10324
8515.0000 -120.86086 -118.85119 2.00967 1.74860 -118.50494 322.83974
8520.0000 -120.32078 -117.92612 2.39467 1.75920 -118.36505 343.94158
8525.0000 -120.05054 -117.74479 2.30575 1.80700 -117.73365 378.30186
8530.0000 -120.18590 -118.01719 2.16871 1.81106 -117.68010 378.15815
8535.0000 -120.43950 -118.60925 1.83025 1.77070 -118.21315 336.34980
8540.0000 -120.59340 -118.44891 2.14449 1.75179 -118.46285 316.77664
8545.0000 -120.04831 -117.93234 2.11598 1.77865 -118.10805 354.16790
8550.0000 -120.56594 -118.18282 2.38312 1.78052 -118.08340 366.54451
8555.0000 -120.20210 -118.17573 2.02638 1.75964 -118.35919 346.40479
8560.0000 -120.38244 -117.87672 2.50572 1.79079 -117.94781 383.74111
8565.0000 -120.33843 -117.91014 2.42829 1.78267 -118.05495 369.00181
8570.0000 -120.45700 -118.15291 2.30409 1.76635 -118.27062 347.64272
8575.0000 -120.29544 -117.99671 2.29873 1.76893 -118.23645 355.06122
8580.0000 -120.40562 -118.10451 2.30111 1.78236 -118.05911 359.22520
8585.0000 -120.51978 -118.02529 2.49449 1.76667 -118.26633 351.56241
8590.0000 -120.39515 -118.17832 2.21682 1.78388 -118.03905 364.50256
8595.0000 -119.99881 -118.17259 1.82622 1.77920 -118.10088 361.86476
8600.0000 -120.32759 -118.37040 1.95718 1.73787 -118.64676 321.43864
8605.0000 -120.74766 -118.32795 2.41971 1.75625 -118.40390 341.98303
8610.0000 -120.65315 -118.47836 2.17479 1.75978 -118.35735 344.00027
8615.0000 -119.58512 -117.60725 1.97787 1.79433 -117.90095 376.55444
8620.0000 -120.28916 -118.04299 2.24617 1.81085 -117.68288 388.65702
8625.0000 -119.82561 -117.58784 2.23778 1.79209 -117.93054 370.90062
8630.0000 -120.07196 -118.17981 1.89214 1.79687 -117.86749 382.37164
8635.0000 -120.40721 -118.60034 1.80686 1.77172 -118.19960 350.86738
8640.0000 -120.40817 -118.48503 1.92314 1.73019 -118.74816 310.02247
8645.0000 -120.58941 -117.98110 2.60832 1.76634 -118.27074 347.92690
8650.0000 -120.06502 -118.07258 1.99244 1.79692 -117.86675 383.58251
8655.0000 -120.09003 -117.70777 2.38226 1.78037 -118.08537 362.50838
8660.0000 -120.57873 -118.09546 2.48327 1.79411 -117.90396 385.30888
8665.0000 -120.41708 -118.55943 1.85765 1.74078 -118.60831 323.89677
8670.0000 -120.49753 -118.15493 2.34260 1.78515 -118.02224 372.87002
8675.0000 -120.61108 -118.51967 2.09141 1.74560 -118.54466 330.06636
8680.0000 -120.80436 -118.67164 2.13272 1.74592 -118.54038 328.81404
8685.0000 -120.21310 -118.34178 1.87132 1.73383 -118.70010 317.37901
8690.0000 -120.49320 -118.26900 2.22420 1.76564 -118.27997 355.56954
8695.0000 -120.44250 -117.89963 2.54287 1.78146 -118.07103 370.15199
8700.0000 -119.94515 -118.20129 1.74386 1.78070 -118.08108 364.06180
8705.0000 -120.49894 -118.20831 2.29063 1.79668 -117.86992 387.71756
8710.0000 -120.63117 -118.53876 2.09241 1.76538 -118.28342 350.01558
8715.0000 -120.72364 -118.47851 2.24513 1.75875 -118.37099 343.03749
8720.0000 -120.06681 -118.22035 1.84646 1.75607 -118.40639 341.21741
8725.0000 -120.24482 -118.12841 2.11641 1.75344 -118.44101 335.43964
8730.0000 -120.81279 -118.09336 2.71943 1.76759 -118.25414 341.58563
8735.0000 -120.05544 -117.86311 2.19233 1.79534 -117.88770 370.98306
8740.0000 -120.34705 -118.01607 2.33098 1.78364 -118.04214 362.51619
8745.0000 -120.64260 -118.86494 1.77766 1.76754 -118.25478 350.15497
8750.0000 -120.48886 -118.63541 1.85345 1.72837 -118.77222 307.64605
FREEZING PROCESS: loop number 36 T-loop= 328.00000000000000
main_MD> interactions number 36 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.82667 0.86595 -0.08100
force_rgl> df(natom) 2.84567 2.17962 2.66383
8755.0000 -120.29314 -118.43702 1.85612 1.74051 -118.61183 322.94531
