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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_52/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_52.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 = 52 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 52 5200
main_MD> Size of nv and nvoiz: 52 5200
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 = 52
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.15452002605542084 6.6487236311502870E-002 -0.12360069103809170 initial drift of cluster / NP1 for coalescence
init> 0.33547398126856742 0.30478788956324260 0.28226093244861300 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8651389752828026E-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) 2.23330 2.21060 0.89774
force_rgl> df(natom) -0.16589 -8.03301 3.45000
preparo> THERMALIZATION PROCESS AT 1294.0663887561343
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -106.78841038635045 10.555089310878911 -117.34349969722936 7.1954241814731472E-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 39
FREEZING PROCESS: loop number 1 T-loop= 1271.0000000000000
main_MD> interactions number 1 at Temperature= 1271.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26931 2.68123 1.19890
force_rgl> df(natom) -0.27621 0.32594 0.36242
5.0000 -117.81670 -106.66225 11.15446 3.27669 -107.75035 1446.90904
10.0000 -120.92030 -112.00632 8.91398 3.07419 -110.57152 1276.13625
15.0000 -118.61992 -109.87880 8.74112 3.09240 -110.31783 1341.60912
20.0000 -121.66191 -111.93884 9.72307 3.02675 -111.23238 1253.03411
25.0000 -118.41922 -110.29013 8.12909 3.01706 -111.36745 1286.78491
30.0000 -119.83046 -110.06255 9.76791 3.09720 -110.25089 1289.78457
35.0000 -121.21046 -113.77203 7.43843 2.93858 -112.46069 1177.01220
40.0000 -116.97237 -110.09037 6.88200 3.00445 -111.54303 1242.27023
45.0000 -118.15542 -109.32863 8.82679 3.14614 -109.56911 1366.63432
50.0000 -118.66038 -110.45632 8.20405 3.14395 -109.59968 1387.31423
55.0000 -121.73905 -112.80696 8.93210 2.97476 -111.95673 1236.46422
60.0000 -118.80737 -110.20808 8.59929 3.00341 -111.55758 1247.71329
65.0000 -119.84158 -112.36743 7.47416 3.02163 -111.30368 1235.08954
70.0000 -120.11803 -110.42014 9.69789 3.00563 -111.52672 1239.11990
75.0000 -118.57711 -107.90600 10.67111 3.18688 -109.00152 1404.84123
80.0000 -118.18484 -110.38878 7.79606 3.14547 -109.57839 1344.94656
85.0000 -120.96502 -111.49306 9.47196 3.00863 -111.48478 1281.70028
90.0000 -118.82798 -109.86091 8.96707 3.05264 -110.87171 1289.40829
95.0000 -115.64078 -106.30124 9.33954 3.29741 -107.46174 1461.32412
100.0000 -121.07606 -112.92257 8.15349 3.05070 -110.89875 1266.34629
105.0000 -119.08199 -111.84908 7.23291 2.91572 -112.77918 1193.28338
110.0000 -120.78918 -113.33727 7.45191 2.89277 -113.09895 1140.28816
115.0000 -121.69569 -113.74275 7.95294 2.83787 -113.86384 1100.99014
120.0000 -119.70778 -112.77843 6.92935 2.86391 -113.50100 1139.50151
125.0000 -118.62235 -109.25452 9.36783 3.04819 -110.93368 1257.81901
130.0000 -118.69455 -110.20654 8.48800 3.15527 -109.44193 1357.97336
135.0000 -118.01856 -108.60106 9.41750 3.23029 -108.39681 1436.89738
140.0000 -118.45899 -109.97397 8.48502 3.11864 -109.95230 1314.21925
145.0000 -118.12615 -109.46651 8.65964 3.09128 -110.33346 1273.21168
150.0000 -116.36712 -108.31787 8.04925 3.23088 -108.38857 1446.26328
155.0000 -116.69367 -108.83532 7.85835 3.21964 -108.54515 1406.72518
160.0000 -118.79623 -110.06921 8.72702 3.18777 -108.98917 1382.35249
165.0000 -116.58617 -106.88751 9.69866 3.28872 -107.58270 1407.91364
170.0000 -117.69602 -108.24331 9.45271 3.23607 -108.31620 1398.93630
175.0000 -120.87767 -112.45401 8.42366 3.08712 -110.39135 1302.36964
180.0000 -119.90468 -111.17643 8.72825 3.00899 -111.47990 1222.81701
185.0000 -120.79970 -113.44612 7.35358 2.97511 -111.95187 1215.96140
190.0000 -120.93566 -112.72992 8.20573 2.93492 -112.51178 1242.30060
195.0000 -121.27085 -113.08559 8.18526 2.87998 -113.27716 1167.69866
200.0000 -122.09289 -112.78222 9.31067 2.92220 -112.68896 1195.56575
205.0000 -120.15587 -112.20524 7.95063 2.90191 -112.97157 1219.05760
210.0000 -120.33258 -111.72018 8.61240 2.99105 -111.72979 1250.23198
215.0000 -120.82079 -111.99094 8.82985 2.96875 -112.04039 1219.36970
220.0000 -118.56754 -109.84286 8.72469 3.03111 -111.17162 1277.97174
225.0000 -117.76526 -108.19493 9.57033 3.26577 -107.90247 1387.60269
230.0000 -118.55209 -109.15410 9.39798 3.22173 -108.51596 1449.94614
235.0000 -120.06896 -110.91701 9.15195 3.09710 -110.25227 1342.69626
240.0000 -120.35489 -110.37277 9.98212 3.08048 -110.48393 1303.17923
245.0000 -119.88676 -111.58534 8.30141 3.04116 -111.03167 1249.47100
250.0000 -119.16251 -109.04607 10.11644 3.08392 -110.43590 1338.17574
FREEZING PROCESS: loop number 2 T-loop= 1246.0000000000000
main_MD> interactions number 2 at Temperature= 1246.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08900 0.55444 -2.08975
force_rgl> df(natom) -2.79705 0.68154 3.12639
255.0000 -119.68923 -111.80599 7.88323 3.07503 -110.55975 1290.48216
260.0000 -120.13239 -112.39481 7.73759 2.95633 -112.21354 1234.61592
265.0000 -120.11075 -112.36130 7.74945 2.93060 -112.57198 1192.04618
270.0000 -118.30124 -110.30224 7.99900 3.04641 -110.95855 1275.43393
275.0000 -118.53016 -109.21065 9.31951 3.10887 -110.08840 1364.90709
280.0000 -118.17165 -107.93474 10.23691 3.16425 -109.31682 1359.30555
285.0000 -117.74800 -110.16676 7.58124 3.17421 -109.17800 1335.04215
290.0000 -119.26807 -112.23284 7.03523 3.02887 -111.20291 1272.21378
295.0000 -120.01287 -111.80798 8.20489 3.02387 -111.27257 1269.19056
300.0000 -120.35554 -112.44302 7.91252 2.95115 -112.28571 1235.18288
305.0000 -119.01804 -109.71146 9.30658 3.04445 -110.98587 1282.43227
310.0000 -119.37804 -110.20582 9.17221 3.13765 -109.68732 1350.68041
315.0000 -119.87986 -111.59265 8.28722 3.03706 -111.08882 1269.19746
320.0000 -118.68523 -111.02663 7.65860 2.99667 -111.65152 1207.96499
325.0000 -121.95662 -113.23755 8.71907 3.00350 -111.55635 1280.60903
330.0000 -121.90050 -113.87022 8.03027 2.75366 -115.03707 1071.75350
335.0000 -119.79467 -113.15977 6.63490 2.85950 -113.56249 1150.59329
340.0000 -119.55701 -112.61971 6.93729 2.96232 -112.13004 1203.71772
345.0000 -119.69424 -111.30475 8.38949 2.96519 -112.08998 1178.82746
350.0000 -118.85661 -111.82995 7.02666 2.95407 -112.24499 1203.95035
355.0000 -118.23445 -111.24998 6.98447 2.95311 -112.25830 1185.36198
360.0000 -119.96742 -111.71265 8.25477 3.01793 -111.35525 1276.27102
365.0000 -117.67611 -110.46842 7.20769 3.04526 -110.97457 1268.46237
370.0000 -119.77652 -112.34145 7.43507 3.01134 -111.44707 1231.67535
375.0000 -119.95736 -111.46541 8.49194 2.95861 -112.18173 1237.16863
380.0000 -122.46061 -113.79718 8.66342 2.95804 -112.18963 1263.78391
385.0000 -118.86722 -111.15283 7.71438 2.94616 -112.35513 1203.03904
390.0000 -118.92475 -111.11944 7.80531 3.05486 -110.84082 1262.31899
395.0000 -118.90349 -109.78282 9.12067 3.08582 -110.40942 1312.21331
400.0000 -119.60858 -111.03964 8.56895 3.04934 -110.91768 1302.07122
405.0000 -121.34490 -112.21603 9.12887 2.97553 -111.94594 1229.59796
410.0000 -120.99228 -112.47098 8.52130 2.93558 -112.50255 1201.29011
415.0000 -120.28054 -111.11476 9.16578 2.96905 -112.03621 1255.07453
420.0000 -121.16080 -111.84950 9.31130 3.02698 -111.22917 1267.04828
425.0000 -121.29415 -113.16816 8.12599 2.98260 -111.84751 1240.38427
430.0000 -121.22436 -113.88198 7.34238 2.85134 -113.67617 1103.23173
435.0000 -120.68857 -113.44651 7.24206 2.91197 -112.83144 1160.11454
440.0000 -119.79389 -112.16430 7.62959 2.85271 -113.65709 1112.97927
445.0000 -119.06102 -111.32616 7.73487 2.99893 -111.61993 1238.34228
450.0000 -119.17795 -109.96640 9.21155 3.06450 -110.70649 1280.47849
455.0000 -118.92890 -111.97001 6.95889 3.03426 -111.12780 1272.52119
460.0000 -118.29644 -110.45384 7.84260 3.03971 -111.05182 1271.31841
465.0000 -120.96015 -113.00447 7.95568 2.90645 -112.90836 1161.07094
470.0000 -117.74637 -109.04686 8.69951 3.06989 -110.63145 1247.58869
475.0000 -119.67135 -110.22346 9.44789 3.10544 -110.13613 1292.28323
480.0000 -118.94381 -109.76587 9.17794 3.12110 -109.91796 1352.89796
485.0000 -118.66518 -109.98149 8.68370 3.14119 -109.63809 1400.99407
490.0000 -120.42072 -112.28607 8.13465 2.98240 -111.85027 1170.69471
495.0000 -120.82323 -113.48533 7.33790 2.96536 -112.08774 1228.79684
500.0000 -118.37692 -109.02328 9.35364 3.04510 -110.97683 1307.85968
FREEZING PROCESS: loop number 3 T-loop= 1221.0000000000000
main_MD> interactions number 3 at Temperature= 1221.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.82939 1.74407 -2.08167
force_rgl> df(natom) -0.87285 -1.44931 -0.70114
505.0000 -120.53745 -113.25180 7.28565 3.05961 -110.77459 1261.37460
510.0000 -119.22856 -112.19815 7.03042 2.90326 -112.95281 1148.49058
515.0000 -119.13635 -110.51121 8.62514 3.02885 -111.20315 1242.95351
520.0000 -119.17854 -111.46324 7.71531 3.03209 -111.15807 1265.37900
525.0000 -119.71321 -113.50571 6.20751 3.00340 -111.55774 1227.95831
530.0000 -120.31387 -112.90175 7.41212 2.87056 -113.40844 1122.76482
535.0000 -119.34212 -111.41642 7.92570 2.91251 -112.82392 1171.54387
540.0000 -120.09260 -110.82878 9.26382 3.03407 -111.13042 1270.81127
545.0000 -118.82882 -109.52907 9.29975 3.14278 -109.61592 1404.24993
550.0000 -121.07563 -112.25215 8.82348 3.10040 -110.20640 1378.25647
555.0000 -119.76233 -111.94634 7.81600 2.94989 -112.30320 1213.64631
560.0000 -119.56994 -110.98582 8.58412 2.96865 -112.04191 1223.26123
565.0000 -120.79241 -110.50052 10.29189 3.05728 -110.80714 1299.75675
570.0000 -119.88972 -112.80325 7.08646 3.00929 -111.47566 1236.07744
575.0000 -122.19377 -114.77787 7.41590 2.89890 -113.01363 1181.96265
580.0000 -119.74816 -112.97701 6.77115 2.87347 -113.36779 1117.04865
585.0000 -120.81817 -111.93530 8.88287 2.96705 -112.06410 1171.27936
590.0000 -121.19435 -113.14897 8.04539 2.90564 -112.91973 1157.32007
595.0000 -119.80477 -111.11901 8.68576 2.96605 -112.07804 1203.58015
600.0000 -119.05474 -110.01270 9.04204 3.08318 -110.44620 1285.15616
605.0000 -120.75009 -110.80713 9.94296 2.99001 -111.74431 1216.48103
610.0000 -121.07381 -114.04963 7.02419 2.96963 -112.02825 1219.60111
615.0000 -121.32524 -113.34732 7.97792 2.89155 -113.11597 1126.80016
620.0000 -119.96891 -110.53149 9.43742 2.98300 -111.84198 1211.70512
625.0000 -120.88678 -114.78839 6.09839 3.00375 -111.55286 1220.46527
630.0000 -121.86482 -114.50028 7.36454 2.74475 -115.16108 1047.70296
635.0000 -120.26900 -111.48515 8.78386 2.99564 -111.66582 1262.70405
640.0000 -118.46455 -110.16250 8.30206 2.98375 -111.83147 1213.16602
645.0000 -119.77916 -110.96992 8.80924 3.13776 -109.68589 1329.49009
650.0000 -118.64644 -111.45402 7.19242 3.07613 -110.54441 1305.11072
655.0000 -118.47364 -110.89402 7.57962 2.99550 -111.66774 1220.80436
660.0000 -120.19642 -112.02975 8.16667 3.06092 -110.75640 1292.54368
665.0000 -117.29848 -109.67073 7.62775 3.04258 -111.01184 1268.51264
670.0000 -120.05707 -109.63477 10.42230 3.07974 -110.49419 1322.52327
675.0000 -120.97382 -112.27850 8.69532 2.98492 -111.81515 1195.99902
680.0000 -121.88854 -112.86561 9.02293 2.90521 -112.92560 1179.90068
685.0000 -120.20336 -112.80794 7.39542 2.94782 -112.33208 1203.79957
690.0000 -119.61887 -111.77559 7.84328 2.94924 -112.31232 1240.63363
695.0000 -119.01615 -110.68533 8.33081 2.95201 -112.27363 1248.76278
700.0000 -118.96887 -112.08040 6.88847 3.02613 -111.24108 1232.89398
705.0000 -120.46796 -112.52878 7.93919 2.90943 -112.86684 1193.73726
710.0000 -121.73207 -114.62742 7.10465 2.78503 -114.60001 1074.89743
715.0000 -120.49017 -113.93697 6.55320 2.77409 -114.75244 1100.94220
720.0000 -121.51501 -113.90625 7.60877 2.89796 -113.02661 1145.61235
725.0000 -119.54341 -111.39815 8.14526 2.87920 -113.28805 1123.55079
730.0000 -118.09063 -110.69864 7.39199 2.96009 -112.16106 1229.47815
735.0000 -118.86039 -109.92250 8.93789 3.04935 -110.91749 1221.21454
740.0000 -118.03111 -110.12350 7.90761 3.08774 -110.38271 1271.12028
745.0000 -118.86809 -109.86891 8.99918 3.12517 -109.86131 1311.67125
750.0000 -118.60424 -109.35099 9.25325 3.18234 -109.06478 1327.29153
FREEZING PROCESS: loop number 4 T-loop= 1196.0000000000000
main_MD> interactions number 4 at Temperature= 1196.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37661 1.01845 1.34120
force_rgl> df(natom) 2.00334 -1.24055 0.05555
755.0000 -119.96822 -112.32441 7.64381 3.08379 -110.43780 1322.21678
760.0000 -120.28781 -112.30525 7.98256 3.00450 -111.54234 1277.43315
765.0000 -120.89117 -111.83275 9.05842 2.96972 -112.02697 1217.38706
770.0000 -120.44244 -112.44109 8.00136 2.98781 -111.77495 1220.54625
775.0000 -121.77148 -113.58481 8.18668 2.84685 -113.73869 1106.64483
780.0000 -119.18515 -111.83765 7.34749 2.92677 -112.62528 1172.27872
785.0000 -120.58908 -113.42368 7.16539 2.88676 -113.18269 1127.49560
790.0000 -121.39620 -113.33497 8.06123 2.82725 -114.01171 1110.68651
795.0000 -119.25947 -110.72810 8.53137 3.03329 -111.14135 1236.59789
800.0000 -120.21149 -114.41744 5.79404 2.94881 -112.31831 1219.47200
805.0000 -121.02834 -112.76992 8.25843 2.86519 -113.48324 1124.83950
810.0000 -121.70220 -111.74588 9.95632 2.95954 -112.16872 1245.38171
815.0000 -119.77794 -111.10281 8.67514 2.99018 -111.74196 1178.32130
820.0000 -120.65631 -112.71821 7.93810 2.90006 -112.99748 1158.76123
825.0000 -119.79412 -111.81591 7.97821 2.96902 -112.03666 1216.84272
830.0000 -120.30096 -112.95073 7.35023 2.96690 -112.06625 1200.83967
835.0000 -119.92407 -111.85174 8.07232 3.02366 -111.27550 1235.68667
840.0000 -120.58342 -113.04004 7.54337 2.92254 -112.68426 1176.74970
845.0000 -119.05708 -113.05302 6.00405 2.89464 -113.07290 1170.62743
850.0000 -120.41646 -112.61287 7.80360 2.90538 -112.92325 1186.80446
855.0000 -121.43742 -112.25909 9.17833 2.98325 -111.83844 1221.09940
860.0000 -123.09565 -113.91592 9.17973 2.91188 -112.83270 1197.82652
865.0000 -122.19440 -112.79831 9.39610 2.87083 -113.40467 1143.14903
870.0000 -118.88241 -111.36039 7.52202 3.03653 -111.09610 1274.15036
875.0000 -120.27214 -110.29921 9.97293 3.04716 -110.94811 1292.18691
880.0000 -120.48613 -112.06870 8.41743 3.05155 -110.88686 1265.38560
885.0000 -119.60301 -111.14292 8.46009 2.99608 -111.65968 1258.87692
890.0000 -120.16695 -113.45589 6.71106 2.98013 -111.88192 1229.77070
895.0000 -120.49774 -113.20249 7.29525 2.92609 -112.63471 1178.16166
900.0000 -120.94768 -112.89682 8.05086 2.86381 -113.50242 1146.02866
905.0000 -119.49638 -112.11289 7.38349 2.94536 -112.36624 1158.80666
910.0000 -120.08614 -111.10444 8.98170 3.03698 -111.08988 1268.97308
915.0000 -117.84489 -108.85298 8.99191 3.12799 -109.82191 1321.01049
920.0000 -119.84418 -110.31171 9.53246 3.16453 -109.31289 1362.65675
925.0000 -120.87522 -112.44240 8.43282 3.07108 -110.61484 1278.33425
930.0000 -120.56876 -111.74905 8.81971 2.96970 -112.02719 1194.56006
935.0000 -120.93009 -111.65072 9.27936 3.01413 -111.40828 1266.63615
940.0000 -118.69841 -111.56837 7.13004 3.00068 -111.59560 1234.28178
945.0000 -121.16073 -114.69847 6.46226 2.90903 -112.87245 1165.16252
950.0000 -119.55667 -112.16950 7.38717 2.85929 -113.56540 1135.98788
955.0000 -120.90982 -112.95532 7.95450 2.91357 -112.80920 1138.77001
960.0000 -121.81972 -113.57073 8.24899 2.84011 -113.83258 1131.81642
965.0000 -120.64598 -113.86117 6.78481 2.85047 -113.68833 1128.43292
970.0000 -121.77089 -112.70455 9.06634 2.87975 -113.28042 1151.92536
975.0000 -122.88773 -113.54325 9.34448 2.87491 -113.34783 1149.54637
980.0000 -120.73005 -112.99502 7.73503 2.82033 -114.10825 1097.18025
985.0000 -119.66803 -111.82800 7.84003 2.86929 -113.42604 1156.26321
990.0000 -118.93593 -110.95810 7.97783 3.09955 -110.21819 1348.88697
995.0000 -122.08098 -113.93181 8.14917 2.97145 -112.00283 1236.85215
1000.0000 -121.12238 -113.20515 7.91723 2.82798 -114.00161 1093.94577
FREEZING PROCESS: loop number 5 T-loop= 1171.0000000000000
main_MD> interactions number 5 at Temperature= 1171.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60738 3.42961 -1.56532
force_rgl> df(natom) -0.24849 0.97832 2.96544
1005.0000 -118.25504 -110.92276 7.33228 2.97952 -111.89039 1234.21794
1010.0000 -117.07347 -109.30559 7.76788 3.14470 -109.58916 1301.05919
1015.0000 -119.91435 -111.23960 8.67474 3.12414 -109.87566 1310.23358
1020.0000 -118.04158 -109.98950 8.05208 3.01832 -111.34984 1230.38603
1025.0000 -121.27398 -114.77398 6.50000 2.92790 -112.60954 1175.61547
1030.0000 -121.40172 -113.83311 7.56861 2.79713 -114.43141 1087.55091
1035.0000 -121.52350 -114.09642 7.42709 2.89736 -113.03501 1133.27162
1040.0000 -122.83839 -114.24044 8.59795 2.80862 -114.27129 1098.20468
1045.0000 -118.89895 -112.22660 6.67235 2.83080 -113.96237 1031.24437
1050.0000 -121.00428 -113.52421 7.48007 2.88975 -113.14105 1140.05484
1055.0000 -118.88384 -112.68151 6.20232 2.88600 -113.19334 1140.71531
1060.0000 -121.32414 -114.10876 7.21538 2.92493 -112.65090 1184.91015
1065.0000 -119.80009 -113.18115 6.61894 2.81650 -114.16156 1112.57610
1070.0000 -121.46945 -112.76590 8.70355 2.87831 -113.30036 1140.24291
1075.0000 -120.78730 -113.04365 7.74365 2.92204 -112.69126 1166.41829
1080.0000 -120.48706 -112.27279 8.21427 2.90926 -112.86920 1188.44351
1085.0000 -117.93640 -110.37444 7.56196 2.98866 -111.76301 1234.01237
1090.0000 -119.78030 -110.55496 9.22534 3.06535 -110.69466 1273.40560
1095.0000 -121.52932 -114.97982 6.54950 2.89146 -113.11725 1160.51528
1100.0000 -120.91055 -112.83184 8.07870 2.79786 -114.42125 1085.14231
1105.0000 -121.38686 -113.61503 7.77183 2.84361 -113.78386 1127.22447
1110.0000 -118.29464 -111.63400 6.66064 2.90685 -112.90280 1169.89565
1115.0000 -119.04599 -110.48576 8.56022 3.00848 -111.48688 1258.07866
1120.0000 -119.55171 -110.32323 9.22848 3.06065 -110.76013 1265.24446
1125.0000 -120.64075 -111.25717 9.38358 3.11445 -110.01066 1336.35698
1130.0000 -119.29336 -111.43934 7.85402 2.91933 -112.72897 1192.70215
1135.0000 -120.18451 -112.81137 7.37315 3.05499 -110.83902 1287.22175
1140.0000 -120.26511 -112.22876 8.03634 2.94000 -112.44095 1193.39365
1145.0000 -121.05105 -113.45098 7.60007 2.87493 -113.34746 1144.02979
1150.0000 -120.27070 -111.93752 8.33318 2.99206 -111.71571 1248.99301
1155.0000 -118.49163 -110.92075 7.57088 3.00602 -111.52124 1216.48733
1160.0000 -120.21971 -111.27556 8.94415 3.02245 -111.29229 1221.27441
1165.0000 -119.71407 -113.19154 6.52253 2.95538 -112.22677 1190.08700
1170.0000 -121.23912 -113.14671 8.09241 2.93991 -112.44218 1164.65823
1175.0000 -118.61556 -110.79882 7.81674 2.94547 -112.36474 1183.06070
1180.0000 -119.15111 -109.89989 9.25122 3.05209 -110.87936 1294.78622
1185.0000 -122.14743 -113.87800 8.26943 3.03057 -111.17912 1230.09099
1190.0000 -119.34874 -112.23212 7.11662 2.90285 -112.95857 1120.03285
1195.0000 -121.14602 -111.71497 9.43104 2.94345 -112.39294 1201.00435
1200.0000 -121.73443 -113.52894 8.20549 2.87805 -113.30409 1174.40191
1205.0000 -121.07014 -113.10091 7.96923 2.91735 -112.75659 1212.43661
1210.0000 -121.05707 -111.49663 9.56045 2.89328 -113.09181 1151.53329
1215.0000 -120.13977 -111.53372 8.60605 3.00361 -111.55473 1250.16866
1220.0000 -119.39606 -110.48256 8.91350 3.00203 -111.57682 1244.91849
1225.0000 -118.98030 -110.51019 8.47011 3.07190 -110.60337 1212.10524
1230.0000 -119.11776 -110.73388 8.38388 3.10436 -110.15111 1325.90484
1235.0000 -121.88819 -112.19688 9.69131 2.96952 -112.02978 1216.04621
1240.0000 -120.58772 -113.04500 7.54273 3.00547 -111.52887 1280.02464
1245.0000 -120.53373 -113.38811 7.14563 2.88539 -113.20175 1129.69542
1250.0000 -123.24491 -116.03415 7.21076 2.75539 -115.01297 1045.78272
FREEZING PROCESS: loop number 6 T-loop= 1146.0000000000000
main_MD> interactions number 6 at Temperature= 1146.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.95815 -3.63461 -4.96856
force_rgl> df(natom) -5.79327 3.12673 -4.14380
1255.0000 -122.35130 -114.63860 7.71270 2.73448 -115.30414 1050.01511
1260.0000 -120.46660 -113.60225 6.86434 2.82384 -114.05932 1138.72150
1265.0000 -119.57965 -110.35704 9.22261 2.98485 -111.81621 1239.29385
1270.0000 -121.51457 -113.88623 7.62834 2.96564 -112.08379 1203.14057
1275.0000 -121.81535 -113.75033 8.06502 2.86233 -113.52307 1130.82861
1280.0000 -121.50642 -114.05198 7.45445 2.87880 -113.29364 1135.50653
1285.0000 -120.35072 -113.92230 6.42841 2.81748 -114.14795 1087.53512
1290.0000 -120.26398 -112.51819 7.74579 2.84250 -113.79937 1096.97020
1295.0000 -118.74136 -110.30343 8.43792 2.99585 -111.66284 1240.94976
1300.0000 -118.94497 -109.45085 9.49412 3.07736 -110.52729 1289.47807
1305.0000 -119.01247 -111.32540 7.68707 3.08754 -110.38546 1273.03041
1310.0000 -119.18321 -113.12322 6.05999 2.90691 -112.90197 1155.99677
1315.0000 -121.40179 -114.24121 7.16058 2.81913 -114.12489 1077.58985
1320.0000 -120.73630 -112.83272 7.90358 2.91139 -112.83955 1201.20998
1325.0000 -123.05081 -115.65595 7.39486 2.80586 -114.30973 1111.03269
1330.0000 -120.98036 -111.80354 9.17682 2.87086 -113.40416 1157.58191
1335.0000 -118.56671 -109.37065 9.19606 3.02238 -111.29325 1272.03823
1340.0000 -118.41869 -109.89935 8.51935 3.12183 -109.90780 1319.25361
1345.0000 -119.92423 -111.63740 8.28683 3.10157 -110.19010 1297.37057
1350.0000 -122.26432 -115.72678 6.53755 2.84301 -113.79221 1134.56362
1355.0000 -121.34695 -113.61486 7.73209 2.82060 -114.10446 1099.77069
1360.0000 -121.41657 -112.14703 9.26954 2.93894 -112.45582 1190.45520
1365.0000 -119.73237 -112.25981 7.47255 2.97137 -112.00397 1238.55834
1370.0000 -121.11199 -111.51966 9.59233 3.01473 -111.39988 1259.89819
1375.0000 -118.77637 -111.11970 7.65667 3.03987 -111.04967 1229.13944
1380.0000 -119.82746 -112.85199 6.97547 2.98119 -111.86707 1248.22683
1385.0000 -120.75322 -113.24430 7.50892 2.94724 -112.34008 1167.20829
1390.0000 -123.01565 -114.58971 8.42594 2.87817 -113.30236 1171.60688
1395.0000 -121.39823 -113.73561 7.66262 2.76718 -114.84866 1073.26217
1400.0000 -123.94824 -115.69102 8.25722 2.81841 -114.13497 1139.88338
1405.0000 -120.24124 -112.75689 7.48435 2.81283 -114.21262 1129.62774
1410.0000 -119.73931 -111.45114 8.28817 2.99623 -111.65759 1253.06165
1415.0000 -121.47296 -113.58793 7.88504 2.92561 -112.64148 1206.33402
1420.0000 -120.94225 -113.05781 7.88444 2.83787 -113.86384 1077.50642
1425.0000 -120.12450 -113.51187 6.61263 2.82004 -114.11224 1088.98027
1430.0000 -122.05404 -113.48341 8.57064 2.83084 -113.96175 1125.69990
1435.0000 -122.36193 -114.77585 7.58607 2.89176 -113.11310 1161.07137
1440.0000 -121.58612 -113.93423 7.65189 2.81604 -114.16799 1109.75918
1445.0000 -120.63408 -113.95428 6.67981 2.89821 -113.02324 1147.79551
1450.0000 -121.66616 -112.37206 9.29409 2.90343 -112.95048 1167.26193
1455.0000 -120.12085 -112.66541 7.45544 2.95634 -112.21340 1223.70067
1460.0000 -120.04767 -112.58572 7.46195 2.88305 -113.23433 1170.09510
1465.0000 -121.75755 -112.12359 9.63395 2.88283 -113.23751 1133.21482
1470.0000 -120.31969 -111.52360 8.79609 2.99458 -111.68062 1260.93639
1475.0000 -119.11778 -110.83645 8.28132 3.07697 -110.53273 1247.81826
1480.0000 -120.22449 -111.88331 8.34118 2.94423 -112.38208 1178.69626
1485.0000 -119.59224 -111.34422 8.24802 2.97793 -111.91253 1232.69181
1490.0000 -119.68964 -112.70543 6.98421 2.91514 -112.78733 1168.30115
1495.0000 -120.71947 -112.91119 7.80828 2.93358 -112.53048 1170.45819
1500.0000 -120.80540 -113.22787 7.57754 2.85432 -113.63470 1090.30220
FREEZING PROCESS: loop number 7 T-loop= 1121.0000000000000
main_MD> interactions number 7 at Temperature= 1121.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18869 2.34608 -3.46808
force_rgl> df(natom) -0.25154 1.12878 -0.38143
1505.0000 -121.05779 -113.24004 7.81775 2.87481 -113.34921 1122.19053
1510.0000 -122.15736 -114.10310 8.05426 2.82028 -114.10884 1113.48699
1515.0000 -121.56914 -112.96806 8.60107 2.87856 -113.29688 1171.61618
1520.0000 -118.88884 -111.46081 7.42803 2.96004 -112.16180 1208.21374
1525.0000 -123.09368 -114.70347 8.39021 2.86062 -113.54694 1130.57720
1530.0000 -119.78393 -113.49444 6.28949 2.87138 -113.39696 1197.33665
1535.0000 -119.22926 -111.12024 8.10903 2.90105 -112.98360 1139.84599
1540.0000 -121.44318 -114.18982 7.25336 2.96527 -112.08890 1230.33188
1545.0000 -122.73147 -115.11504 7.61644 2.79403 -114.47460 1091.21300
1550.0000 -122.09586 -113.36203 8.73383 2.80762 -114.28526 1104.40355
1555.0000 -121.36672 -114.89836 6.46836 2.79979 -114.39439 1071.88675
1560.0000 -121.19935 -113.17942 8.01993 2.86145 -113.53528 1143.39806
1565.0000 -122.66737 -115.24354 7.42382 2.78820 -114.55587 1078.42990
1570.0000 -121.31309 -115.24736 6.06573 2.77609 -114.72445 1072.95487
1575.0000 -120.30114 -113.32241 6.97872 2.73295 -115.32556 1037.71389
1580.0000 -120.90466 -112.24137 8.66329 2.88779 -113.16839 1127.40839
1585.0000 -119.66626 -112.68823 6.97804 2.94660 -112.34909 1222.09292
1590.0000 -119.87040 -111.68669 8.18371 3.01382 -111.41251 1247.02783
1595.0000 -120.48532 -112.49941 7.98591 3.06500 -110.69956 1281.47177
1600.0000 -121.64551 -114.48522 7.16029 2.89108 -113.12246 1114.17227
1605.0000 -122.40969 -114.13938 8.27031 2.78924 -114.54126 1089.33128
1610.0000 -120.81919 -113.80630 7.01290 2.87332 -113.36989 1124.30558
1615.0000 -121.21861 -112.34929 8.86931 2.89377 -113.08509 1156.86814
1620.0000 -120.75809 -113.17232 7.58577 2.89211 -113.10810 1149.10361
1625.0000 -117.63751 -110.38876 7.24874 2.99082 -111.73291 1211.32663
1630.0000 -120.06113 -111.25555 8.80558 2.99377 -111.69191 1258.17639
1635.0000 -121.01004 -113.16615 7.84389 2.93155 -112.55870 1167.45263
1640.0000 -121.11573 -112.83927 8.27646 2.94877 -112.31877 1207.54752
1645.0000 -122.09181 -112.80383 9.28798 2.91243 -112.82505 1202.49744
1650.0000 -121.48152 -113.87420 7.60732 2.90199 -112.97059 1145.15164
1655.0000 -121.34767 -113.96275 7.38493 2.84999 -113.69490 1142.37185
1660.0000 -120.80936 -113.23295 7.57641 2.83817 -113.85968 1157.37325
1665.0000 -121.67112 -115.35709 6.31403 2.81598 -114.16879 1101.29882
1670.0000 -122.82810 -115.56793 7.26017 2.73843 -115.24914 1055.14848
1675.0000 -121.52660 -114.36058 7.16602 2.74161 -115.20485 1043.86439
1680.0000 -119.25442 -112.71457 6.53985 2.85755 -113.58959 1135.07516
1685.0000 -120.20503 -111.60418 8.60085 2.96490 -112.09405 1260.27800
1690.0000 -120.54944 -113.75966 6.78977 2.90802 -112.88658 1182.32689
1695.0000 -122.46608 -115.12556 7.34051 2.83577 -113.89302 1133.88277
1700.0000 -122.10752 -114.88980 7.21772 2.74086 -115.21538 1090.47066
1705.0000 -122.42251 -114.69225 7.73026 2.77435 -114.74873 1105.68858
1710.0000 -120.85677 -114.00273 6.85404 2.74104 -115.21283 1044.85333
1715.0000 -122.95316 -113.95854 8.99462 2.80324 -114.34627 1091.54093
1720.0000 -124.02650 -115.30092 8.72558 2.74747 -115.12318 1039.29181
1725.0000 -121.73566 -114.22736 7.50829 2.72198 -115.47835 1005.74804
1730.0000 -120.40278 -114.41053 5.99225 2.80676 -114.29719 1082.36345
1735.0000 -121.74794 -113.72422 8.02372 2.79703 -114.43278 1095.43784
1740.0000 -122.58581 -114.60312 7.98269 2.83555 -113.89612 1101.51444
1745.0000 -121.41670 -114.33458 7.08211 2.81514 -114.18054 1112.40137
1750.0000 -122.02216 -115.21800 6.80416 2.74205 -115.19876 1065.42273
FREEZING PROCESS: loop number 8 T-loop= 1096.0000000000000
main_MD> interactions number 8 at Temperature= 1096.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.42507 3.90185 0.27340
force_rgl> df(natom) 0.17279 0.78511 -5.93520
1755.0000 -122.04637 -114.85193 7.19445 2.72537 -115.43110 1028.98739
1760.0000 -122.87605 -115.15250 7.72355 2.78564 -114.59143 1072.41280
1765.0000 -122.12292 -115.19529 6.92764 2.74187 -115.20123 1039.26891
1770.0000 -121.57899 -113.64810 7.93089 2.80512 -114.32001 1101.63848
1775.0000 -119.59577 -112.19505 7.40072 2.87144 -113.39617 1162.96943
1780.0000 -121.51228 -112.72215 8.79013 2.99155 -111.72277 1242.05909
1785.0000 -123.26544 -113.81723 9.44821 2.86150 -113.53459 1154.06049
1790.0000 -121.49694 -114.61630 6.88065 2.89233 -113.10511 1132.27359
1795.0000 -121.99715 -114.42214 7.57501 2.77471 -114.74374 1061.51605
1800.0000 -121.04380 -113.92041 7.12339 2.85374 -113.64272 1150.85261
1805.0000 -122.21244 -115.15108 7.06136 2.77096 -114.79603 1051.42747
1810.0000 -122.34828 -114.99157 7.35671 2.67172 -116.17855 1000.14706
1815.0000 -121.95412 -114.42340 7.53072 2.74697 -115.13027 1068.10408
1820.0000 -122.03923 -115.85156 6.18766 2.69365 -115.87298 1006.44421
1825.0000 -122.32054 -114.85148 7.46906 2.73945 -115.23502 1065.67550
1830.0000 -121.61161 -115.73748 5.87413 2.75584 -115.00670 1044.29891
1835.0000 -122.52271 -116.04756 6.47515 2.67390 -116.14813 1010.83444
1840.0000 -122.31151 -115.12980 7.18171 2.68037 -116.05811 1029.11155
1845.0000 -122.86520 -115.11715 7.74805 2.75822 -114.97352 1050.31224
1850.0000 -123.64772 -117.14627 6.50145 2.61729 -116.93693 988.79201
1855.0000 -123.32735 -117.69677 5.63058 2.64571 -116.54093 981.27696
1860.0000 -123.58213 -117.57677 6.00536 2.58739 -117.35341 942.20848
1865.0000 -123.02603 -116.11355 6.91248 2.69830 -115.80823 1030.72596
1870.0000 -122.33577 -114.96697 7.36880 2.67473 -116.13668 989.19819
1875.0000 -121.33976 -113.16691 8.17284 2.79092 -114.51795 1079.04597
1880.0000 -121.80018 -114.51410 7.28608 2.88092 -113.26405 1158.99445
1885.0000 -121.80222 -113.80522 7.99700 2.78724 -114.56911 1083.77908
1890.0000 -121.69230 -113.32062 8.37168 2.77692 -114.71302 1093.01802
1895.0000 -120.26318 -112.58304 7.68014 2.84522 -113.76139 1154.61541
1900.0000 -120.72923 -114.44659 6.28265 2.87952 -113.28357 1143.16410
1905.0000 -122.67150 -115.91267 6.75883 2.74772 -115.11972 1044.45129
1910.0000 -122.26942 -115.55530 6.71412 2.72004 -115.50540 1033.64902
1915.0000 -120.97735 -114.61511 6.36224 2.74933 -115.09738 1040.69092
1920.0000 -121.50315 -115.35736 6.14579 2.77610 -114.72439 1099.65689
1925.0000 -121.94595 -114.22798 7.71796 2.77568 -114.73029 1062.08440
1930.0000 -121.02586 -113.08538 7.94048 2.81810 -114.13921 1059.93616
1935.0000 -120.16269 -111.32575 8.83693 2.96894 -112.03780 1198.96996
1940.0000 -120.03143 -112.04550 7.98593 3.02359 -111.27640 1289.00400
1945.0000 -121.33839 -114.08580 7.25259 2.89631 -113.04968 1158.96350
1950.0000 -122.43183 -115.71985 6.71199 2.69000 -115.92385 978.50246
1955.0000 -121.79726 -114.88976 6.90751 2.73226 -115.33511 1034.35998
1960.0000 -120.81476 -113.99982 6.81494 2.84854 -113.71512 1120.63115
1965.0000 -124.33923 -117.65970 6.67954 2.65671 -116.38764 1024.72550
1970.0000 -123.94106 -117.01523 6.92583 2.52809 -118.17952 920.72965
1975.0000 -122.81824 -115.56484 7.25339 2.68662 -115.97101 1015.04132
1980.0000 -121.50111 -113.51208 7.98903 2.77047 -114.80285 1097.15236
1985.0000 -121.33397 -114.26809 7.06588 2.80371 -114.33976 1076.01612
1990.0000 -121.55208 -113.93146 7.62062 2.83375 -113.92117 1098.99305
1995.0000 -119.14643 -110.86711 8.27932 2.93403 -112.52414 1210.16397
2000.0000 -120.88915 -114.31876 6.57038 2.97123 -112.00589 1259.05177
FREEZING PROCESS: loop number 9 T-loop= 1071.0000000000000
main_MD> interactions number 9 at Temperature= 1071.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.27761 -1.48479 -0.71393
force_rgl> df(natom) 0.00835 2.59639 1.93481
2005.0000 -122.92493 -116.05901 6.86592 2.76824 -114.83382 1043.63107
2010.0000 -120.61052 -113.34808 7.26244 2.78281 -114.63088 1089.59904
2015.0000 -121.65064 -114.76392 6.88672 2.82958 -113.97925 1107.91434
2020.0000 -123.01842 -116.59095 6.42748 2.68640 -115.97406 980.23383
2025.0000 -120.72285 -114.15792 6.56492 2.67770 -116.09528 993.65665
2030.0000 -122.52362 -113.13293 9.39069 2.87562 -113.33797 1128.07612
2035.0000 -123.17081 -115.39841 7.77240 2.85918 -113.56690 1174.29080