8760.0000 -120.48966 -118.36088 2.12878 1.74622 -118.53644 323.80014
8765.0000 -120.92050 -118.78772 2.13278 1.73293 -118.71195 318.24859
8770.0000 -121.06910 -119.36539 1.70371 1.72264 -118.84790 309.88301
8775.0000 -120.62812 -118.70363 1.92449 1.71523 -118.94581 295.81591
8780.0000 -120.48039 -118.54950 1.93088 1.72071 -118.87335 308.75306
8785.0000 -120.13945 -117.95553 2.18391 1.76230 -118.32401 344.98080
8790.0000 -120.97447 -119.13837 1.83610 1.73762 -118.65008 320.12563
8795.0000 -120.81872 -118.77845 2.04027 1.73023 -118.74762 313.31024
8800.0000 -120.05804 -118.06760 1.99043 1.74922 -118.49684 330.13066
8805.0000 -120.88877 -118.93158 1.95719 1.74262 -118.58403 320.10159
8810.0000 -120.78191 -118.56719 2.21472 1.74456 -118.55830 328.12217
8815.0000 -120.24783 -118.13729 2.11053 1.75263 -118.45172 340.07557
8820.0000 -120.25358 -118.33282 1.92076 1.76037 -118.34949 343.34743
8825.0000 -121.06558 -118.57397 2.49161 1.76130 -118.33727 351.68904
8830.0000 -120.79334 -118.72114 2.07220 1.72790 -118.77834 314.40729
8835.0000 -120.29858 -118.04816 2.25042 1.74531 -118.54847 334.10221
8840.0000 -120.58692 -118.02317 2.56375 1.77891 -118.10469 366.08350
8845.0000 -120.57490 -118.95003 1.62486 1.74447 -118.55952 330.28083
8850.0000 -120.65226 -119.13115 1.52111 1.73448 -118.69154 319.88753
8855.0000 -120.96369 -118.64731 2.31638 1.71245 -118.98248 294.62372
8860.0000 -120.68280 -118.45785 2.22494 1.73416 -118.69567 318.07965
8865.0000 -120.77526 -118.27702 2.49824 1.75678 -118.39691 342.69506
8870.0000 -120.49239 -118.16622 2.32617 1.77663 -118.13473 354.40758
8875.0000 -120.55132 -118.13532 2.41600 1.78733 -117.99353 366.96708
8880.0000 -120.45812 -118.60696 1.85116 1.75022 -118.48355 321.14764
8885.0000 -120.59710 -118.67061 1.92649 1.73948 -118.62544 315.21170
8890.0000 -120.81513 -118.43212 2.38301 1.73959 -118.62401 320.52757
8895.0000 -120.50439 -118.31244 2.19196 1.75439 -118.42854 341.81871
8900.0000 -120.56220 -118.50001 2.06220 1.75812 -118.37923 339.55512
8905.0000 -120.63244 -118.58058 2.05187 1.75698 -118.39428 342.79547
8910.0000 -120.47590 -118.46693 2.00896 1.75388 -118.43522 339.79476
8915.0000 -120.12512 -117.91921 2.20591 1.78083 -118.07935 367.92335
8920.0000 -120.50342 -117.54058 2.96284 1.80087 -117.81469 384.26013
8925.0000 -120.58818 -118.52261 2.06558 1.78551 -118.01756 365.54247
8930.0000 -120.83528 -118.95464 1.88064 1.73008 -118.74957 304.47498
8935.0000 -120.69594 -118.11982 2.57612 1.74526 -118.54914 325.01898
8940.0000 -120.46135 -118.65593 1.80541 1.75848 -118.37457 342.02316
8945.0000 -120.33209 -118.73642 1.59566 1.74312 -118.57743 332.84167
8950.0000 -120.85334 -118.56479 2.28855 1.74917 -118.49752 329.82073
8955.0000 -120.76042 -118.56619 2.19423 1.74319 -118.57645 323.30171
8960.0000 -120.48267 -118.68035 1.80232 1.74371 -118.56962 327.30385
8965.0000 -120.14862 -118.26846 1.88016 1.74612 -118.53776 338.04674
8970.0000 -120.23471 -118.21129 2.02341 1.76280 -118.31746 347.57265
8975.0000 -120.51299 -118.51652 1.99647 1.76749 -118.25554 348.04779
8980.0000 -120.70039 -118.78521 1.91518 1.72891 -118.76511 313.83551
8985.0000 -120.38850 -118.28631 2.10218 1.75823 -118.37783 340.72163
8990.0000 -120.40760 -118.40806 1.99953 1.76181 -118.33047 340.29952
8995.0000 -120.77610 -118.45063 2.32547 1.75043 -118.48084 335.19913
9000.0000 -120.44454 -118.48926 1.95528 1.74733 -118.52173 328.15583
FREEZING PROCESS: loop number 37 T-loop= 303.00000000000000
main_MD> interactions number 37 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04727 4.90612 1.58141
force_rgl> df(natom) -0.37458 0.75135 -0.03461