2040.0000 -122.29636 -115.96695 6.32941 2.71523 -115.57236 1026.27955
2045.0000 -123.58060 -117.23056 6.35004 2.60653 -117.08677 965.93683
2050.0000 -123.10879 -116.60612 6.50267 2.60605 -117.09342 959.60991
2055.0000 -122.75466 -115.54793 7.20672 2.71784 -115.53605 1058.17667
2060.0000 -122.11377 -114.34317 7.77061 2.79873 -114.40911 1092.34161
2065.0000 -120.82856 -113.40147 7.42710 2.86428 -113.49586 1108.32963
2070.0000 -122.38236 -114.35414 8.02823 2.84157 -113.81229 1093.49228
2075.0000 -121.63663 -114.39389 7.24274 2.85185 -113.66903 1125.57216
2080.0000 -121.39669 -114.56548 6.83121 2.81364 -114.20132 1108.65960
2085.0000 -123.55034 -115.86999 7.68035 2.73991 -115.22857 1034.90990
2090.0000 -122.73184 -114.88884 7.84299 2.73674 -115.27272 1048.61429
2095.0000 -121.90723 -113.92954 7.97769 2.81736 -114.14958 1134.96938
2100.0000 -123.82475 -116.47688 7.34787 2.74733 -115.12526 1053.64182
2105.0000 -121.58480 -115.13923 6.44557 2.74265 -115.19038 1071.40281
2110.0000 -123.58113 -116.07287 7.50826 2.77246 -114.77508 1084.94319
2115.0000 -120.54181 -115.18743 5.35438 2.71840 -115.52817 1037.19565
2120.0000 -122.08828 -114.90989 7.17839 2.76044 -114.94254 1041.29205
2125.0000 -121.63721 -113.77038 7.86682 2.80848 -114.27325 1123.38508
2130.0000 -119.46859 -112.06346 7.40513 2.92665 -112.62700 1211.20948
2135.0000 -121.08470 -110.82318 10.26152 3.03024 -111.18382 1266.72412
2140.0000 -119.51802 -112.74866 6.76936 2.98539 -111.80858 1210.27313
2145.0000 -121.86105 -115.03980 6.82125 2.86899 -113.43021 1110.84630
2150.0000 -120.43417 -113.87794 6.55623 2.76156 -114.92693 1029.00127
2155.0000 -121.43259 -115.52641 5.90618 2.81075 -114.24169 1101.69390
2160.0000 -123.15764 -114.68699 8.47065 2.73977 -115.23047 1035.14090
2165.0000 -121.85474 -114.63979 7.21495 2.74867 -115.10651 1060.14662
2170.0000 -122.03662 -114.40556 7.63105 2.80473 -114.32546 1123.64484
2175.0000 -123.10851 -115.53748 7.57103 2.78308 -114.62716 1085.67031
2180.0000 -120.52996 -112.62829 7.90166 2.77426 -114.75008 1085.15336
2185.0000 -119.66147 -112.51486 7.14660 3.00215 -111.57516 1275.69189
2190.0000 -122.73169 -115.83904 6.89264 2.81117 -114.23581 1091.78221
2195.0000 -122.09511 -115.32113 6.77399 2.67216 -116.17247 1000.96436
2200.0000 -123.32527 -117.85163 5.47365 2.60710 -117.07881 960.82203
2205.0000 -123.88857 -117.26602 6.62255 2.59429 -117.25725 953.05998
2210.0000 -122.78881 -116.15774 6.63107 2.66933 -116.21181 991.60807
2215.0000 -121.44883 -115.51757 5.93126 2.70872 -115.66313 1011.06297
2220.0000 -124.00256 -116.43692 7.56564 2.71675 -115.55121 1029.80746
2225.0000 -123.02718 -115.23616 7.79101 2.67752 -116.09775 998.33819
2230.0000 -123.54168 -117.18156 6.36012 2.69508 -115.85314 997.84986
2235.0000 -121.73897 -115.20760 6.53137 2.66192 -116.31506 938.76514
2240.0000 -120.63766 -113.58690 7.05076 2.83918 -113.84562 1094.87467
2245.0000 -122.33445 -115.46781 6.86664 2.84438 -113.77317 1133.68524
2250.0000 -121.70680 -115.24109 6.46571 2.76159 -114.92655 1050.44384
FREEZING PROCESS: loop number 10 T-loop= 1046.0000000000000
main_MD> interactions number 10 at Temperature= 1046.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10292 1.41167 0.40541
force_rgl> df(natom) 1.37595 -2.68910 -0.08278
2255.0000 -122.91277 -116.15695 6.75582 2.75920 -114.95978 1044.55171
2260.0000 -122.05664 -115.44936 6.60728 2.71510 -115.57425 1001.39810
2265.0000 -122.44425 -115.67084 6.77341 2.73942 -115.23532 1050.99386
2270.0000 -123.29288 -116.91897 6.37391 2.71529 -115.57158 1020.62322
2275.0000 -123.50818 -117.04693 6.46125 2.68667 -115.97035 1022.55753
2280.0000 -122.65544 -115.30227 7.35317 2.69391 -115.86936 1026.75417
2285.0000 -122.99380 -115.19861 7.79519 2.70280 -115.74561 1024.13443
2290.0000 -123.84800 -117.33529 6.51271 2.72985 -115.36865 1038.25708
2295.0000 -123.59121 -116.39012 7.20109 2.64322 -116.57563 978.52145
2300.0000 -121.72782 -115.49841 6.22940 2.65354 -116.43189 1001.41561
2305.0000 -121.90602 -115.56945 6.33657 2.70531 -115.71056 978.53556
2310.0000 -123.83282 -116.79268 7.04014 2.61223 -117.00741 903.92742
2315.0000 -122.59981 -115.09866 7.50115 2.72153 -115.48460 1044.44352
2320.0000 -123.33797 -116.38118 6.95679 2.70547 -115.70835 995.06427
2325.0000 -121.88318 -115.42508 6.45810 2.75486 -115.02028 1039.82958
2330.0000 -123.14495 -116.87687 6.26808 2.64024 -116.61720 953.68802
2335.0000 -122.09471 -115.55015 6.54456 2.64152 -116.59925 976.18988
2340.0000 -121.36674 -112.85943 8.50731 2.82914 -113.98549 1127.08645
2345.0000 -122.37378 -115.24881 7.12497 2.76192 -114.92196 1069.23205
2350.0000 -120.05617 -113.31995 6.73622 2.79117 -114.51445 1091.31677
2355.0000 -121.19485 -114.53941 6.65544 2.83515 -113.90171 1095.03154
2360.0000 -121.02728 -114.87014 6.15714 2.76776 -114.84060 1087.22764
2365.0000 -123.07847 -114.25076 8.82771 2.80033 -114.38678 1074.53409
2370.0000 -123.13228 -116.07852 7.05376 2.71681 -115.55037 1058.44506
2375.0000 -121.19479 -113.20082 7.99397 2.79045 -114.52449 1124.06511
2380.0000 -121.34391 -114.96904 6.37487 2.79909 -114.40408 1091.31560
2385.0000 -121.26178 -114.80492 6.45685 2.74638 -115.13846 1049.96907
2390.0000 -120.86462 -113.10023 7.76440 2.85471 -113.62920 1094.04470
2395.0000 -120.86505 -113.07337 7.79169 2.87969 -113.28125 1162.17090
2400.0000 -122.60191 -114.62262 7.97928 2.80574 -114.31147 1100.21867
2405.0000 -121.93760 -115.01937 6.91822 2.76340 -114.90129 1051.86126
2410.0000 -121.72248 -114.38078 7.34170 2.70325 -115.73925 1026.35023
2415.0000 -122.07466 -115.32725 6.74741 2.78160 -114.64773 1072.56725
2420.0000 -121.61774 -114.77675 6.84099 2.74240 -115.19390 1034.90883
2425.0000 -122.76913 -114.79267 7.97646 2.72768 -115.39897 1019.84239
2430.0000 -120.97313 -114.59392 6.37922 2.75495 -115.01905 1077.87508
2435.0000 -122.20809 -114.83674 7.37135 2.79729 -114.42918 1081.00945
2440.0000 -121.71801 -115.37909 6.33892 2.80941 -114.26036 1088.86746
2445.0000 -121.14641 -113.94817 7.19824 2.82824 -113.99801 1104.83779
2450.0000 -122.47808 -114.68966 7.78842 2.80540 -114.31616 1104.60137
2455.0000 -121.48234 -115.52961 5.95273 2.74833 -115.11125 1048.94218
2460.0000 -123.67013 -115.31301 8.35712 2.73461 -115.30234 1067.64458
2465.0000 -122.75683 -116.08524 6.67160 2.70597 -115.70134 1024.47931
2470.0000 -123.48794 -115.43628 8.05166 2.70065 -115.77549 970.29733
2475.0000 -121.87175 -114.66910 7.20264 2.73586 -115.28500 1017.44599
2480.0000 -123.73505 -116.89717 6.83788 2.69510 -115.85287 1004.70867
2485.0000 -121.56377 -116.03842 5.52535 2.70055 -115.77690 1044.32351
2490.0000 -122.40532 -116.00937 6.39595 2.67644 -116.11284 997.46470
2495.0000 -122.20697 -114.91867 7.28829 2.78474 -114.60406 1100.47245
2500.0000 -121.65284 -115.21061 6.44223 2.74993 -115.08899 1047.35182
FREEZING PROCESS: loop number 11 T-loop= 1021.0000000000000
main_MD> interactions number 11 at Temperature= 1021.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55477 1.46059 1.28425
force_rgl> df(natom) -1.79333 -2.00496 2.25815
2505.0000 -122.50136 -115.59129 6.91008 2.67870 -116.08125 984.62638
2510.0000 -121.34194 -114.86569 6.47625 2.71390 -115.59090 1006.91629
2515.0000 -123.35363 -116.12781 7.22582 2.73174 -115.34241 1047.59470
2520.0000 -122.05559 -115.15289 6.90270 2.73335 -115.31990 1019.11009
2525.0000 -122.30998 -114.91774 7.39224 2.74227 -115.19568 1054.54544
2530.0000 -121.70541 -115.21470 6.49071 2.77444 -114.74750 1053.39342
2535.0000 -123.97365 -117.04650 6.92715 2.67869 -116.08146 1015.13390
2540.0000 -123.65529 -117.93924 5.71605 2.58803 -117.34446 934.29286
2545.0000 -123.05559 -115.46377 7.59182 2.63121 -116.74287 981.17245
2550.0000 -124.06610 -118.02201 6.04409 2.65778 -116.37279 1017.57147
2555.0000 -121.10615 -114.55128 6.55487 2.67124 -116.18527 1027.94859
2560.0000 -122.45989 -116.17146 6.28843 2.75135 -115.06917 1069.82763
2565.0000 -123.86879 -116.68145 7.18733 2.68094 -116.05011 1039.64282
2570.0000 -124.04260 -117.90178 6.14082 2.61341 -116.99096 976.95952
2575.0000 -123.05337 -115.97811 7.07526 2.67204 -116.17412 991.43564
2580.0000 -122.21132 -115.34567 6.86566 2.75237 -115.05503 1051.78669
2585.0000 -124.11921 -117.15987 6.95934 2.67428 -116.14284 988.49663
2590.0000 -122.15254 -115.09532 7.05721 2.63386 -116.70599 990.93726
2595.0000 -123.08276 -115.46839 7.61437 2.71889 -115.52147 1002.69606
2600.0000 -122.20372 -116.07226 6.13146 2.72168 -115.48248 1025.59313
2605.0000 -120.80639 -113.99226 6.81413 2.66823 -116.22721 1004.41416
2610.0000 -122.76700 -115.02035 7.74665 2.79769 -114.42353 1128.33476
2615.0000 -123.65102 -116.76323 6.88779 2.73913 -115.23947 1035.50713
2620.0000 -122.35859 -115.94688 6.41170 2.68274 -116.02498 1050.81619
2625.0000 -121.42974 -114.31898 7.11076 2.71366 -115.59422 1031.52716
2630.0000 -119.75629 -112.92042 6.83587 2.81898 -114.12694 1070.18568
2635.0000 -123.33177 -116.77446 6.55731 2.76545 -114.87270 1061.26082
2640.0000 -123.40918 -117.11257 6.29660 2.60899 -117.05252 974.14607
2645.0000 -122.38901 -116.48888 5.90013 2.67562 -116.12418 986.17841
2650.0000 -120.32179 -112.30470 8.01709 2.87245 -113.38212 1121.71936
2655.0000 -122.17334 -115.53383 6.63951 2.82397 -114.05741 1121.54893
2660.0000 -122.25897 -113.92813 8.33083 2.73613 -115.28124 1040.02873
2665.0000 -122.53413 -114.74700 7.78713 2.78391 -114.61551 1080.68542
2670.0000 -123.38463 -116.55130 6.83333 2.71976 -115.50924 1050.89134
2675.0000 -122.14188 -116.87212 5.26975 2.65963 -116.34699 994.28613
2680.0000 -121.18610 -114.88054 6.30555 2.63099 -116.74598 941.90413
2685.0000 -123.13101 -116.97984 6.15117 2.65389 -116.42693 987.57342
2690.0000 -122.20031 -114.93417 7.26615 2.66774 -116.23399 1011.59000
2695.0000 -121.85986 -115.28196 6.57789 2.76001 -114.94859 1022.18203
2700.0000 -124.03892 -116.44491 7.59402 2.67621 -116.11597 981.17233
2705.0000 -126.30768 -119.50114 6.80654 2.54508 -117.94282 934.62018
2710.0000 -124.67141 -118.27314 6.39827 2.48920 -118.72131 857.52425
2715.0000 -122.65725 -116.56620 6.09105 2.54638 -117.92471 936.56525
2720.0000 -123.96582 -117.46205 6.50377 2.61919 -116.91038 954.77642
2725.0000 -122.92900 -117.16788 5.76113 2.61993 -116.90001 981.14617
2730.0000 -123.60361 -117.21913 6.38448 2.66063 -116.33306 1021.65525
2735.0000 -123.52440 -118.35298 5.17142 2.59265 -117.28009 954.75006
2740.0000 -121.04085 -115.86302 5.17783 2.64080 -116.60938 971.84263
2745.0000 -124.26502 -117.62843 6.63658 2.65272 -116.44329 986.03771
2750.0000 -123.34620 -116.21388 7.13231 2.57787 -117.48605 917.13758
FREEZING PROCESS: loop number 12 T-loop= 996.00000000000000
main_MD> interactions number 12 at Temperature= 996.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.27343 -0.67511 1.42956
force_rgl> df(natom) -0.31343 -0.71938 3.35569
2755.0000 -122.51094 -114.64207 7.86886 2.64241 -116.58690 972.49418
2760.0000 -121.82575 -115.87434 5.95141 2.75477 -115.02161 1041.10066
2765.0000 -123.31069 -116.85088 6.45981 2.66698 -116.24465 1016.24935
2770.0000 -123.38930 -117.96315 5.42615 2.61330 -116.99248 972.51609
2775.0000 -122.11556 -116.60923 5.50633 2.56635 -117.64659 923.01259
2780.0000 -123.50239 -117.20459 6.29780 2.54143 -117.99366 919.82956
2785.0000 -123.30647 -116.66705 6.63942 2.62497 -116.82980 933.89308
2790.0000 -123.12698 -116.42798 6.69901 2.71482 -115.57806 1036.19382
2795.0000 -121.52586 -114.25338 7.27247 2.74115 -115.21123 1017.00357
2800.0000 -121.39352 -114.49907 6.89446 2.77641 -114.72010 1056.86279
2805.0000 -121.39278 -114.12288 7.26989 2.74372 -115.17547 1038.15690
2810.0000 -122.45752 -114.06873 8.38879 2.82168 -114.08937 1111.15976
2815.0000 -123.50054 -114.81033 8.69021 2.79451 -114.46792 1093.23526
2820.0000 -122.46538 -115.10642 7.35896 2.73877 -115.24451 1073.21894
2825.0000 -123.26440 -116.55558 6.70883 2.68033 -116.05866 1005.02016
2830.0000 -120.86936 -113.45909 7.41027 2.71309 -115.60214 1058.22429
2835.0000 -121.78587 -114.74712 7.03875 2.80870 -114.27018 1117.21682
2840.0000 -121.45253 -115.76038 5.69215 2.71233 -115.61277 1045.17826
2845.0000 -123.57871 -117.46448 6.11423 2.59617 -117.23105 934.47006
2850.0000 -124.06790 -117.66310 6.40481 2.59976 -117.18113 971.05401
2855.0000 -124.81520 -118.27684 6.53836 2.51388 -118.37757 904.24900
2860.0000 -125.45267 -118.27483 7.17784 2.49834 -118.59396 884.86170
2865.0000 -123.68398 -118.04477 5.63920 2.53391 -118.09854 883.72775
2870.0000 -124.49348 -115.97762 8.51586 2.59149 -117.29624 931.96977
2875.0000 -121.43815 -116.60864 4.82951 2.68841 -115.94607 1020.89830
2880.0000 -122.50558 -115.52180 6.98379 2.67234 -116.16996 993.21083
2885.0000 -121.75754 -115.17272 6.58482 2.67597 -116.11932 1010.14585
2890.0000 -122.50471 -115.04558 7.45912 2.75241 -115.05443 1050.49001
2895.0000 -121.01180 -113.89469 7.11711 2.79183 -114.50525 1065.96999
2900.0000 -123.00153 -114.86681 8.13471 2.78844 -114.55247 1091.74728
2905.0000 -122.04761 -115.86335 6.18426 2.73459 -115.30261 1035.71320
2910.0000 -122.61660 -116.61169 6.00491 2.69010 -115.92251 1001.11297
2915.0000 -123.97420 -117.16678 6.80742 2.62368 -116.84787 966.19225
2920.0000 -123.41483 -118.05918 5.35565 2.57880 -117.47313 911.89854
2925.0000 -125.42198 -119.14474 6.27725 2.52340 -118.24489 898.44162
2930.0000 -124.29975 -118.86661 5.43315 2.50926 -118.44192 870.18518
2935.0000 -123.19780 -116.56594 6.63186 2.50355 -118.52142 860.16360
2940.0000 -123.99605 -116.85950 7.13655 2.64402 -116.56442 986.03514
2945.0000 -121.38377 -115.20348 6.18029 2.71684 -115.55000 1044.21932
2950.0000 -124.78551 -118.60412 6.18139 2.61402 -116.98245 948.54667
2955.0000 -122.21368 -114.65021 7.56347 2.63238 -116.72667 956.96543
2960.0000 -121.38954 -114.51646 6.87308 2.76900 -114.82329 1093.19184
2965.0000 -122.31813 -115.42383 6.89429 2.73548 -115.29031 1028.04356
2970.0000 -123.61011 -117.70497 5.90513 2.60684 -117.08245 934.39401
2975.0000 -122.17593 -115.74050 6.43544 2.63451 -116.69699 938.06897
2980.0000 -122.61446 -115.75982 6.85464 2.72286 -115.46616 1055.65349
2985.0000 -123.59109 -115.81915 7.77195 2.72202 -115.47774 1016.86392
2990.0000 -122.21889 -115.73381 6.48508 2.67613 -116.11706 979.22620
2995.0000 -120.79789 -114.53395 6.26394 2.72730 -115.40418 1055.86132
3000.0000 -121.48062 -113.13563 8.34499 2.83878 -113.85116 1124.20220
FREEZING PROCESS: loop number 13 T-loop= 971.00000000000000
main_MD> interactions number 13 at Temperature= 971.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.47057 -1.88990 0.93785
force_rgl> df(natom) 0.92627 -1.06028 -2.33350
3005.0000 -124.32468 -118.14941 6.17527 2.69681 -115.82898 1056.94674
3010.0000 -124.59593 -119.20831 5.38763 2.46249 -119.09345 862.40907
3015.0000 -124.07590 -118.81019 5.26571 2.50943 -118.43950 879.57913
3020.0000 -124.64819 -118.14671 6.50148 2.56489 -117.66682 904.85293
3025.0000 -122.63198 -117.16098 5.47100 2.54961 -117.87976 883.67618
3030.0000 -124.07361 -118.05550 6.01811 2.56236 -117.70219 902.51634
3035.0000 -123.11458 -117.00248 6.11210 2.58159 -117.43423 922.11094
3040.0000 -123.33311 -116.50465 6.82846 2.69016 -115.92170 1031.03852
3045.0000 -123.73751 -117.97808 5.75942 2.61731 -116.93659 920.77396
3050.0000 -124.86515 -117.84113 7.02403 2.53137 -118.13386 873.46162
3055.0000 -123.35462 -117.77854 5.57608 2.55206 -117.84558 940.47990
3060.0000 -124.15188 -116.97217 7.17971 2.53567 -118.07398 917.54907
3065.0000 -122.81827 -116.94886 5.86941 2.63820 -116.64552 979.83364
3070.0000 -122.13113 -116.13010 6.00103 2.59901 -117.19150 925.53518
3075.0000 -123.24798 -116.36679 6.88119 2.69642 -115.83443 1006.37940
3080.0000 -124.19076 -117.22641 6.96435 2.68029 -116.05923 1028.90781
3085.0000 -124.44608 -119.30350 5.14258 2.55622 -117.78768 909.04822
3090.0000 -124.01301 -117.91623 6.09678 2.52927 -118.16310 880.65486
3095.0000 -122.67982 -116.34552 6.33430 2.61758 -116.93280 928.52346
3100.0000 -123.04599 -116.47322 6.57277 2.68231 -116.03096 976.74520
3105.0000 -124.83849 -118.24753 6.59096 2.56739 -117.63199 905.46363
3110.0000 -123.50456 -115.81254 7.69202 2.65794 -116.37057 1001.29532
3115.0000 -124.88679 -117.50854 7.37824 2.62829 -116.78358 989.42711
3120.0000 -122.14668 -115.34040 6.80628 2.62286 -116.85920 947.27925
3125.0000 -122.87610 -116.08674 6.78937 2.72981 -115.36922 1030.77479
3130.0000 -123.98334 -117.69701 6.28633 2.62379 -116.84630 944.67201
3135.0000 -123.74360 -118.77936 4.96424 2.50824 -118.45609 864.18511
3140.0000 -122.84539 -115.73949 7.10590 2.57831 -117.47994 938.76230
3145.0000 -124.22238 -118.08551 6.13686 2.60808 -117.06517 952.77849
3150.0000 -123.59841 -116.95114 6.64727 2.55803 -117.76242 900.10877
3155.0000 -124.16020 -118.23670 5.92351 2.61295 -116.99732 968.95285
3160.0000 -123.18332 -117.06693 6.11639 2.61603 -116.95434 919.90437
3165.0000 -121.10361 -115.08453 6.01908 2.66528 -116.26835 973.22750
3170.0000 -123.05426 -115.88957 7.16469 2.71023 -115.64211 1021.31320
3175.0000 -122.78414 -115.36152 7.42262 2.68943 -115.93181 998.98759
3180.0000 -121.68853 -115.88097 5.80756 2.71945 -115.51366 998.35512
3185.0000 -123.36276 -116.18559 7.17717 2.70192 -115.75784 988.78916
3190.0000 -123.66666 -117.08799 6.57867 2.61910 -116.91162 969.78667
3195.0000 -121.69854 -114.41254 7.28599 2.69921 -115.79562 1012.83108
3200.0000 -123.60323 -116.07819 7.52504 2.72804 -115.39394 1054.59641
3205.0000 -123.65240 -117.07089 6.58150 2.65015 -116.47903 989.69199
3210.0000 -122.92342 -116.58718 6.33625 2.63393 -116.70497 946.67126
3215.0000 -124.44825 -118.43248 6.01577 2.63117 -116.74354 994.30909
3220.0000 -124.22283 -117.81885 6.40398 2.50911 -118.44403 866.77773
3225.0000 -124.59503 -117.82879 6.76624 2.61130 -117.02024 944.17472
3230.0000 -122.89258 -116.29913 6.59346 2.66811 -116.22890 978.44206
3235.0000 -123.43240 -117.15910 6.27329 2.64973 -116.48493 1001.51650
3240.0000 -124.06793 -117.62490 6.44303 2.54952 -117.88104 908.67562
3245.0000 -124.19761 -117.27017 6.92744 2.56848 -117.61681 935.24784
3250.0000 -121.50593 -114.42854 7.07739 2.67023 -116.19927 1020.44142
FREEZING PROCESS: loop number 14 T-loop= 946.00000000000000
main_MD> interactions number 14 at Temperature= 946.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01463 -2.61521 1.71591
force_rgl> df(natom) -1.92173 -0.87682 2.20736
3255.0000 -123.55397 -117.77554 5.77843 2.71637 -115.55653 1047.44108
3260.0000 -123.48700 -117.02685 6.46015 2.58257 -117.42059 916.91449
3265.0000 -124.89840 -117.57681 7.32158 2.55883 -117.75126 909.86124
3270.0000 -123.97740 -116.66016 7.31724 2.59946 -117.18527 950.13585
3275.0000 -123.91740 -118.03631 5.88109 2.57693 -117.49919 931.88183
3280.0000 -124.04823 -118.07809 5.97015 2.53021 -118.15008 885.27392
3285.0000 -123.78346 -118.04475 5.73870 2.55287 -117.83433 926.93770
3290.0000 -123.74927 -116.23031 7.51896 2.60537 -117.10295 951.07834
3295.0000 -122.92142 -116.65278 6.26864 2.72064 -115.49699 1031.34972
3300.0000 -124.91511 -117.69515 7.21995 2.57895 -117.47104 967.85118
3305.0000 -122.76995 -118.30225 4.46770 2.54306 -117.97107 886.25014
3310.0000 -125.70792 -119.21086 6.49707 2.50116 -118.55468 899.82662
3315.0000 -126.13063 -120.36813 5.76250 2.42217 -119.65526 834.60529
3320.0000 -124.38653 -118.05653 6.33001 2.43977 -119.40994 813.42842
3325.0000 -123.19664 -116.51828 6.67836 2.58081 -117.44513 946.39030
3330.0000 -123.27834 -115.77232 7.50602 2.68294 -116.02232 1022.93903
3335.0000 -122.21943 -116.43249 5.78694 2.68341 -116.01564 1009.27799
3340.0000 -122.82280 -116.31656 6.50624 2.62946 -116.76738 965.34805
3345.0000 -124.08125 -116.68538 7.39586 2.68528 -115.98970 1033.78731
3350.0000 -125.78820 -120.09563 5.69257 2.51659 -118.33978 891.74553
3355.0000 -124.31964 -118.25920 6.06044 2.42449 -119.62291 845.58931
3360.0000 -124.77479 -118.73539 6.03941 2.53532 -118.07885 932.14263
3365.0000 -124.79312 -118.42809 6.36504 2.52011 -118.29074 876.04434
3370.0000 -123.12338 -116.06623 7.05715 2.62840 -116.78206 984.90083
3375.0000 -121.94242 -115.87631 6.06611 2.70485 -115.71704 1050.34934
3380.0000 -122.56599 -115.00330 7.56269 2.73677 -115.27230 1038.86500
3385.0000 -124.70160 -117.88599 6.81560 2.63384 -116.70632 958.51833
3390.0000 -123.68887 -117.72461 5.96426 2.58977 -117.32027 943.87880
3395.0000 -125.93925 -118.89324 7.04602 2.50217 -118.54069 872.25265
3400.0000 -122.57921 -117.18527 5.39395 2.58950 -117.32406 955.02906
3405.0000 -125.34323 -119.12416 6.21907 2.55365 -117.82346 876.57344
3410.0000 -124.54223 -117.74170 6.80053 2.50619 -118.48465 859.28119
3415.0000 -124.24116 -118.98327 5.25789 2.50087 -118.55872 895.78874
3420.0000 -124.23202 -117.72898 6.50304 2.54529 -117.93988 904.58822
3425.0000 -124.16090 -117.51308 6.64782 2.57573 -117.51585 947.98821
3430.0000 -121.24307 -115.70379 5.53928 2.61865 -116.91789 940.11673
3435.0000 -124.72367 -117.67462 7.04905 2.59459 -117.25314 943.21873
3440.0000 -122.14661 -115.33635 6.81026 2.66735 -116.23940 977.15680
3445.0000 -121.97662 -113.38867 8.58796 2.80465 -114.32667 1071.75982
3450.0000 -121.04387 -115.26078 5.78309 2.73906 -115.24039 1017.55658
3455.0000 -121.92161 -115.73991 6.18170 2.76293 -114.90790 1070.37673
3460.0000 -122.40531 -116.80476 5.60054 2.68103 -116.04884 1021.40294
3465.0000 -124.97015 -118.07767 6.89249 2.53065 -118.14384 884.98209
3470.0000 -123.52039 -116.08595 7.43444 2.59499 -117.24760 936.28424
3475.0000 -124.09459 -117.48471 6.60988 2.59241 -117.28344 952.18089
3480.0000 -124.60284 -117.69252 6.91032 2.51215 -118.40164 876.85857
3485.0000 -122.89531 -115.99391 6.90140 2.60714 -117.07830 974.51532
3490.0000 -123.42907 -117.27094 6.15814 2.67985 -116.06534 989.13949
3495.0000 -125.14606 -117.97337 7.17269 2.60114 -117.16190 928.05405
3500.0000 -123.19013 -116.87100 6.31913 2.57124 -117.57848 909.30682
FREEZING PROCESS: loop number 15 T-loop= 921.00000000000000
main_MD> interactions number 15 at Temperature= 921.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44746 2.02290 3.16330
force_rgl> df(natom) -1.26463 -3.31632 -0.19247
3505.0000 -124.19840 -118.22942 5.96897 2.58407 -117.39965 940.82056
3510.0000 -123.63989 -117.07340 6.56649 2.60273 -117.13977 979.14241
3515.0000 -123.67126 -116.74541 6.92584 2.60139 -117.15837 949.28608
3520.0000 -122.39848 -116.13886 6.25962 2.67663 -116.11018 980.64004
3525.0000 -124.45729 -118.09938 6.35791 2.61877 -116.91623 951.59384
3530.0000 -123.34296 -117.22333 6.11963 2.57069 -117.58604 938.98663
3535.0000 -123.59553 -119.08623 4.50929 2.54040 -118.00806 900.17535
3540.0000 -124.46507 -118.67173 5.79333 2.48739 -118.74655 863.12171
3545.0000 -125.99924 -120.98813 5.01111 2.39420 -120.04486 779.57852
3550.0000 -125.84699 -120.84372 5.00327 2.33849 -120.82096 742.02187
3555.0000 -125.00045 -118.36371 6.63674 2.42615 -119.59970 805.50217
3560.0000 -123.44406 -117.19132 6.25274 2.57005 -117.59505 929.43886
3565.0000 -121.88090 -115.53313 6.34777 2.64159 -116.59836 958.07103
3570.0000 -123.56350 -117.65555 5.90795 2.61493 -116.96977 948.57044
3575.0000 -124.34040 -118.31384 6.02656 2.49211 -118.68089 863.96042
3580.0000 -124.68873 -117.89263 6.79610 2.56090 -117.72251 935.74507
3585.0000 -122.94761 -116.07404 6.87357 2.57562 -117.51741 937.85794
3590.0000 -124.45342 -117.45560 6.99782 2.59200 -117.28921 935.27758
3595.0000 -122.93563 -116.63097 6.30466 2.58395 -117.40129 905.37204
3600.0000 -123.79215 -117.65953 6.13262 2.61908 -116.91191 940.23684
3605.0000 -124.59000 -117.79159 6.79841 2.61845 -116.92065 975.99925
3610.0000 -122.72531 -116.27230 6.45300 2.62287 -116.85916 967.73076
3615.0000 -123.76765 -117.12189 6.64577 2.64894 -116.49594 976.39062
3620.0000 -124.06196 -117.92419 6.13777 2.61212 -117.00891 947.74814
3625.0000 -123.55225 -118.19650 5.35576 2.50486 -118.50325 881.49531
3630.0000 -124.25359 -116.03172 8.22186 2.61081 -117.02707 946.39571
3635.0000 -124.61130 -118.73119 5.88011 2.55952 -117.74167 937.32409
3640.0000 -124.53447 -118.02961 6.50486 2.52016 -118.29005 889.18495
3645.0000 -124.37968 -118.58261 5.79707 2.51418 -118.37339 903.27294
3650.0000 -124.41168 -118.87915 5.53254 2.45988 -119.12981 837.54225
3655.0000 -124.96485 -120.08631 4.87854 2.47781 -118.87998 846.67169
3660.0000 -124.48634 -118.68535 5.80098 2.47844 -118.87125 851.96912
3665.0000 -123.94258 -117.05749 6.88509 2.55087 -117.86214 904.64276
3670.0000 -123.18013 -117.27278 5.90735 2.60942 -117.04656 963.56312
3675.0000 -122.65334 -115.73521 6.91813 2.66900 -116.21650 1003.12448
3680.0000 -122.08375 -115.35942 6.72434 2.65276 -116.44266 952.15949
3685.0000 -122.88611 -116.40474 6.48137 2.71805 -115.53313 1017.87028
3690.0000 -123.47758 -115.91986 7.55771 2.60333 -117.13139 953.78391
3695.0000 -122.64399 -116.35155 6.29244 2.64839 -116.50354 996.82328
3700.0000 -123.96629 -116.73286 7.23343 2.66730 -116.24018 1007.27607
3705.0000 -125.72845 -118.52886 7.19959 2.55044 -117.86818 903.31191
3710.0000 -125.36751 -118.41463 6.95288 2.50201 -118.54292 878.07913
3715.0000 -123.54701 -118.28222 5.26479 2.49857 -118.59078 892.60867
3720.0000 -124.15716 -117.68991 6.46725 2.52152 -118.27111 926.05314
3725.0000 -124.56086 -116.66959 7.89127 2.60408 -117.12091 963.58829
3730.0000 -123.12182 -116.42791 6.69390 2.68481 -115.99615 1002.67386
3735.0000 -124.86224 -117.98400 6.87824 2.64606 -116.53598 964.59698
3740.0000 -122.81858 -116.83283 5.98574 2.58269 -117.41892 943.96318
3745.0000 -124.96589 -118.78202 6.18387 2.49920 -118.58205 865.00146
3750.0000 -123.70061 -117.99291 5.70770 2.51894 -118.30698 929.07369
FREEZING PROCESS: loop number 16 T-loop= 896.00000000000000
main_MD> interactions number 16 at Temperature= 896.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.12780 0.99158 0.45405
force_rgl> df(natom) 1.98041 2.14230 -5.09855
3755.0000 -123.66868 -117.55248 6.11620 2.52010 -118.29088 854.03713
3760.0000 -123.17283 -117.93682 5.23601 2.56071 -117.72507 893.19368
3765.0000 -124.06561 -117.07494 6.99067 2.54933 -117.88371 879.49942
3770.0000 -124.25468 -117.89604 6.35864 2.58868 -117.33538 933.84114
3775.0000 -123.60254 -117.00136 6.60118 2.61677 -116.94413 962.78590
3780.0000 -123.42185 -115.26589 8.15596 2.69102 -115.90962 1005.60051
3785.0000 -123.26163 -115.68499 7.57664 2.73782 -115.25768 1003.24985
3790.0000 -123.60160 -117.17575 6.42586 2.72651 -115.41525 1061.20722
3795.0000 -123.16221 -118.08237 5.07984 2.57686 -117.50006 929.64924
3800.0000 -124.59773 -118.04034 6.55738 2.53895 -118.02832 916.77458
3805.0000 -123.98189 -117.51552 6.46637 2.51281 -118.39246 872.55588
3810.0000 -123.16923 -117.82911 5.34012 2.58370 -117.40485 910.85841
3815.0000 -124.54726 -117.62268 6.92458 2.60384 -117.12418 943.30207
3820.0000 -125.15943 -119.10857 6.05086 2.49341 -118.66278 875.31184
3825.0000 -124.00155 -117.88831 6.11324 2.49830 -118.59462 901.34380
3830.0000 -124.18327 -117.75130 6.43197 2.59440 -117.25582 994.69286
3835.0000 -125.09495 -118.17930 6.91565 2.52086 -118.28036 912.15918
3840.0000 -122.58878 -116.79528 5.79350 2.56789 -117.62508 926.84150
3845.0000 -125.58338 -118.87202 6.71136 2.55990 -117.73633 900.21841
3850.0000 -124.64560 -117.67255 6.97305 2.50593 -118.48831 898.52067
3855.0000 -125.17674 -119.43793 5.73881 2.52055 -118.28459 865.18914
3860.0000 -125.40296 -119.79725 5.60571 2.38101 -120.22858 785.56593
3865.0000 -125.40489 -118.63761 6.76728 2.52779 -118.18368 909.26247
3870.0000 -123.23432 -117.90518 5.32914 2.49642 -118.62083 859.87338
3875.0000 -124.08162 -118.35606 5.72555 2.52816 -118.17862 891.21168
3880.0000 -123.41267 -118.36968 5.04300 2.50306 -118.52827 870.32207
3885.0000 -124.33775 -118.03487 6.30288 2.56083 -117.72346 933.38854
3890.0000 -124.46367 -119.07645 5.38722 2.48674 -118.75564 874.94682
3895.0000 -124.63811 -119.46452 5.17358 2.46267 -119.09103 851.09716
3900.0000 -124.26485 -118.30485 5.96000 2.44731 -119.30490 844.69018
3905.0000 -125.90790 -120.08011 5.82779 2.47473 -118.92294 836.35232
3910.0000 -124.61278 -119.00350 5.60927 2.39180 -120.07825 778.49889
3915.0000 -125.06295 -117.91094 7.15200 2.52571 -118.21266 892.04622
3920.0000 -124.46509 -117.74225 6.72283 2.56503 -117.66489 933.25417
3925.0000 -123.81303 -117.89905 5.91398 2.48394 -118.79466 878.07291
3930.0000 -125.25328 -120.16915 5.08413 2.49907 -118.58384 892.60128
3935.0000 -124.17788 -118.69170 5.48619 2.47416 -118.93085 853.22200
3940.0000 -124.65710 -119.03381 5.62329 2.47643 -118.89926 859.78984
3945.0000 -124.91071 -119.21590 5.69482 2.43218 -119.51578 832.24790
3950.0000 -124.52746 -118.59503 5.93243 2.47937 -118.85827 815.97346
3955.0000 -123.94492 -118.08709 5.85783 2.53694 -118.05630 912.51547
3960.0000 -124.29992 -118.42946 5.87046 2.56838 -117.61822 925.71190
3965.0000 -124.88989 -118.39078 6.49912 2.49746 -118.60624 857.36587
3970.0000 -124.38129 -119.32257 5.05872 2.48258 -118.81364 839.58208
3975.0000 -124.25017 -118.07687 6.17329 2.51969 -118.29665 874.00188
3980.0000 -122.65659 -116.81084 5.84575 2.62025 -116.89567 982.13622
3985.0000 -124.60383 -118.14166 6.46217 2.62074 -116.88883 962.13007
3990.0000 -123.77821 -117.69783 6.08037 2.53673 -118.05915 945.89744
3995.0000 -123.62751 -117.94045 5.68705 2.53541 -118.07753 906.65170
4000.0000 -124.75143 -118.81493 5.93649 2.52443 -118.23061 877.79886
FREEZING PROCESS: loop number 17 T-loop= 871.00000000000000
main_MD> interactions number 17 at Temperature= 871.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.42917 -3.94753 1.04381
force_rgl> df(natom) -0.09371 -0.69511 3.92099
4005.0000 -123.00985 -116.38104 6.62881 2.54090 -118.00115 893.67600
4010.0000 -123.67939 -118.08784 5.59155 2.60791 -117.06757 944.35097
4015.0000 -124.40075 -118.95303 5.44772 2.50971 -118.43565 900.80485
4020.0000 -123.16163 -116.70945 6.45218 2.53137 -118.13382 916.65076
4025.0000 -122.35936 -117.12100 5.23836 2.60555 -117.10038 946.50900
4030.0000 -123.35626 -117.51027 5.84599 2.55582 -117.79326 884.78776
4035.0000 -122.41659 -115.54579 6.87080 2.66743 -116.23838 952.15014
4040.0000 -122.17584 -116.09391 6.08193 2.70103 -115.77017 998.83338
4045.0000 -122.67785 -115.99096 6.68689 2.62697 -116.80194 999.13602
4050.0000 -124.26342 -117.97001 6.29341 2.57177 -117.57102 928.35300
4055.0000 -123.94184 -117.20610 6.73574 2.57463 -117.53112 888.02786
4060.0000 -124.27350 -119.03594 5.23756 2.50866 -118.45021 898.68851
4065.0000 -125.17372 -118.58115 6.59257 2.46777 -119.01997 838.96829
4070.0000 -124.09018 -118.41694 5.67324 2.46078 -119.11724 832.93835
4075.0000 -122.11416 -115.94445 6.16971 2.57619 -117.50945 949.70113
4080.0000 -124.47308 -118.03549 6.43759 2.64281 -116.58135 970.41505
4085.0000 -124.29318 -117.52546 6.76771 2.56488 -117.66704 903.38103
4090.0000 -123.75173 -117.55357 6.19816 2.53520 -118.08053 912.57472
4095.0000 -124.25942 -118.61962 5.63980 2.51010 -118.43024 887.64706
4100.0000 -123.89512 -118.73922 5.15590 2.52185 -118.26656 887.06301
4105.0000 -124.87616 -118.86712 6.00904 2.48819 -118.73542 861.75952
4110.0000 -126.16850 -120.37698 5.79153 2.40029 -119.96005 797.63295
4115.0000 -126.09046 -121.66569 4.42477 2.33589 -120.85720 755.22362
4120.0000 -125.34275 -119.59902 5.74373 2.35758 -120.55500 779.95906
4125.0000 -124.87660 -119.18635 5.69026 2.45005 -119.26678 815.90547
4130.0000 -123.89762 -118.96722 4.93040 2.46334 -119.08164 828.12412
4135.0000 -124.09285 -117.67064 6.42221 2.54978 -117.87733 884.59303
4140.0000 -124.43858 -117.95687 6.48170 2.52419 -118.23393 884.02826
4145.0000 -124.19187 -118.35361 5.83826 2.53573 -118.07311 874.08186
4150.0000 -123.95307 -118.65095 5.30213 2.48137 -118.83044 847.60510
4155.0000 -124.56627 -119.86543 4.70084 2.41082 -119.81339 774.48972
4160.0000 -124.40844 -118.55340 5.85504 2.45841 -119.15035 837.75826
4165.0000 -124.01188 -117.88945 6.12243 2.51931 -118.30192 864.84670