9005.0000 -121.32249 -119.38716 1.93532 1.71080 -119.00428 299.88009
9010.0000 -120.71979 -119.29334 1.42645 1.67598 -119.46418 264.82961
9015.0000 -120.93934 -119.09385 1.84549 1.69714 -119.18465 283.48495
9020.0000 -120.82230 -118.62699 2.19531 1.72182 -118.85864 312.18550
9025.0000 -120.86325 -118.78892 2.07433 1.72403 -118.82953 310.59006
9030.0000 -120.53063 -118.40603 2.12459 1.74336 -118.57416 325.23689
9035.0000 -120.89498 -118.82025 2.07473 1.72387 -118.83158 303.07781
9040.0000 -121.13684 -119.34525 1.79158 1.71413 -118.96031 286.95271
9045.0000 -120.97229 -119.33500 1.63729 1.69253 -119.24557 273.75964
9050.0000 -120.97941 -119.19179 1.78762 1.68634 -119.32738 263.09800
9055.0000 -120.47199 -118.70102 1.77098 1.72326 -118.83964 301.78447
9060.0000 -120.42908 -118.48506 1.94402 1.71585 -118.93752 296.08987
9065.0000 -120.90013 -119.54675 1.35339 1.70308 -119.10621 281.53569
9070.0000 -120.85101 -118.89124 1.95977 1.69822 -119.17039 276.24071
9075.0000 -120.66699 -118.65319 2.01380 1.70862 -119.03306 285.10771
9080.0000 -120.50820 -118.47662 2.03158 1.73590 -118.67274 317.74689
9085.0000 -120.76053 -118.97542 1.78511 1.73091 -118.73859 315.02778
9090.0000 -120.60876 -118.67928 1.92948 1.72655 -118.79620 309.65598
9095.0000 -120.59091 -118.98519 1.60572 1.73388 -118.69946 317.68131
9100.0000 -120.79365 -118.94212 1.85153 1.72565 -118.80806 311.82972
9105.0000 -120.32843 -118.49625 1.83218 1.70937 -119.02314 290.78217
9110.0000 -120.45378 -118.49971 1.95407 1.75256 -118.45276 342.53334
9115.0000 -120.67893 -118.81829 1.86064 1.75777 -118.38388 340.48281
9120.0000 -121.05102 -119.24357 1.80746 1.72114 -118.86769 307.74949
9125.0000 -120.98596 -118.86555 2.12041 1.70949 -119.02161 295.84436
9130.0000 -120.78707 -119.29780 1.48927 1.70453 -119.08704 288.86123
9135.0000 -121.17185 -119.32703 1.84482 1.68235 -119.37999 265.28247
9140.0000 -120.86536 -119.25484 1.61053 1.69126 -119.26234 274.20214
9145.0000 -120.78472 -118.78291 2.00181 1.69438 -119.22117 277.56480
9150.0000 -120.86492 -118.85819 2.00673 1.74378 -118.56866 327.69442
9155.0000 -120.22958 -118.48774 1.74184 1.73100 -118.73740 316.58485
9160.0000 -120.74725 -118.77498 1.97226 1.74856 -118.50552 332.27999
9165.0000 -120.52887 -118.95733 1.57154 1.71851 -118.90246 302.52918
9170.0000 -120.75589 -119.21838 1.53751 1.70628 -119.06389 287.34862
9175.0000 -120.72695 -118.97015 1.75680 1.68874 -119.29558 270.07552
9180.0000 -120.47998 -118.96150 1.51848 1.70040 -119.14161 285.89951
9185.0000 -120.54071 -118.73582 1.80489 1.72380 -118.83256 308.69020
9190.0000 -120.68896 -118.75122 1.93774 1.73203 -118.72382 318.41197
9195.0000 -120.92247 -118.70002 2.22245 1.72149 -118.86313 305.69126
9200.0000 -120.61912 -118.82261 1.79651 1.72079 -118.87229 310.49001
9205.0000 -120.32229 -118.44658 1.87570 1.73161 -118.72938 308.02577
9210.0000 -120.67979 -119.12514 1.55465 1.71274 -118.97861 290.59574
9215.0000 -120.85379 -118.62798 2.22581 1.72078 -118.87249 305.27888
9220.0000 -120.82419 -118.95187 1.87232 1.74280 -118.58154 324.14492
9225.0000 -120.77798 -118.90228 1.87570 1.71856 -118.90175 303.19476
9230.0000 -120.62475 -118.92921 1.69555 1.72619 -118.80094 308.57806
9235.0000 -120.81218 -118.24777 2.56441 1.73046 -118.74464 316.86716
9240.0000 -120.64021 -118.47135 2.16886 1.75882 -118.37003 342.41301
9245.0000 -120.60922 -118.76849 1.84073 1.73474 -118.68812 325.62792
9250.0000 -120.61815 -119.00457 1.61358 1.70656 -119.06021 292.41470
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 35.5771834 [s].
main_MD> Deallocating global variables
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