4170.0000 -123.41773 -116.40712 7.01061 2.60821 -117.06333 973.49877
4175.0000 -123.68645 -117.68024 6.00621 2.59596 -117.23397 918.77565
4180.0000 -123.13473 -117.64150 5.49323 2.55169 -117.85081 899.90188
4185.0000 -125.23773 -119.86865 5.36908 2.49111 -118.69470 874.85264
4190.0000 -123.45751 -117.23539 6.22212 2.47323 -118.94383 854.94373
4195.0000 -124.95101 -117.53166 7.41934 2.57957 -117.46233 924.18480
4200.0000 -123.68134 -118.51262 5.16873 2.52869 -118.17123 864.61489
4205.0000 -124.15403 -118.46200 5.69203 2.47588 -118.90687 878.65489
4210.0000 -124.33875 -118.69425 5.64450 2.45533 -119.19316 825.12776
4215.0000 -123.92479 -117.20060 6.72418 2.51829 -118.31607 917.41945
4220.0000 -124.23437 -118.91109 5.32328 2.53167 -118.12969 909.04403
4225.0000 -123.98213 -118.60579 5.37634 2.47712 -118.88971 863.67835
4230.0000 -125.22789 -119.27697 5.95092 2.46131 -119.10990 820.05307
4235.0000 -124.94104 -119.18629 5.75475 2.48050 -118.84252 838.47506
4240.0000 -125.38952 -118.93594 6.45358 2.50779 -118.46232 866.72542
4245.0000 -124.75753 -119.60945 5.14809 2.47168 -118.96545 856.45851
4250.0000 -125.11663 -119.52774 5.58889 2.47992 -118.85064 851.72322
FREEZING PROCESS: loop number 18 T-loop= 846.00000000000000
main_MD> interactions number 18 at Temperature= 846.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.06741 -0.26535 -2.79324
force_rgl> df(natom) 5.07791 -1.02244 -2.02047
4255.0000 -125.19164 -120.36616 4.82547 2.40816 -119.85033 831.45050
4260.0000 -125.03757 -118.78703 6.25053 2.38238 -120.20950 768.67905
4265.0000 -126.29623 -120.09541 6.20082 2.43974 -119.41043 826.96186
4270.0000 -125.96587 -119.44874 6.51714 2.40316 -119.92006 809.33156
4275.0000 -124.23579 -118.44945 5.78634 2.49996 -118.57142 867.46527
4280.0000 -125.01612 -118.38616 6.62995 2.52517 -118.22031 916.90273
4285.0000 -124.33924 -117.85994 6.47930 2.52003 -118.29181 890.97192
4290.0000 -126.49029 -121.20452 5.28577 2.39644 -120.01372 798.71823
4295.0000 -125.15281 -119.60848 5.54433 2.37053 -120.37467 817.23840
4300.0000 -124.79444 -119.59837 5.19607 2.41883 -119.70176 808.66975
4305.0000 -125.63898 -119.96599 5.67299 2.40873 -119.84249 818.68048
4310.0000 -125.01073 -119.44138 5.56935 2.39975 -119.96752 832.38269
4315.0000 -124.05503 -118.53038 5.52465 2.47877 -118.86662 862.61921
4320.0000 -123.85922 -118.15956 5.69966 2.46370 -119.07655 857.98006
4325.0000 -123.61072 -116.67576 6.93497 2.56086 -117.72300 904.61834
4330.0000 -123.61668 -118.24681 5.36987 2.54728 -117.91227 872.80657
4335.0000 -125.61346 -121.61704 3.99642 2.39219 -120.07285 787.68218
4340.0000 -126.22385 -121.02574 5.19811 2.29340 -121.44918 725.04915
4345.0000 -125.04810 -118.54170 6.50640 2.37220 -120.35134 756.41239
4350.0000 -123.41479 -117.62010 5.79469 2.53657 -118.06136 905.24501
4355.0000 -124.23700 -119.71226 4.52475 2.47949 -118.85657 845.77542
4360.0000 -122.90588 -117.77657 5.12931 2.52084 -118.28051 849.12400
4365.0000 -124.46832 -119.14393 5.32438 2.52596 -118.20922 869.79484
4370.0000 -124.55622 -120.17425 4.38198 2.43623 -119.45933 810.53435
4375.0000 -126.02372 -119.50838 6.51534 2.46787 -119.01846 837.99772
4380.0000 -124.26930 -118.91588 5.35342 2.45656 -119.17608 813.71930
4385.0000 -124.51793 -119.11303 5.40490 2.45672 -119.17387 830.60278
4390.0000 -125.38861 -120.32039 5.06823 2.40741 -119.86089 814.24037
4395.0000 -125.42184 -119.33707 6.08477 2.44808 -119.29418 873.39569
4400.0000 -125.02676 -119.74129 5.28547 2.43742 -119.44269 850.15838
4405.0000 -126.60174 -122.14260 4.45914 2.40191 -119.93749 790.45888
4410.0000 -125.48024 -119.69407 5.78617 2.30996 -121.21844 729.91826
4415.0000 -125.73182 -120.43496 5.29686 2.41012 -119.82301 804.29744
4420.0000 -124.45155 -118.27045 6.18110 2.42324 -119.64025 803.73470
4425.0000 -124.50226 -118.12140 6.38085 2.51081 -118.42035 869.33398
4430.0000 -124.72972 -118.52767 6.20205 2.51189 -118.40529 866.94013
4435.0000 -123.72105 -117.88795 5.83310 2.51155 -118.40994 852.98267
4440.0000 -124.46168 -118.75742 5.70426 2.53173 -118.12889 891.06088
4445.0000 -125.03448 -118.00167 7.03281 2.51644 -118.34180 885.43646
4450.0000 -125.71834 -119.10366 6.61468 2.53217 -118.12278 899.11593
4455.0000 -125.40154 -120.49746 4.90408 2.41316 -119.78073 803.64032
4460.0000 -124.88970 -120.33645 4.55325 2.32647 -120.98847 739.87370
4465.0000 -124.37594 -118.33775 6.03820 2.41418 -119.76656 791.93184
4470.0000 -125.69900 -119.07392 6.62508 2.48194 -118.82244 888.59606
4475.0000 -124.55742 -118.45964 6.09778 2.46147 -119.10763 851.17890
4480.0000 -124.26181 -117.93776 6.32405 2.48583 -118.76831 860.54180
4485.0000 -123.35628 -117.47842 5.87786 2.54509 -117.94267 899.54156
4490.0000 -125.13588 -118.62221 6.51367 2.55545 -117.79841 911.04316
4495.0000 -123.67850 -118.54473 5.13377 2.47672 -118.89527 843.34332
4500.0000 -125.96418 -119.05773 6.90645 2.46002 -119.12794 857.39667
FREEZING PROCESS: loop number 19 T-loop= 821.00000000000000
main_MD> interactions number 19 at Temperature= 821.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46070 0.94883 -0.25107
force_rgl> df(natom) -2.70592 2.62916 1.05764
4505.0000 -125.41132 -120.09436 5.31695 2.41777 -119.71653 832.14517
4510.0000 -124.54282 -118.82521 5.71761 2.45156 -119.24574 843.95646
4515.0000 -125.33961 -118.95165 6.38796 2.44645 -119.31697 843.36987
4520.0000 -125.89332 -119.94825 5.94507 2.41952 -119.69216 819.25666
4525.0000 -125.78058 -119.57098 6.20960 2.43839 -119.42917 861.47946
4530.0000 -125.63034 -120.17923 5.45110 2.39537 -120.02859 807.48696
4535.0000 -126.07642 -120.46676 5.60965 2.42253 -119.65014 825.17126
4540.0000 -123.77041 -118.64881 5.12160 2.41638 -119.73585 850.26916
4545.0000 -124.44846 -118.91240 5.53606 2.48154 -118.82813 856.00041
4550.0000 -126.47602 -120.68644 5.78958 2.37513 -120.31058 773.08000
4555.0000 -125.59775 -119.92399 5.67376 2.37085 -120.37018 786.46285
4560.0000 -123.91591 -118.83759 5.07832 2.40747 -119.85998 809.08526
4565.0000 -125.31419 -119.65380 5.66039 2.45405 -119.21107 821.27696
4570.0000 -123.42849 -119.16828 4.26021 2.43212 -119.51655 805.42857
4575.0000 -125.07815 -120.07609 5.00205 2.42628 -119.59795 818.79469
4580.0000 -126.61835 -120.40331 6.21504 2.39414 -120.04567 806.97716
4585.0000 -126.18815 -119.74536 6.44279 2.36947 -120.38937 785.18545
4590.0000 -125.17692 -119.40313 5.77379 2.48817 -118.73576 861.09888
4595.0000 -127.13992 -121.43061 5.70931 2.41028 -119.82090 801.48271
4600.0000 -123.44539 -117.90641 5.53898 2.37610 -120.29700 756.44272
4605.0000 -125.84775 -119.87569 5.97207 2.48290 -118.80910 848.13366
4610.0000 -125.64620 -120.67574 4.97046 2.37521 -120.30938 755.62559
4615.0000 -125.05261 -119.73131 5.32130 2.42102 -119.67124 817.19890
4620.0000 -124.95293 -119.76287 5.19006 2.45269 -119.22999 847.68526
4625.0000 -126.00647 -120.43329 5.57318 2.44661 -119.31478 864.44495
4630.0000 -125.82637 -120.15051 5.67585 2.40173 -119.94003 840.51620
4635.0000 -124.91404 -119.37791 5.53613 2.39693 -120.00688 817.66858
4640.0000 -124.42972 -118.32235 6.10737 2.44574 -119.32683 832.57217
4645.0000 -123.95044 -118.29441 5.65603 2.53923 -118.02432 901.55172
4650.0000 -123.45023 -117.92243 5.52780 2.51892 -118.30738 897.18597
4655.0000 -125.04539 -119.60194 5.44345 2.49051 -118.70312 833.72663
4660.0000 -127.00674 -120.65622 6.35052 2.36050 -120.51431 791.48448
4665.0000 -125.31396 -120.83803 4.47592 2.35127 -120.64293 765.26845
4670.0000 -125.45806 -120.11955 5.33851 2.37751 -120.27745 733.41652
4675.0000 -125.26539 -120.49901 4.76638 2.38998 -120.10369 773.37365
4680.0000 -125.18279 -119.96378 5.21901 2.41051 -119.81765 805.60573
4685.0000 -123.60804 -117.67792 5.93012 2.46257 -119.09230 841.96320
4690.0000 -125.63393 -120.31875 5.31518 2.46136 -119.10919 805.67463
4695.0000 -125.44830 -119.57133 5.87698 2.44987 -119.26926 811.92292
4700.0000 -126.83474 -122.14450 4.69024 2.32280 -121.03955 736.54722
4705.0000 -126.76815 -120.75566 6.01249 2.27253 -121.73989 686.58495
4710.0000 -125.82421 -121.03377 4.79044 2.31215 -121.18790 755.22358
4715.0000 -125.80277 -120.14385 5.65892 2.39926 -119.97441 798.42429
4720.0000 -124.63930 -120.11072 4.52858 2.41972 -119.68936 847.27606
4725.0000 -126.73185 -122.30881 4.42304 2.33850 -120.82089 779.84917
4730.0000 -126.13500 -121.08932 5.04567 2.30239 -121.32389 760.47525
4735.0000 -124.41665 -119.46742 4.94923 2.39030 -120.09923 796.48496
4740.0000 -126.63754 -121.93519 4.70235 2.38886 -120.11929 806.73662
4745.0000 -125.92388 -121.09479 4.82909 2.30163 -121.33452 751.72725
4750.0000 -125.04265 -119.48319 5.55946 2.38083 -120.23119 791.72088
FREEZING PROCESS: loop number 20 T-loop= 796.00000000000000
main_MD> interactions number 20 at Temperature= 796.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24159 0.83823 -0.58747
force_rgl> df(natom) -0.42976 1.18791 0.77609
4755.0000 -125.31211 -119.06055 6.25156 2.44998 -119.26780 844.29716
4760.0000 -123.82605 -118.22656 5.59949 2.49359 -118.66016 877.74967
4765.0000 -126.07746 -120.73236 5.34510 2.38522 -120.16995 784.60638
4770.0000 -125.57935 -121.58301 3.99634 2.29210 -121.46734 716.61387
4775.0000 -125.01659 -119.94596 5.07063 2.35510 -120.58959 767.84573
4780.0000 -126.23228 -121.06388 5.16840 2.37498 -120.31260 818.79683
4785.0000 -125.67753 -120.43112 5.24642 2.34608 -120.71531 755.12355
4790.0000 -126.37744 -120.53902 5.83841 2.30667 -121.26436 743.56542
4795.0000 -125.43344 -120.36326 5.07018 2.39189 -120.07711 781.19029
4800.0000 -124.98167 -119.84221 5.13946 2.39630 -120.01565 803.29092
4805.0000 -125.71579 -121.16070 4.55509 2.38424 -120.18367 771.64103
4810.0000 -125.34974 -119.53133 5.81841 2.39126 -120.08577 792.77795
4815.0000 -125.01188 -120.24734 4.76454 2.44207 -119.37802 806.94661
4820.0000 -127.16025 -122.37921 4.78104 2.32742 -120.97525 738.04158
4825.0000 -126.87907 -122.62408 4.25499 2.22776 -122.36366 673.15433
4830.0000 -126.06292 -121.49316 4.56976 2.23803 -122.22060 683.05228
4835.0000 -126.21769 -121.89548 4.32221 2.23430 -122.27255 685.99829
4840.0000 -125.73849 -121.53237 4.20612 2.29093 -121.48356 725.89729
4845.0000 -126.09914 -121.22020 4.87894 2.30562 -121.27890 752.17920
4850.0000 -125.92605 -119.91436 6.01169 2.30778 -121.24888 750.13816
4855.0000 -126.15945 -121.42778 4.73168 2.35666 -120.56790 770.18369
4860.0000 -126.10787 -120.42820 5.67967 2.34398 -120.74454 757.90159
4865.0000 -124.62608 -120.06479 4.56129 2.38104 -120.22820 788.65647
4870.0000 -125.73678 -120.66096 5.07581 2.36057 -120.51343 789.10537
4875.0000 -124.68754 -118.92094 5.76660 2.39001 -120.10322 812.10836
4880.0000 -125.92164 -120.68753 5.23411 2.42776 -119.57731 832.60058
4885.0000 -125.73472 -120.78010 4.95462 2.34722 -120.69935 764.17721
4890.0000 -125.74586 -120.52935 5.21651 2.36991 -120.38329 752.41396
4895.0000 -125.38890 -119.93610 5.45280 2.42044 -119.67928 819.36475
4900.0000 -125.05311 -119.62010 5.43301 2.42271 -119.64768 824.27346
4905.0000 -126.08861 -120.85639 5.23222 2.35997 -120.52177 764.87251
4910.0000 -124.88241 -120.05888 4.82353 2.34898 -120.67490 766.88948
4915.0000 -126.59582 -121.69017 4.90564 2.29850 -121.37818 739.36896
4920.0000 -127.00139 -121.40400 5.59739 2.27546 -121.69908 721.74557
4925.0000 -125.99162 -121.94643 4.04519 2.30661 -121.26509 730.56171
4930.0000 -124.95029 -119.19745 5.75285 2.37723 -120.28128 801.40807
4935.0000 -124.69297 -119.46014 5.23283 2.46172 -119.10413 821.50302
4940.0000 -124.90282 -119.46948 5.43334 2.43133 -119.52764 797.09354
4945.0000 -125.93023 -120.37467 5.55556 2.37090 -120.36953 761.38316
4950.0000 -125.78099 -121.11917 4.66181 2.35411 -120.60343 773.22986
4955.0000 -126.09737 -120.96975 5.12762 2.31871 -121.09654 753.37270
4960.0000 -125.86653 -121.43400 4.43253 2.30091 -121.34461 730.75800
4965.0000 -126.38420 -120.86262 5.52159 2.31633 -121.12971 747.19826
4970.0000 -125.04663 -119.61630 5.43033 2.36979 -120.38490 771.64200
4975.0000 -124.72045 -117.60801 7.11243 2.50777 -118.46269 888.51828
4980.0000 -125.43562 -119.70628 5.72933 2.47923 -118.86030 876.22574
4985.0000 -125.46758 -120.26445 5.20313 2.39858 -119.98386 794.85638
4990.0000 -124.62221 -119.53736 5.08485 2.44235 -119.37399 855.69961
4995.0000 -123.56029 -118.17686 5.38343 2.46679 -119.03362 817.46665
5000.0000 -125.45631 -119.76853 5.68779 2.48877 -118.72738 832.32882
FREEZING PROCESS: loop number 21 T-loop= 771.00000000000000
main_MD> interactions number 21 at Temperature= 771.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24885 0.14541 1.32613
force_rgl> df(natom) -3.47190 -1.14731 -0.58050
5005.0000 -125.10753 -120.19168 4.91584 2.38061 -120.23413 789.42960
5010.0000 -124.52498 -119.79865 4.72633 2.41098 -119.81112 787.48019
5015.0000 -124.79244 -119.52752 5.26492 2.41923 -119.69615 795.92120
5020.0000 -124.79602 -119.60168 5.19434 2.43119 -119.52952 816.72118
5025.0000 -126.06506 -120.35837 5.70669 2.42676 -119.59130 800.54407
5030.0000 -126.20692 -121.49736 4.70955 2.35608 -120.57590 767.13585
5035.0000 -123.52731 -118.79715 4.73015 2.37837 -120.26547 808.91200
5040.0000 -125.39419 -119.04976 6.34444 2.44657 -119.31527 845.66960
5045.0000 -125.21971 -120.02912 5.19059 2.40931 -119.83440 794.89189
5050.0000 -126.73253 -121.84970 4.88283 2.33861 -120.81932 756.74635
5055.0000 -126.96745 -122.41906 4.54839 2.21058 -122.60298 654.46933
5060.0000 -127.78253 -122.32915 5.45338 2.23658 -122.24071 702.34938
5065.0000 -125.79265 -120.92508 4.86757 2.28030 -121.63173 708.58749
5070.0000 -126.19521 -121.15788 5.03733 2.33205 -120.91072 748.96134
5075.0000 -127.76195 -122.15594 5.60601 2.24600 -122.10954 682.58141
5080.0000 -125.16873 -120.83894 4.32979 2.27038 -121.76993 711.21158
5085.0000 -124.78564 -120.24002 4.54562 2.37671 -120.28852 782.66793
5090.0000 -125.03757 -120.13374 4.90383 2.41185 -119.79895 811.28134
5095.0000 -125.12469 -120.85125 4.27344 2.38047 -120.23611 786.30691
5100.0000 -126.88482 -122.01132 4.87349 2.26263 -121.87784 691.34463
5105.0000 -126.26683 -121.63788 4.62895 2.30160 -121.33492 751.98697
5110.0000 -125.78427 -120.25331 5.53096 2.33459 -120.87534 734.74033
5115.0000 -124.86659 -119.47903 5.38757 2.42013 -119.68362 803.49549
5120.0000 -124.88770 -119.87962 5.00808 2.41638 -119.73592 806.60854
5125.0000 -126.16336 -120.32110 5.84226 2.39324 -120.05829 785.27781
5130.0000 -125.45108 -120.11569 5.33540 2.38958 -120.10926 788.02887
5135.0000 -124.75853 -120.26909 4.48944 2.38719 -120.14256 799.85330
5140.0000 -126.14334 -121.49532 4.64803 2.33790 -120.82928 750.46280
5145.0000 -127.08412 -122.19608 4.88804 2.26502 -121.84457 707.65423
5150.0000 -126.08758 -122.11890 3.96868 2.30475 -121.29111 715.89564
5155.0000 -125.57150 -119.97152 5.59998 2.28111 -121.62044 706.52677
5160.0000 -125.82189 -120.71690 5.10499 2.40051 -119.95694 823.18439
5165.0000 -126.06789 -120.59310 5.47480 2.37030 -120.37785 782.43129
5170.0000 -125.81981 -120.62112 5.19869 2.33124 -120.92194 755.85224
5175.0000 -125.86032 -121.03244 4.82787 2.31830 -121.10232 748.17705
5180.0000 -125.93197 -120.69256 5.23940 2.31676 -121.12374 724.48122
5185.0000 -126.18371 -121.93374 4.24998 2.28253 -121.60055 669.04260
5190.0000 -125.38330 -119.86985 5.51345 2.34240 -120.76656 779.27240
5195.0000 -125.74757 -120.31912 5.42845 2.35948 -120.52857 777.13900
5200.0000 -125.73461 -121.02567 4.70894 2.34730 -120.69829 770.23660
5205.0000 -124.72876 -119.81948 4.90928 2.36407 -120.46461 775.61101
5210.0000 -125.80646 -120.30683 5.49963 2.39103 -120.08905 769.26612
5215.0000 -126.16680 -122.01441 4.15239 2.28649 -121.54548 711.52779
5220.0000 -125.77924 -121.10656 4.67268 2.29710 -121.39765 712.04933
5225.0000 -125.58885 -120.21875 5.37010 2.32102 -121.06433 748.42188
5230.0000 -126.59197 -120.51863 6.07334 2.40940 -119.83312 814.89091
5235.0000 -126.21924 -121.01788 5.20136 2.30501 -121.28747 733.48383
5240.0000 -125.83968 -119.74592 6.09377 2.37938 -120.25127 781.60592
5245.0000 -125.77470 -120.74581 5.02890 2.38129 -120.22478 798.17689
5250.0000 -125.70781 -120.59931 5.10850 2.36568 -120.44215 757.68979
FREEZING PROCESS: loop number 22 T-loop= 746.00000000000000
main_MD> interactions number 22 at Temperature= 746.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59191 0.04428 -3.44370
force_rgl> df(natom) 2.96179 2.44836 -1.91854
5255.0000 -125.13681 -120.04603 5.09078 2.43031 -119.54173 811.46460
5260.0000 -125.36314 -120.41710 4.94604 2.37250 -120.34713 781.49973
5265.0000 -125.86593 -120.95345 4.91249 2.36096 -120.50793 763.77796
5270.0000 -126.74254 -121.41035 5.33219 2.31664 -121.12535 726.82099
5275.0000 -126.02770 -121.06511 4.96259 2.34626 -120.71276 779.71917
5280.0000 -126.26487 -121.17912 5.08575 2.32906 -120.95242 750.20940
5285.0000 -125.54944 -121.00623 4.54321 2.30922 -121.22883 741.24868
5290.0000 -126.25028 -121.88104 4.36924 2.26756 -121.80914 687.00294
5295.0000 -125.23190 -120.74506 4.48685 2.32050 -121.07164 722.15813
5300.0000 -125.82105 -120.58859 5.23245 2.36811 -120.40839 783.44338
5305.0000 -125.59488 -120.76900 4.82588 2.34859 -120.68028 761.34089
5310.0000 -125.32659 -120.39314 4.93344 2.36622 -120.43462 746.05834
5315.0000 -125.89617 -121.09391 4.80227 2.33951 -120.80675 756.24666
5320.0000 -126.23556 -121.50731 4.72825 2.31989 -121.08015 703.44755
5325.0000 -126.15439 -121.58518 4.56921 2.28108 -121.62083 695.40044
5330.0000 -125.06173 -120.88739 4.17434 2.29747 -121.39242 717.90362
5335.0000 -125.23977 -119.66933 5.57044 2.40531 -119.89013 782.54734
5340.0000 -125.56304 -120.24632 5.31672 2.42532 -119.61136 841.43566
5345.0000 -125.23660 -120.24843 4.98817 2.40207 -119.93516 828.74519
5350.0000 -124.94974 -119.47384 5.47590 2.38166 -120.21955 784.58013
5355.0000 -125.19496 -120.19373 5.00124 2.45397 -119.21212 828.02032
5360.0000 -127.34399 -121.71685 5.62714 2.30993 -121.21885 764.45283
5365.0000 -126.47661 -122.13044 4.34617 2.28003 -121.63543 747.55038
5370.0000 -126.22840 -122.16805 4.06035 2.24880 -122.07050 686.52108
5375.0000 -125.57704 -120.40753 5.16951 2.33871 -120.81793 753.40937
5380.0000 -126.81318 -121.95881 4.85437 2.29634 -121.40816 728.88836
5385.0000 -126.67087 -120.85870 5.81217 2.30329 -121.31138 749.78658
5390.0000 -125.85746 -120.14711 5.71034 2.36372 -120.46957 754.64527
5395.0000 -125.86480 -121.22712 4.63768 2.36610 -120.43637 761.85079
5400.0000 -126.65792 -122.72858 3.92934 2.30098 -121.34355 718.14697
5405.0000 -127.70620 -123.63992 4.06628 2.19845 -122.77192 647.90458
5410.0000 -126.02667 -121.04152 4.98516 2.29290 -121.45621 739.16942
5415.0000 -126.70863 -121.78598 4.92265 2.25390 -121.99951 713.52045
5420.0000 -125.22395 -120.08019 5.14375 2.35542 -120.58514 773.48897
5425.0000 -126.01261 -120.72723 5.28537 2.38991 -120.10462 816.42141
5430.0000 -124.37898 -119.98074 4.39824 2.42926 -119.55645 818.64431
5435.0000 -126.63560 -121.97650 4.65910 2.36257 -120.48553 779.75074
5440.0000 -125.93431 -120.99411 4.94021 2.30111 -121.34172 729.33803
5445.0000 -125.35818 -121.31976 4.03842 2.34425 -120.74074 753.78135
5450.0000 -125.94759 -120.92629 5.02129 2.33341 -120.89179 726.46424
5455.0000 -126.64131 -120.70021 5.94110 2.32567 -120.99966 751.21896
5460.0000 -127.39392 -122.20042 5.19350 2.25936 -121.92341 694.83670
5465.0000 -125.81340 -120.64973 5.16367 2.26910 -121.78774 679.33367
5470.0000 -125.57463 -120.14222 5.43242 2.35922 -120.53214 769.53705
5475.0000 -125.37091 -120.85548 4.51543 2.35948 -120.52851 752.63569
5480.0000 -127.23888 -121.35086 5.88802 2.32016 -121.07638 723.22673
5485.0000 -127.00450 -122.79542 4.20908 2.26425 -121.85522 719.46494
5490.0000 -127.03079 -121.73233 5.29847 2.20877 -122.62823 657.54310
5495.0000 -126.45358 -121.24023 5.21335 2.25519 -121.98151 704.16655
5500.0000 -126.75099 -121.14939 5.60160 2.34577 -120.71953 766.23429
FREEZING PROCESS: loop number 23 T-loop= 721.00000000000000
main_MD> interactions number 23 at Temperature= 721.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84026 0.29689 -0.90491
force_rgl> df(natom) 2.16449 2.29833 1.66803
5505.0000 -127.08747 -122.87655 4.21092 2.29990 -121.35869 704.50965
5510.0000 -126.27586 -121.08947 5.18639 2.28202 -121.60768 703.91481
5515.0000 -126.73690 -122.51100 4.22590 2.29423 -121.43768 699.19665
5520.0000 -127.64008 -123.16756 4.47251 2.20083 -122.73886 650.46550
5525.0000 -127.80762 -122.05118 5.75644 2.23791 -122.22227 705.33835
5530.0000 -126.41587 -122.29295 4.12291 2.26333 -121.86815 711.73762
5535.0000 -127.23776 -122.12422 5.11354 2.23977 -122.19631 705.66217
5540.0000 -126.96114 -123.56831 3.39283 2.21399 -122.55550 667.57695
5545.0000 -126.49840 -122.04714 4.45126 2.24616 -122.10727 698.28788
5550.0000 -126.72081 -121.91565 4.80515 2.19550 -122.81311 637.07964
5555.0000 -125.68029 -121.69583 3.98446 2.24748 -122.08890 665.16360
5560.0000 -126.83841 -121.96045 4.87796 2.29765 -121.38998 721.52181
5565.0000 -125.61819 -121.35087 4.26732 2.26428 -121.85492 678.36687
5570.0000 -126.64268 -121.88533 4.75735 2.29412 -121.43916 715.90104
5575.0000 -124.55653 -119.83996 4.71657 2.30953 -121.22441 740.43349
5580.0000 -126.17381 -120.23545 5.93836 2.40797 -119.85296 786.37045
5585.0000 -124.83969 -119.46400 5.37569 2.38332 -120.19648 749.82114
5590.0000 -126.45477 -122.10270 4.35208 2.29391 -121.44205 679.89582
5595.0000 -125.86640 -120.40037 5.46603 2.27878 -121.65286 703.61193
5600.0000 -125.47796 -119.85034 5.62763 2.40048 -119.95743 790.63356
5605.0000 -126.34264 -122.10541 4.23723 2.34396 -120.74484 755.26862
5610.0000 -126.50714 -123.03045 3.47669 2.24662 -122.10093 687.65860
5615.0000 -126.55377 -121.38474 5.16903 2.28568 -121.55677 738.81789
5620.0000 -126.24961 -120.92267 5.32694 2.35160 -120.63832 744.70126
5625.0000 -125.76342 -121.87085 3.89257 2.28994 -121.49735 698.73595
5630.0000 -125.68053 -120.21085 5.46968 2.34622 -120.71324 731.75383
5635.0000 -125.88143 -121.24778 4.63365 2.36478 -120.45476 738.18011
5640.0000 -126.46589 -121.86865 4.59724 2.27445 -121.71324 672.29017
5645.0000 -127.50458 -122.98099 4.52359 2.19834 -122.77354 658.72176
5650.0000 -127.53573 -122.59470 4.94103 2.23614 -122.24685 670.14979
5655.0000 -127.01798 -122.81241 4.20556 2.23325 -122.28720 666.31537
5660.0000 -127.48125 -122.59458 4.88667 2.20479 -122.68365 669.18737
5665.0000 -126.80288 -121.20105 5.60183 2.26579 -121.83387 702.42567
5670.0000 -126.54547 -122.32543 4.22004 2.27284 -121.73560 704.52431
5675.0000 -124.96435 -120.10584 4.85851 2.33928 -120.80995 744.23042
5680.0000 -126.07805 -119.96297 6.11508 2.36330 -120.47539 764.21827
5685.0000 -125.40206 -120.72517 4.67689 2.32085 -121.06670 730.42091
5690.0000 -126.73257 -121.51931 5.21326 2.28340 -121.58855 713.82125
5695.0000 -127.42241 -121.68268 5.73973 2.29536 -121.42181 730.11054
5700.0000 -126.27754 -120.72074 5.55680 2.29391 -121.44208 737.21897
5705.0000 -125.57904 -121.49379 4.08525 2.33396 -120.88410 738.66950
5710.0000 -126.31074 -122.05959 4.25116 2.26778 -121.80604 695.33794
5715.0000 -126.20855 -121.94707 4.26147 2.24088 -122.18089 682.91949
5720.0000 -126.22022 -121.78292 4.43730 2.23250 -122.29763 660.74427
5725.0000 -125.86176 -120.99620 4.86557 2.27558 -121.69741 696.75172
5730.0000 -126.95969 -121.64950 5.31019 2.31778 -121.10949 737.58233
5735.0000 -126.75342 -121.36158 5.39184 2.30716 -121.25742 747.67466
5740.0000 -126.26967 -121.14129 5.12839 2.30070 -121.34748 737.94115
5745.0000 -126.24196 -121.32887 4.91308 2.27845 -121.65746 710.65281
5750.0000 -126.48538 -121.70548 4.77990 2.26772 -121.80693 672.93102
FREEZING PROCESS: loop number 24 T-loop= 696.00000000000000
main_MD> interactions number 24 at Temperature= 696.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.18809 -1.40830 -1.29670
force_rgl> df(natom) 0.02782 2.06092 -2.11069
5755.0000 -127.05060 -122.40770 4.64290 2.27273 -121.73719 691.56546
5760.0000 -127.48250 -122.97169 4.51081 2.21051 -122.60392 672.29947
5765.0000 -127.16367 -122.40676 4.75690 2.22933 -122.34175 667.44419
5770.0000 -126.66548 -122.14121 4.52426 2.23311 -122.28912 663.15087
5775.0000 -125.95602 -121.69863 4.25739 2.27033 -121.77061 682.00462
5780.0000 -127.00204 -122.63991 4.36213 2.23609 -122.24755 669.24273
5785.0000 -126.72923 -122.22486 4.50437 2.23166 -122.30925 659.65943
5790.0000 -125.99993 -121.33285 4.66708 2.29059 -121.48838 685.14353
5795.0000 -126.12803 -122.21737 3.91066 2.25529 -121.98014 693.70549
5800.0000 -126.52554 -121.47666 5.04888 2.25518 -121.98162 670.12487
5805.0000 -126.63845 -122.27462 4.36383 2.25514 -121.98216 670.43700
5810.0000 -127.23081 -123.00556 4.22525 2.21938 -122.48046 692.89470
5815.0000 -126.20481 -121.49742 4.70739 2.22469 -122.40646 656.16120
5820.0000 -126.84846 -122.04378 4.80468 2.26170 -121.89081 693.99974
5825.0000 -126.16251 -121.13678 5.02573 2.31354 -121.16858 732.50908
5830.0000 -126.06117 -121.51599 4.54518 2.25674 -121.95992 687.67890
5835.0000 -126.40721 -121.68458 4.72263 2.23315 -122.28861 687.26806
5840.0000 -126.16739 -121.98682 4.18057 2.26251 -121.87959 691.53484
5845.0000 -124.18716 -119.58681 4.60034 2.34567 -120.72098 732.78107
5850.0000 -125.92394 -120.61903 5.30491 2.37147 -120.36147 782.82058
5855.0000 -126.40838 -121.26154 5.14684 2.29904 -121.37060 728.69939
5860.0000 -126.90547 -122.38512 4.52035 2.26298 -121.87296 693.26991
5865.0000 -128.00231 -124.35323 3.64908 2.13769 -123.61844 608.28011
5870.0000 -127.13768 -122.72730 4.41038 2.14753 -123.48136 640.07611
5875.0000 -127.65024 -123.26493 4.38531 2.19583 -122.80852 633.83372
5880.0000 -126.49532 -122.04435 4.45096 2.23074 -122.32215 701.01504
5885.0000 -126.78000 -122.23694 4.54307 2.22345 -122.42376 678.68639
5890.0000 -127.08233 -122.12367 4.95866 2.24145 -122.17290 696.68388
5895.0000 -126.68462 -121.58237 5.10226 2.30530 -121.28336 716.38963
5900.0000 -126.11063 -121.49709 4.61354 2.26486 -121.84682 710.25038
5905.0000 -125.15670 -120.65393 4.50277 2.34058 -120.79190 752.65849
5910.0000 -127.17718 -122.45353 4.72365 2.24521 -122.12052 665.07333
5915.0000 -126.68723 -122.16866 4.51857 2.21501 -122.54125 652.28593
5920.0000 -127.75430 -123.19227 4.56203 2.21742 -122.50768 630.66750
5925.0000 -127.60792 -123.81308 3.79484 2.14859 -123.46667 624.80457
5930.0000 -125.62581 -120.87070 4.75512 2.24020 -122.19034 659.57061
5935.0000 -126.07337 -121.21130 4.86207 2.39002 -120.10315 776.80287
5940.0000 -125.88389 -121.24478 4.63911 2.30132 -121.33880 721.82911
5945.0000 -126.30418 -121.87069 4.43349 2.29578 -121.41598 694.20165
5950.0000 -127.13434 -122.30281 4.83153 2.24022 -122.19005 677.77552
5955.0000 -127.59871 -123.07644 4.52227 2.17495 -123.09936 625.41657
5960.0000 -127.19656 -122.84296 4.35360 2.21314 -122.56734 636.92302
5965.0000 -127.35672 -123.18959 4.16712 2.19790 -122.77962 634.62768
5970.0000 -127.07202 -121.45589 5.61613 2.22799 -122.36047 667.93818
5975.0000 -127.20286 -121.83970 5.36316 2.25094 -122.04068 675.49821
5980.0000 -125.71624 -120.14048 5.57576 2.33608 -120.85455 751.01317
5985.0000 -125.28439 -121.28912 3.99527 2.37289 -120.34171 760.79789
5990.0000 -125.83993 -120.93258 4.90735 2.36541 -120.44599 775.80358
5995.0000 -126.69167 -122.27861 4.41306 2.28435 -121.57520 690.48075
6000.0000 -126.69305 -121.83276 4.86029 2.28343 -121.58804 695.90892
FREEZING PROCESS: loop number 25 T-loop= 671.00000000000000
main_MD> interactions number 25 at Temperature= 671.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73561 0.36541 -0.61948
force_rgl> df(natom) 0.93297 -0.50923 -0.24620
6005.0000 -127.20107 -122.37673 4.82433 2.23618 -122.24630 662.80497
6010.0000 -127.39732 -122.44140 4.95593 2.23428 -122.27284 680.54013
6015.0000 -126.32844 -122.60962 3.71883 2.22332 -122.42557 676.93815
6020.0000 -127.03153 -122.70516 4.32637 2.18528 -122.95551 639.34285
6025.0000 -126.73456 -122.52842 4.20614 2.22345 -122.42370 670.50971
6030.0000 -126.95068 -122.42747 4.52321 2.26718 -121.81443 718.60698
6035.0000 -126.77951 -122.73166 4.04785 2.23620 -122.24613 668.56488
6040.0000 -127.58161 -122.79787 4.78374 2.16489 -123.23951 668.02529
6045.0000 -126.88964 -122.09297 4.79667 2.20306 -122.70770 676.79772
6050.0000 -127.34840 -123.44614 3.90226 2.20607 -122.66586 655.39875
6055.0000 -126.78199 -123.11879 3.66320 2.16166 -123.28449 634.32750
6060.0000 -126.61372 -123.21928 3.39444 2.18686 -122.93340 631.74691
6065.0000 -126.59240 -123.06121 3.53119 2.18871 -122.90768 626.74203
6070.0000 -127.80764 -122.87554 4.93210 2.19172 -122.86575 659.56240
6075.0000 -127.07558 -123.19504 3.88055 2.21695 -122.51421 660.11605
6080.0000 -126.73145 -122.84658 3.88486 2.19620 -122.80328 621.66295
6085.0000 -127.72806 -123.62907 4.09899 2.15806 -123.33475 593.73706
6090.0000 -127.03982 -122.77502 4.26480 2.16294 -123.26665 621.76239
6095.0000 -127.80730 -122.77695 5.03036 2.19014 -122.88783 621.67063
6100.0000 -126.16094 -121.56716 4.59378 2.24487 -122.12530 682.09763
6105.0000 -127.46284 -122.35662 5.10622 2.26468 -121.84923 711.91859
6110.0000 -127.31261 -122.40981 4.90279 2.19476 -122.82336 671.81878
6115.0000 -126.94615 -121.60205 5.34410 2.25863 -121.93364 716.08274
6120.0000 -126.56004 -121.70701 4.85303 2.30282 -121.31797 724.45261
6125.0000 -127.12449 -122.74631 4.37818 2.22394 -122.41688 663.58012
6130.0000 -127.80189 -123.35094 4.45095 2.14751 -123.48167 606.01998
6135.0000 -126.45871 -121.71983 4.73888 2.19142 -122.86998 638.92856
6140.0000 -126.30849 -122.52034 3.78815 2.23743 -122.22886 671.54737
6145.0000 -126.73147 -121.95988 4.77159 2.22968 -122.33687 667.45440
6150.0000 -126.06228 -121.18927 4.87301 2.29548 -121.42018 714.03384
6155.0000 -125.69604 -120.94391 4.75213 2.30454 -121.29402 733.41629
6160.0000 -126.82193 -121.56569 5.25624 2.32457 -121.01495 737.37556
6165.0000 -126.29861 -121.48062 4.81799 2.25573 -121.97395 687.56566
6170.0000 -126.27417 -121.50887 4.76531 2.29042 -121.49066 728.65294
6175.0000 -127.23372 -122.25729 4.97643 2.26081 -121.90323 709.80750
6180.0000 -126.92016 -122.50500 4.41516 2.22391 -122.41725 689.10581
6185.0000 -127.36115 -123.51646 3.84469 2.14980 -123.44974 622.93598
6190.0000 -125.74944 -120.85905 4.89039 2.17660 -123.07643 630.46250
6195.0000 -126.02382 -121.72656 4.29726 2.27071 -121.76523 692.08321
6200.0000 -127.78138 -122.92496 4.85642 2.20392 -122.69577 657.76250
6205.0000 -126.61434 -122.14759 4.46675 2.19872 -122.76822 629.90823
6210.0000 -125.43731 -121.65029 3.78702 2.26499 -121.84503 667.27530
6215.0000 -124.92604 -120.31323 4.61281 2.27424 -121.71605 676.14717
6220.0000 -127.06560 -122.18841 4.87719 2.30541 -121.28182 713.36864
6225.0000 -127.10940 -122.86760 4.24180 2.20006 -122.74956 629.20919
6230.0000 -126.90453 -122.69076 4.21377 2.17600 -123.08475 630.66458
6235.0000 -127.87726 -123.39979 4.47747 2.20357 -122.70072 653.27826
6240.0000 -127.30293 -122.93856 4.36437 2.19869 -122.76862 662.52505
6245.0000 -126.90384 -122.69126 4.21257 2.18554 -122.95180 644.06480
6250.0000 -127.58382 -123.90219 3.68163 2.17265 -123.13148 637.33668
FREEZING PROCESS: loop number 26 T-loop= 646.00000000000000
main_MD> interactions number 26 at Temperature= 646.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27860 -0.65149 1.56353
force_rgl> df(natom) -1.15783 2.65087 -0.97268
6255.0000 -128.27616 -124.46052 3.81564 2.09829 -124.16738 570.21579
6260.0000 -127.30858 -122.86694 4.44163 2.11425 -123.94500 585.61875
6265.0000 -127.03906 -122.58283 4.45622 2.18870 -122.90784 651.44157
6270.0000 -126.94980 -123.11108 3.83872 2.23132 -122.31399 676.33773
6275.0000 -126.85245 -123.17674 3.67571 2.12845 -123.74723 592.57001
6280.0000 -127.12118 -122.86484 4.25634 2.20513 -122.67892 663.62912
6285.0000 -126.42698 -122.13638 4.29060 2.22112 -122.45621 668.56186
6290.0000 -126.40432 -122.14313 4.26119 2.25051 -122.04669 679.03793
6295.0000 -126.99983 -122.59618 4.40365 2.22710 -122.37282 656.65596
6300.0000 -127.14685 -122.48755 4.65930 2.20235 -122.71761 653.86026
6305.0000 -127.78376 -122.91693 4.86684 2.22128 -122.45386 675.77733
6310.0000 -125.96925 -121.84254 4.12671 2.22927 -122.34257 667.99888
6315.0000 -126.40992 -122.36513 4.04479 2.20986 -122.61298 650.20321
6320.0000 -127.73357 -123.02304 4.71053 2.18061 -123.02052 666.42782
6325.0000 -127.73951 -122.88540 4.85411 2.24171 -122.16926 670.43716
6330.0000 -127.37071 -122.99959 4.37112 2.22600 -122.38818 676.80330
6335.0000 -126.69371 -122.26844 4.42527 2.19510 -122.81873 644.95871
6340.0000 -126.68602 -122.01872 4.66730 2.26621 -121.82800 692.46642
6345.0000 -127.39726 -122.27905 5.11821 2.23718 -122.23248 672.59210
6350.0000 -126.80939 -122.62438 4.18501 2.21082 -122.59966 664.13830
6355.0000 -127.36755 -123.14355 4.22400 2.18238 -122.99594 644.24014
6360.0000 -127.18952 -122.35948 4.83003 2.20574 -122.67040 652.01437
6365.0000 -126.45298 -121.52554 4.92744 2.26737 -121.81184 686.39590
6370.0000 -126.85760 -122.38338 4.47422 2.25741 -121.95065 682.87103
6375.0000 -126.61606 -122.25101 4.36505 2.25616 -121.96793 696.77528
6380.0000 -127.49834 -123.42730 4.07104 2.19992 -122.75145 635.06266
6385.0000 -127.89050 -123.60243 4.28807 2.13564 -123.64701 603.20611
6390.0000 -127.03107 -122.78012 4.25095 2.17651 -123.07758 645.99315
6395.0000 -128.11070 -123.73676 4.37394 2.17708 -123.06967 643.99980
6400.0000 -127.04619 -122.57897 4.46722 2.17904 -123.04246 649.87676
6405.0000 -126.58944 -122.30010 4.28934 2.21920 -122.48291 658.04199
6410.0000 -127.93404 -123.02385 4.91019 2.21767 -122.50420 689.02683
6415.0000 -127.94706 -123.46836 4.47871 2.16291 -123.26709 636.96100
6420.0000 -128.61443 -124.98240 3.63202 2.12345 -123.81684 592.74729
6425.0000 -128.07741 -124.12784 3.94957 2.07101 -124.54745 550.65963
6430.0000 -126.53217 -122.94243 3.58974 2.14948 -123.45417 601.41735
6435.0000 -127.20783 -123.22096 3.98686 2.16761 -123.20170 607.73429
6440.0000 -126.36406 -121.81179 4.55227 2.24220 -122.16241 680.75817
6445.0000 -127.07793 -122.52411 4.55382 2.23478 -122.26587 671.17349
6450.0000 -126.93064 -123.27228 3.65836 2.20082 -122.73891 634.28906
6455.0000 -128.21483 -123.56110 4.65372 2.16173 -123.28359 596.56294
6460.0000 -126.82777 -121.97990 4.84787 2.18679 -122.93445 599.56955
6465.0000 -126.03555 -120.79360 5.24195 2.31770 -121.11068 724.28666
6470.0000 -127.03432 -121.50686 5.52746 2.25628 -121.96626 664.04570
6475.0000 -126.07833 -121.60820 4.47013 2.26811 -121.80145 689.17037
6480.0000 -126.30323 -121.76816 4.53506 2.24158 -122.17105 681.55564
6485.0000 -126.40333 -122.85536 3.54798 2.23267 -122.29528 653.07778
6490.0000 -127.67359 -124.25559 3.41801 2.17258 -123.13235 611.78716
6495.0000 -128.04777 -124.33336 3.71442 2.09173 -124.25878 561.87315
6500.0000 -128.00203 -124.48761 3.51441 2.09422 -124.22403 550.98967
FREEZING PROCESS: loop number 27 T-loop= 621.00000000000000
main_MD> interactions number 27 at Temperature= 621.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.27417 3.88409 1.82258
force_rgl> df(natom) 1.18317 5.48719 -3.51425
6505.0000 -127.27506 -123.98674 3.28831 2.09506 -124.21237 576.46381
6510.0000 -127.85967 -124.62851 3.23116 2.10888 -124.01982 577.81789
6515.0000 -128.37884 -123.78836 4.59048 2.07010 -124.56008 555.38386
6520.0000 -127.70208 -123.71299 3.98910 2.12179 -123.84000 559.32301
6525.0000 -127.85803 -124.11545 3.74257 2.09906 -124.15659 561.08715
6530.0000 -127.66218 -123.56931 4.09287 2.16021 -123.30477 629.39485
6535.0000 -127.29578 -123.66921 3.62657 2.10556 -124.06612 591.31683
6540.0000 -128.43863 -124.40712 4.03151 2.09651 -124.19224 583.26748
6545.0000 -128.52607 -123.96241 4.56366 2.09531 -124.20888 592.29551
6550.0000 -126.37692 -122.90690 3.47002 2.16292 -123.26703 646.97153
6555.0000 -128.76301 -124.83093 3.93208 2.11378 -123.95156 600.63684
6560.0000 -128.00406 -123.85428 4.14978 2.09301 -124.24090 592.14670
6565.0000 -126.71857 -122.97326 3.74531 2.13127 -123.70794 608.83201
6570.0000 -127.97165 -124.05019 3.92146 2.14565 -123.50759 607.36107
6575.0000 -128.93818 -125.54316 3.39502 2.09525 -124.20975 602.40896
6580.0000 -128.91813 -125.94865 2.96947 1.97888 -125.83101 495.77878
6585.0000 -127.86663 -124.48150 3.38512 2.02688 -125.16218 554.75182
6590.0000 -128.12445 -124.22603 3.89842 2.10093 -124.13055 594.37734
6595.0000 -128.40178 -123.45359 4.94820 2.11454 -123.94093 582.98092
6600.0000 -128.70886 -124.43437 4.27449 2.13968 -123.59074 604.93712
6605.0000 -127.90285 -124.00220 3.90065 2.09546 -124.20686 581.65709
6610.0000 -127.57189 -124.22864 3.34325 2.15670 -123.35368 618.39875
6615.0000 -126.97037 -122.95693 4.01344 2.15062 -123.43832 600.53669
6620.0000 -126.69128 -122.50023 4.19105 2.19513 -122.81829 639.19147
6625.0000 -127.68901 -123.71615 3.97285 2.18892 -122.90480 624.28409
6630.0000 -127.95827 -124.31938 3.63889 2.14364 -123.53564 588.19093
6635.0000 -127.37761 -123.62719 3.75041 2.14107 -123.57141 616.10971
6640.0000 -128.49424 -124.33356 4.16068 2.10617 -124.05753 580.17670
6645.0000 -127.25894 -123.03564 4.22330 2.11652 -123.91344 598.27786
6650.0000 -127.56091 -122.88089 4.68002 2.17870 -123.04708 643.75718
6655.0000 -127.13508 -121.59538 5.53970 2.24888 -122.06937 695.30112
6660.0000 -125.95414 -121.21400 4.74014 2.29216 -121.46645 704.01768
6665.0000 -126.96285 -122.76267 4.20018 2.26714 -121.81496 711.17336
6670.0000 -127.63102 -123.37570 4.25532 2.16638 -123.21879 629.46319
6675.0000 -127.56015 -123.05620 4.50396 2.16912 -123.18055 622.41552
6680.0000 -126.86976 -122.26387 4.60589 2.24064 -122.18422 656.48086
6685.0000 -128.42805 -123.74296 4.68509 2.17148 -123.14768 636.74850
6690.0000 -128.61687 -124.40055 4.21632 2.08452 -124.35915 591.56064
6695.0000 -127.76853 -124.30351 3.46502 2.11291 -123.96368 567.62334
6700.0000 -128.19460 -124.13403 4.06057 2.12286 -123.82513 575.75870
6705.0000 -127.86111 -123.86056 4.00055 2.13448 -123.66318 593.31057
6710.0000 -128.06571 -123.51413 4.55158 2.11812 -123.89113 583.65699
6715.0000 -128.52736 -124.61159 3.91576 2.10628 -124.05608 579.04203
6720.0000 -128.49086 -124.53128 3.95959 2.05906 -124.71386 528.73509
6725.0000 -127.32633 -123.60351 3.72283 2.11989 -123.86646 606.65793
6730.0000 -127.52828 -122.86199 4.66629 2.16241 -123.27403 639.41159
6735.0000 -127.22663 -122.82119 4.40544 2.20614 -122.66492 663.94826
6740.0000 -128.33271 -123.93141 4.40130 2.16874 -123.18593 620.82051
6745.0000 -126.63149 -124.18092 2.45058 2.07652 -124.47069 555.40139
6750.0000 -127.32385 -123.22224 4.10162 2.10853 -124.02468 581.36684
FREEZING PROCESS: loop number 28 T-loop= 596.00000000000000
main_MD> interactions number 28 at Temperature= 596.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.19037 0.44216 1.16886
force_rgl> df(natom) -4.26775 -0.19211 0.62783
6755.0000 -127.34930 -123.65193 3.69737 2.12676 -123.77069 589.74790
6760.0000 -128.05517 -124.05830 3.99687 2.16059 -123.29947 597.70996
6765.0000 -128.20228 -124.48734 3.71494 2.07140 -124.54204 566.27081
6770.0000 -128.40974 -124.76725 3.64249 2.07918 -124.43356 576.15579
6775.0000 -127.84500 -124.16260 3.68240 2.04956 -124.84628 556.63738
6780.0000 -127.71741 -124.05513 3.66228 2.09356 -124.23334 557.75647
6785.0000 -126.82828 -122.47477 4.35350 2.18164 -123.00620 641.14833
6790.0000 -127.37502 -123.25903 4.11599 2.18295 -122.98795 637.84286
6795.0000 -126.91497 -123.25189 3.66307 2.14909 -123.45965 610.85458
6800.0000 -127.01925 -122.43839 4.58086 2.21168 -122.58763 626.31708
6805.0000 -126.72239 -122.92302 3.79937 2.17721 -123.06791 643.00533
6810.0000 -128.30990 -123.42331 4.88660 2.14839 -123.46941 620.37221
6815.0000 -128.03253 -123.37729 4.65524 2.17596 -123.08525 631.30394
6820.0000 -127.80559 -122.64730 5.15829 2.20146 -122.73006 647.38683
6825.0000 -127.20815 -123.25306 3.95509 2.18664 -122.93646 661.18901
6830.0000 -128.30716 -123.78179 4.52538 2.13190 -123.69911 598.26010
6835.0000 -128.32587 -123.84366 4.48221 2.12146 -123.84460 570.48946
6840.0000 -128.14457 -123.89164 4.25293 2.13105 -123.71095 604.85586
6845.0000 -127.63102 -124.02084 3.61017 2.10661 -124.05149 579.22971
6850.0000 -128.00232 -124.41218 3.59014 2.07194 -124.53455 546.94117
6855.0000 -128.23782 -123.72916 4.50866 2.14865 -123.46582 613.48357
6860.0000 -127.96490 -124.10818 3.85672 2.13749 -123.62120 611.27532
6865.0000 -128.93721 -124.79304 4.14418 2.08852 -124.30343 589.74696
6870.0000 -129.40482 -125.26702 4.13780 2.04570 -124.90008 589.92597
6875.0000 -128.71056 -124.97360 3.73696 2.02985 -125.12091 545.96704
6880.0000 -129.28288 -124.75988 4.52300 2.03403 -125.06258 551.84722
6885.0000 -129.22712 -125.15721 4.06991 2.04631 -124.89158 580.59908
6890.0000 -129.68574 -125.95528 3.73046 1.99615 -125.59036 576.39968
6895.0000 -130.03735 -126.34567 3.69168 1.94197 -126.34519 518.80486
6900.0000 -129.10459 -125.73875 3.36584 1.99654 -125.58486 566.59167
6905.0000 -128.78458 -124.72378 4.06079 2.05515 -124.76837 606.16165
6910.0000 -128.58722 -124.32717 4.26005 2.05249 -124.80546 575.96614
6915.0000 -127.25996 -123.18806 4.07190 2.11680 -123.90951 566.58981
6920.0000 -127.64263 -123.64920 3.99344 2.14452 -123.52330 613.33296
6925.0000 -127.86233 -123.50699 4.35534 2.11382 -123.95103 577.03749
6930.0000 -127.91417 -123.66076 4.25341 2.13588 -123.64372 628.99793
6935.0000 -127.68131 -123.60884 4.07247 2.11277 -123.96560 596.49963
6940.0000 -128.83417 -125.02424 3.80993 2.08824 -124.30741 563.65947
6945.0000 -128.06681 -124.16301 3.90381 2.09800 -124.17138 590.27375
6950.0000 -127.31839 -123.41112 3.90727 2.12441 -123.80354 604.31029
6955.0000 -126.80730 -122.98832 3.81898 2.16176 -123.28308 609.85509
6960.0000 -127.83701 -122.79512 5.04188 2.16784 -123.19843 592.59110
6965.0000 -127.22029 -123.10406 4.11623 2.23724 -122.23160 693.97827
6970.0000 -126.75482 -122.37447 4.38035 2.16939 -123.17681 629.78977
6975.0000 -126.87923 -122.87814 4.00110 2.21088 -122.59879 672.51818
6980.0000 -127.99580 -124.76083 3.23497 2.11828 -123.88892 592.37741
6985.0000 -127.56283 -124.00154 3.56128 2.09944 -124.15140 576.55856
6990.0000 -127.87977 -123.81028 4.06949 2.12282 -123.82562 595.04405
6995.0000 -127.39218 -122.91880 4.47339 2.16661 -123.21560 617.84846
7000.0000 -128.20664 -123.79035 4.41629 2.17063 -123.15954 643.57292
FREEZING PROCESS: loop number 29 T-loop= 571.00000000000000
main_MD> interactions number 29 at Temperature= 571.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.54195 -0.21221 -2.45373
force_rgl> df(natom) -2.67137 1.17377 1.44850
7005.0000 -127.91551 -124.48115 3.43436 2.10152 -124.12232 560.74866
7010.0000 -127.43960 -123.88263 3.55698 2.08377 -124.36963 559.34065
7015.0000 -128.57237 -124.48453 4.08784 2.09007 -124.28193 582.65449
7020.0000 -127.55455 -124.07837 3.47617 2.07415 -124.50375 549.45512
7025.0000 -128.82220 -125.17439 3.64781 2.05334 -124.79363 543.88043
7030.0000 -129.05893 -124.98413 4.07480 2.02604 -125.17391 543.78794
7035.0000 -127.09220 -123.54530 3.54690 2.04567 -124.90046 538.84054
7040.0000 -127.71034 -123.62188 4.08846 2.15629 -123.35938 610.06366
7045.0000 -128.01691 -124.77932 3.23759 2.09394 -124.22792 567.53256
7050.0000 -129.10736 -125.18247 3.92489 2.06952 -124.56821 521.58942
7055.0000 -127.93081 -123.77429 4.15651 2.07431 -124.50142 535.40368
7060.0000 -127.46459 -123.47089 3.99370 2.13922 -123.59721 595.79926
7065.0000 -127.20810 -123.22665 3.98145 2.15615 -123.36134 609.82766
7070.0000 -128.21631 -123.19406 5.02224 2.16587 -123.22582 644.64962
7075.0000 -127.35707 -123.58454 3.77253 2.16306 -123.26497 634.94790
7080.0000 -127.01297 -122.94175 4.07122 2.12892 -123.74072 584.86671
7085.0000 -127.38120 -122.90333 4.47786 2.16714 -123.20813 633.90005
7090.0000 -127.58666 -123.36050 4.22616 2.15045 -123.44074 586.90311
7095.0000 -127.64657 -123.88909 3.75749 2.13747 -123.62160 590.28124
7100.0000 -127.92855 -125.07028 2.85828 2.09162 -124.26030 569.78123
7105.0000 -128.78519 -125.37300 3.41219 2.04188 -124.95330 527.51722
7110.0000 -128.78608 -125.03728 3.74879 2.06379 -124.64808 571.77406
7115.0000 -129.56707 -125.99447 3.57260 2.00235 -125.50402 519.79336
7120.0000 -127.97162 -124.47378 3.49784 2.02714 -125.15861 549.56034
7125.0000 -128.50971 -124.67331 3.83639 2.07732 -124.45946 586.49090
7130.0000 -128.38844 -123.80476 4.58368 2.07932 -124.43164 574.92774
7135.0000 -128.39072 -125.02539 3.36533 2.08118 -124.40577 596.00177
7140.0000 -128.99985 -125.67668 3.32318 1.99027 -125.67230 491.54136
7145.0000 -127.74302 -123.45527 4.28775 2.09519 -124.21061 562.46044
7150.0000 -128.41864 -124.58903 3.82961 2.13286 -123.68582 624.48425
7155.0000 -128.47482 -124.85888 3.61594 2.03782 -125.00984 540.49751
7160.0000 -128.27207 -124.58410 3.68797 2.08165 -124.39922 565.71490
7165.0000 -128.41462 -124.86151 3.55311 2.05706 -124.74179 552.38434
7170.0000 -128.64235 -124.86423 3.77812 2.09556 -124.20539 589.52713
7175.0000 -128.19800 -123.76338 4.43462 2.08270 -124.38463 559.66937
7180.0000 -128.49250 -124.63575 3.85675 2.11987 -123.86671 598.30958
7185.0000 -127.57121 -124.22235 3.34886 2.08340 -124.37476 556.36154
7190.0000 -127.94852 -124.44024 3.50828 2.10270 -124.10592 573.21914
7195.0000 -128.51993 -124.69003 3.82990 2.08667 -124.32932 577.19966
7200.0000 -127.03094 -123.48026 3.55068 2.08294 -124.38118 593.49007
7205.0000 -127.80721 -123.64419 4.16302 2.13902 -123.60001 621.53346
7210.0000 -129.06421 -125.19114 3.87307 2.07020 -124.55866 551.57391
7215.0000 -128.53569 -124.66054 3.87515 2.04804 -124.86745 532.54054
7220.0000 -128.18726 -124.22718 3.96008 2.09027 -124.27916 580.39843
7225.0000 -127.82787 -123.86131 3.96656 2.12552 -123.78804 578.08099
7230.0000 -128.16040 -124.70814 3.45226 2.12353 -123.81571 552.79516
7235.0000 -128.67733 -125.32135 3.35599 2.05452 -124.77717 532.11517
7240.0000 -127.69651 -123.71176 3.98475 2.06966 -124.56622 546.71904
7245.0000 -127.87765 -124.75885 3.11880 2.11043 -123.99825 583.52499
7250.0000 -127.61507 -124.42879 3.18628 2.07152 -124.54029 543.00434
FREEZING PROCESS: loop number 30 T-loop= 546.00000000000000
main_MD> interactions number 30 at Temperature= 546.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.35333 1.70660 -4.10638
force_rgl> df(natom) -1.98109 0.81526 -0.45349
7255.0000 -127.80412 -123.98544 3.81868 2.07717 -124.46157 555.78388
7260.0000 -127.83329 -123.64170 4.19159 2.11821 -123.88988 563.62771
7265.0000 -127.18440 -122.63590 4.54850 2.15298 -123.40546 591.04017
7270.0000 -127.76602 -123.50753 4.25849 2.17001 -123.16820 599.44243
7275.0000 -127.49336 -123.66158 3.83177 2.16001 -123.30759 621.39749
7280.0000 -127.37427 -124.07168 3.30259 2.10900 -124.01818 570.40086
7285.0000 -127.33355 -123.81870 3.51485 2.10592 -124.06115 545.73434
7290.0000 -127.67047 -124.56176 3.10871 2.06166 -124.67775 535.23765
7295.0000 -129.04410 -124.98807 4.05603 2.04160 -124.95722 546.57642
7300.0000 -129.14418 -125.32237 3.82181 2.02606 -125.17362 556.75919
7305.0000 -129.19855 -125.44555 3.75300 2.04410 -124.92237 576.58190
7310.0000 -128.94203 -124.72292 4.21912 2.07038 -124.55624 598.00842
7315.0000 -128.48533 -125.14790 3.33743 2.04115 -124.96342 554.94405
7320.0000 -129.67189 -126.50718 3.16471 1.97394 -125.89974 510.70035
7325.0000 -129.37419 -125.93484 3.43935 1.99064 -125.66715 533.51279
7330.0000 -129.54526 -126.03604 3.50922 1.94508 -126.30178 481.79407
7335.0000 -129.02380 -125.49876 3.52504 2.00845 -125.41902 541.40256
7340.0000 -128.26490 -124.56900 3.69590 2.05089 -124.82776 576.93229
7345.0000 -128.98342 -125.86156 3.12186 2.03309 -125.07578 533.24759
7350.0000 -128.89615 -125.85729 3.03887 1.99035 -125.67113 496.80114
7355.0000 -130.04877 -126.72835 3.32041 1.98724 -125.71444 496.81893
7360.0000 -128.40512 -124.83702 3.56810 1.99128 -125.65825 511.23956
7365.0000 -128.92326 -125.28064 3.64262 2.03658 -125.02716 518.01608
7370.0000 -128.40444 -124.94402 3.46042 1.99127 -125.65841 507.16186
7375.0000 -128.22156 -123.77292 4.44864 2.04398 -124.92399 529.20058
7380.0000 -129.12638 -125.33765 3.78873 2.07341 -124.51401 556.93762
7385.0000 -127.63863 -124.00148 3.63714 2.03946 -124.98697 526.88025
7390.0000 -127.56729 -123.96403 3.60326 2.13731 -123.62379 608.52772
7395.0000 -128.23543 -124.82741 3.40802 2.08329 -124.37633 551.76388
7400.0000 -128.63193 -124.94981 3.68212 2.06437 -124.63997 537.18361
7405.0000 -127.90229 -123.79674 4.10554 2.09947 -124.15096 560.12672
7410.0000 -127.67360 -123.50214 4.17146 2.18194 -123.00198 625.57489
7415.0000 -127.81442 -124.18471 3.62971 2.14680 -123.49150 590.58916
7420.0000 -128.58229 -124.33951 4.24278 2.05681 -124.74531 520.98671
7425.0000 -128.18316 -124.74058 3.44258 2.09065 -124.27387 594.17468
7430.0000 -127.42325 -123.90546 3.51779 2.09416 -124.22496 587.79320
7435.0000 -127.94033 -124.22927 3.71106 2.06470 -124.63538 578.34035
7440.0000 -128.36969 -124.34738 4.02231 2.11302 -123.96215 618.89508
7445.0000 -127.39829 -124.22212 3.17617 2.10250 -124.10870 583.09749
7450.0000 -128.56344 -125.46711 3.09633 2.09337 -124.23592 556.09607
7455.0000 -128.37375 -125.08589 3.28786 2.02187 -125.23200 500.94072
7460.0000 -128.45668 -125.51953 2.93715 2.00596 -125.45370 483.49018
7465.0000 -127.59420 -124.58338 3.01082 2.04515 -124.90767 504.51419
7470.0000 -128.45892 -124.78435 3.67457 2.06661 -124.60874 532.77011
7475.0000 -129.11147 -125.77834 3.33313 2.00411 -125.47941 497.15384
7480.0000 -127.98116 -124.29819 3.68297 2.05034 -124.83535 531.89766
7485.0000 -127.72707 -123.69054 4.03653 2.12790 -123.75484 593.80040
7490.0000 -128.00218 -124.48146 3.52073 2.06461 -124.63661 546.91328
7495.0000 -128.51847 -124.21357 4.30489 2.08110 -124.40693 563.11107
7500.0000 -129.22889 -125.72323 3.50566 2.04371 -124.92779 562.60785
FREEZING PROCESS: loop number 31 T-loop= 521.00000000000000
main_MD> interactions number 31 at Temperature= 521.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.41716 -0.05690 2.08900
force_rgl> df(natom) -0.73121 1.46363 -1.93894
7505.0000 -128.73589 -125.64986 3.08603 2.02143 -125.23812 537.21459
7510.0000 -128.39231 -125.03923 3.35308 2.04204 -124.95101 539.20096
7515.0000 -128.27267 -124.01844 4.25422 2.05670 -124.74686 553.32857
7520.0000 -128.43427 -125.12554 3.30873 2.07238 -124.52840 535.91724
7525.0000 -127.95613 -124.61445 3.34168 2.08252 -124.38710 537.46956
7530.0000 -128.54648 -124.34668 4.19981 2.06043 -124.69483 534.47261
7535.0000 -128.45548 -125.16952 3.28596 2.04590 -124.89725 520.16857
7540.0000 -127.60607 -123.87878 3.72729 2.05659 -124.74826 521.78512
7545.0000 -128.03697 -124.75121 3.28576 2.08488 -124.35421 560.65372
7550.0000 -128.74271 -124.27626 4.46645 2.05865 -124.71958 557.23066
7555.0000 -128.41153 -124.63447 3.77706 2.08404 -124.36589 576.72789
7560.0000 -127.88926 -124.93260 2.95666 2.05238 -124.80693 512.38988
7565.0000 -128.99918 -125.23277 3.76642 2.04697 -124.88230 523.42589
7570.0000 -128.33103 -125.48462 2.84641 2.01340 -125.35010 495.13418
7575.0000 -128.76720 -125.43338 3.33382 2.00704 -125.43869 497.01075
7580.0000 -128.53775 -124.92975 3.60800 2.06032 -124.69641 534.57322
7585.0000 -128.85696 -125.76129 3.09567 2.00639 -125.44772 509.16129
7590.0000 -128.93984 -124.94829 3.99156 1.99699 -125.57862 508.06480
7595.0000 -127.59182 -124.54145 3.05037 2.08373 -124.37017 579.68459
7600.0000 -129.05982 -124.71012 4.34970 2.04014 -124.97756 547.89921
7605.0000 -128.70703 -125.05772 3.64931 2.06859 -124.58120 561.75819
7610.0000 -129.30588 -125.42767 3.87822 2.05466 -124.77518 548.82239
7615.0000 -129.06116 -125.94514 3.11602 1.99644 -125.58632 494.71936
7620.0000 -128.78791 -125.91290 2.87501 1.96850 -125.97561 474.08029
7625.0000 -128.62183 -124.93588 3.68595 2.01338 -125.35035 505.33839
7630.0000 -128.89620 -125.37775 3.51845 2.03329 -125.07289 516.72146
7635.0000 -128.67990 -125.67246 3.00744 2.02084 -125.24642 529.75269
7640.0000 -129.00110 -125.29087 3.71023 2.03831 -125.00297 533.58483
7645.0000 -128.98230 -125.47553 3.50677 1.99887 -125.55245 492.38435
7650.0000 -129.08757 -125.63000 3.45757 2.01749 -125.29301 499.11527
7655.0000 -129.31904 -126.44987 2.86917 1.98170 -125.79170 452.89697
7660.0000 -128.84954 -125.65807 3.19147 1.97171 -125.93087 465.06500
7665.0000 -128.68298 -125.12624 3.55675 1.99468 -125.61081 509.16162
7670.0000 -128.40429 -125.12784 3.27645 2.01884 -125.27425 512.62288
7675.0000 -128.46918 -124.97249 3.49669 2.04330 -124.93350 517.42952
7680.0000 -128.23821 -124.72050 3.51771 2.01386 -125.34361 527.25027
7685.0000 -128.21998 -125.22427 2.99572 2.01788 -125.28766 522.74477
7690.0000 -127.67469 -124.50205 3.17264 2.04007 -124.97842 508.13553
7695.0000 -128.27423 -124.46586 3.80838 2.04841 -124.86230 532.71112
7700.0000 -128.74584 -125.30485 3.44100 2.04998 -124.84040 537.87773
7705.0000 -128.57719 -125.41101 3.16618 1.98430 -125.75539 464.17737
7710.0000 -129.15833 -125.98373 3.17461 1.97464 -125.89003 462.56719
7715.0000 -128.47221 -124.92880 3.54341 2.00740 -125.43365 519.22139
7720.0000 -128.62039 -125.55977 3.06062 2.02272 -125.22015 526.52272
7725.0000 -127.93288 -123.99687 3.93601 2.03711 -125.01975 509.04609
7730.0000 -128.34950 -123.68806 4.66144 2.13881 -123.60283 626.39095
7735.0000 -128.76244 -124.93114 3.83130 2.04533 -124.90517 548.72536
7740.0000 -129.41443 -125.88332 3.53111 2.01924 -125.26870 523.70176
7745.0000 -127.72832 -124.37180 3.35651 2.04909 -124.85277 550.72624
7750.0000 -128.22233 -124.22477 3.99755 2.12266 -123.82791 606.23293
FREEZING PROCESS: loop number 32 T-loop= 496.00000000000000
main_MD> interactions number 32 at Temperature= 496.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34404 0.19468 0.77329
force_rgl> df(natom) -1.08041 3.52365 1.70731
7755.0000 -128.79126 -125.35030 3.44096 2.07068 -124.55198 544.47591
7760.0000 -128.86513 -125.64888 3.21625 2.00345 -125.48861 498.47131
7765.0000 -129.12155 -125.59049 3.53105 2.00360 -125.48653 504.40787
7770.0000 -129.29346 -126.61268 2.68078 1.96425 -126.03480 467.84520
7775.0000 -129.37200 -125.59253 3.77946 1.93695 -126.41508 462.90145
7780.0000 -129.60078 -125.55526 4.04552 2.01791 -125.28716 544.83664
7785.0000 -129.11869 -125.39550 3.72319 2.00921 -125.40841 539.10560
7790.0000 -129.81547 -126.78138 3.03409 1.94960 -126.23882 467.15797
7795.0000 -129.23374 -126.04942 3.18432 1.92414 -126.59359 455.38739
7800.0000 -128.28670 -125.08795 3.19875 1.99753 -125.57108 521.34761
7805.0000 -128.88062 -124.68890 4.19173 2.03012 -125.11711 555.84335
7810.0000 -129.00973 -125.09174 3.91800 2.02937 -125.12756 565.97375
7815.0000 -129.34260 -126.07287 3.26973 2.01224 -125.36616 571.28441
7820.0000 -129.98563 -125.65555 4.33008 1.98990 -125.67739 557.30375
7825.0000 -129.74270 -126.03704 3.70566 2.00336 -125.48993 569.39681
7830.0000 -130.35544 -126.28522 4.07022 1.93770 -126.40461 522.45001
7835.0000 -130.04014 -126.04893 3.99120 1.95786 -126.12382 534.69922
7840.0000 -130.15934 -126.91914 3.24020 1.92414 -126.59360 501.12436
7845.0000 -129.98434 -127.01430 2.97004 1.89429 -127.00945 476.53351
7850.0000 -130.28560 -126.69123 3.59438 1.91167 -126.76730 485.34608
7855.0000 -129.98533 -126.50853 3.47681 1.90945 -126.79824 486.28308
7860.0000 -130.12874 -127.15399 2.97475 1.90337 -126.88299 487.60048
7865.0000 -130.75165 -127.70347 3.04818 1.85527 -127.55305 446.41770
7870.0000 -131.02010 -127.26631 3.75380 1.85989 -127.48865 451.77015
7875.0000 -130.61049 -126.95394 3.65655 1.85610 -127.54144 450.52798
7880.0000 -129.61412 -126.72885 2.88527 1.90080 -126.91868 486.11711
7885.0000 -129.77912 -126.03607 3.74306 1.96062 -126.08532 539.85866
7890.0000 -129.51348 -126.59655 2.91693 1.91219 -126.76002 488.88725
7895.0000 -130.68778 -126.90823 3.77956 1.92843 -126.53377 508.37863
7900.0000 -130.76951 -128.11236 2.65715 1.84750 -127.66126 444.68453
7905.0000 -130.65880 -127.53011 3.12868 1.84481 -127.69870 435.92622
7910.0000 -130.05370 -127.23772 2.81598 1.88766 -127.10183 471.93454
7915.0000 -129.89351 -126.65970 3.23381 1.89729 -126.96760 487.45861
7920.0000 -130.24163 -126.30368 3.93795 1.94054 -126.36513 524.17363
7925.0000 -130.03652 -126.44803 3.58849 1.93654 -126.42087 497.41192
7930.0000 -130.08667 -126.49639 3.59028 1.93937 -126.38133 519.60561
7935.0000 -130.33399 -126.41994 3.91405 1.96085 -126.08217 541.71962
7940.0000 -129.89813 -126.99879 2.89934 1.92308 -126.60835 513.73060
7945.0000 -130.92135 -127.32626 3.59509 1.85898 -127.50141 449.11301
7950.0000 -130.56328 -127.62277 2.94051 1.87772 -127.24025 459.09495
7955.0000 -130.94989 -127.32346 3.62644 1.86817 -127.37333 452.65811
7960.0000 -130.74173 -128.13556 2.60617 1.81388 -128.12969 405.14271
7965.0000 -130.28337 -127.55799 2.72539 1.81851 -128.06519 415.75117
7970.0000 -130.65301 -127.45565 3.19737 1.85225 -127.59515 442.09245
7975.0000 -129.01540 -125.99663 3.01877 1.93829 -126.39639 513.96675
7980.0000 -129.39549 -126.65391 2.74158 1.93657 -126.42038 513.88131
7985.0000 -129.68412 -126.39042 3.29370 1.92895 -126.52661 506.96998
7990.0000 -129.21928 -125.84403 3.37524 1.95239 -126.19994 531.94511
7995.0000 -128.91312 -125.55916 3.35397 1.99399 -125.62042 523.99622
8000.0000 -128.98358 -124.92783 4.05575 2.03433 -125.05841 552.08367
FREEZING PROCESS: loop number 33 T-loop= 471.00000000000000
main_MD> interactions number 33 at Temperature= 471.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68232 -0.55576 3.86874
force_rgl> df(natom) -0.62238 0.95291 -3.51961
8005.0000 -129.64290 -126.40156 3.24134 1.99437 -125.61518 536.70846
8010.0000 -129.20509 -125.72640 3.47869 1.95329 -126.18745 483.58893
8015.0000 -128.03258 -124.72101 3.31157 2.01908 -125.27090 503.62304
8020.0000 -128.92497 -125.73031 3.19465 2.02061 -125.24954 484.13536
8025.0000 -129.25573 -125.87287 3.38286 1.97804 -125.84273 481.54565
8030.0000 -129.35636 -126.67664 2.67971 1.94677 -126.27836 448.45470
8035.0000 -129.61506 -126.25598 3.35907 1.92490 -126.58305 447.51710
8040.0000 -129.24310 -126.62779 2.61531 1.94847 -126.25466 478.91646
8045.0000 -129.30336 -126.25125 3.05212 1.93620 -126.42552 451.52205
8050.0000 -129.47224 -126.74601 2.72623 1.94422 -126.31384 463.68475
8055.0000 -129.40811 -126.64937 2.75874 1.91241 -126.75696 428.34137
8060.0000 -130.06624 -126.39577 3.67047 1.91717 -126.69063 444.30524
8065.0000 -129.69537 -126.46798 3.22739 1.98121 -125.79843 496.00103
8070.0000 -129.29261 -126.26906 3.02355 1.93289 -126.47173 445.40478
8075.0000 -128.83946 -126.15016 2.68930 1.94326 -126.32717 440.81023
8080.0000 -129.05051 -126.07231 2.97821 1.93093 -126.49892 455.76322
8085.0000 -129.35926 -126.49734 2.86193 1.92941 -126.52022 466.78011
8090.0000 -129.06010 -126.22885 2.83125 1.98025 -125.81185 481.49719
8095.0000 -129.75688 -126.35341 3.40347 1.93138 -126.49276 429.74478
8100.0000 -128.95014 -126.39651 2.55363 1.95056 -126.22554 447.54441
8105.0000 -130.05225 -127.30233 2.74993 1.93117 -126.49566 461.73256
8110.0000 -130.15376 -127.37492 2.77884 1.88035 -127.20370 470.41693
8115.0000 -130.42174 -126.72144 3.70030 1.90002 -126.92958 481.83249
8120.0000 -129.66238 -126.61377 3.04862 1.92680 -126.55651 516.25509
8125.0000 -130.74226 -127.92181 2.82045 1.85195 -127.59925 444.67321
8130.0000 -130.24061 -127.33531 2.90530 1.85662 -127.53421 454.53243
8135.0000 -131.21493 -127.73183 3.48310 1.86078 -127.47628 458.54806
8140.0000 -130.28200 -127.30306 2.97894 1.85647 -127.53637 452.25032
8145.0000 -130.23655 -127.67802 2.55853 1.87226 -127.31634 466.60145
8150.0000 -131.01867 -127.45290 3.56577 1.85308 -127.58355 446.92530
8155.0000 -130.18664 -126.87968 3.30696 1.86962 -127.35312 452.35268
8160.0000 -130.19857 -126.89475 3.30382 1.92178 -126.62640 509.64034
8165.0000 -130.26814 -127.09857 3.16957 1.91099 -126.77676 495.50225
8170.0000 -130.27273 -127.08121 3.19152 1.87818 -127.23383 471.89934
8175.0000 -130.53837 -127.48877 3.04960 1.88880 -127.08593 475.03212
8180.0000 -131.10773 -127.86063 3.24710 1.82193 -128.01750 418.04886
8185.0000 -130.42769 -127.50715 2.92054 1.82154 -128.02293 419.80462
8190.0000 -130.34320 -126.86350 3.47970 1.87656 -127.25641 477.64655
8195.0000 -130.65626 -127.43422 3.22205 1.91880 -126.66795 512.33564
8200.0000 -130.05872 -126.61599 3.44273 1.89822 -126.95474 481.18268
8205.0000 -130.13058 -127.23292 2.89766 1.92486 -126.58359 503.68589
8210.0000 -130.93504 -128.09197 2.84307 1.84748 -127.66153 441.05930
8215.0000 -130.67807 -128.06065 2.61742 1.81832 -128.06780 419.55786
8220.0000 -130.30263 -126.91407 3.38856 1.89064 -127.06034 489.29229
8225.0000 -129.19400 -126.12389 3.07011 1.93055 -126.50424 506.30634
8230.0000 -129.69399 -126.72506 2.96893 1.95481 -126.16632 535.98073
8235.0000 -130.33848 -126.99868 3.33979 1.91618 -126.70450 507.68611
8240.0000 -130.22852 -127.18974 3.03878 1.91447 -126.72829 501.73229
8245.0000 -130.44934 -126.77901 3.67033 1.89463 -127.00468 490.71935
8250.0000 -130.75830 -127.77526 2.98304 1.88818 -127.09450 486.28984
FREEZING PROCESS: loop number 34 T-loop= 446.00000000000000
main_MD> interactions number 34 at Temperature= 446.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.78801 1.17826 0.34569
force_rgl> df(natom) -0.38731 -0.75526 -0.68590
8255.0000 -131.21807 -127.62230 3.59576 1.85735 -127.52412 452.39928
8260.0000 -130.03882 -127.48234 2.55648 1.82791 -127.93425 421.04071
8265.0000 -130.45112 -127.06494 3.38618 1.87665 -127.25514 463.73064
8270.0000 -130.19730 -127.04195 3.15535 1.88417 -127.15039 474.41555
8275.0000 -130.42743 -127.37234 3.05509 1.89537 -126.99438 483.79930
8280.0000 -130.76108 -127.49386 3.26722 1.87139 -127.32841 459.44541
8285.0000 -130.03052 -127.70759 2.32293 1.86066 -127.47799 452.62579
8290.0000 -130.14152 -126.91602 3.22550 1.85625 -127.53943 445.73395
8295.0000 -130.13746 -126.73066 3.40679 1.89886 -126.94580 483.55227
8300.0000 -130.49547 -127.29038 3.20508 1.87492 -127.27934 474.48234
8305.0000 -130.29040 -127.01252 3.27788 1.87538 -127.27284 468.17942
8310.0000 -130.19958 -127.19774 3.00185 1.88666 -127.11571 475.84469
8315.0000 -130.51869 -127.65853 2.86017 1.85056 -127.61867 442.63390
8320.0000 -130.57106 -127.53347 3.03759 1.85678 -127.53202 446.33252
8325.0000 -130.73917 -127.44402 3.29516 1.83322 -127.86030 426.36536
8330.0000 -130.63866 -126.92259 3.71607 1.86787 -127.37752 463.82556
8335.0000 -131.37772 -128.16760 3.21012 1.86949 -127.35494 463.77192
8340.0000 -131.51332 -128.64444 2.86888 1.78440 -128.54034 383.47115
8345.0000 -131.12847 -128.12590 3.00257 1.79779 -128.35378 396.86469
8350.0000 -130.76035 -128.23457 2.52578 1.81061 -128.17517 407.21866
8355.0000 -131.15598 -128.40580 2.75018 1.81427 -128.12426 412.12227
8360.0000 -130.54167 -127.70845 2.83322 1.85785 -127.51707 439.29199
8365.0000 -130.68600 -127.91969 2.76632 1.83055 -127.89748 421.06353
8370.0000 -131.14266 -127.65142 3.49124 1.86344 -127.43922 452.79049
8375.0000 -130.80622 -127.67954 3.12667 1.84329 -127.71995 427.74446
8380.0000 -129.88684 -126.57845 3.30839 1.88429 -127.14872 477.90290
8385.0000 -130.28093 -127.17287 3.10806 1.90582 -126.84882 491.01470
8390.0000 -130.46149 -127.51766 2.94383 1.88146 -127.18817 479.63452
8395.0000 -130.44587 -127.54313 2.90273 1.84958 -127.63232 445.21564
8400.0000 -131.21579 -128.37097 2.84482 1.81129 -128.16580 420.97229
8405.0000 -130.35757 -127.25560 3.10196 1.86477 -127.42075 462.12401
8410.0000 -130.18110 -126.88149 3.29961 1.89349 -127.02053 482.52016
8415.0000 -130.51561 -127.32471 3.19090 1.87446 -127.28571 466.14368
8420.0000 -129.80623 -126.55320 3.25303 1.90316 -126.88590 492.27902
8425.0000 -130.81437 -127.71436 3.10002 1.89132 -127.05083 483.31937
8430.0000 -130.36513 -127.49300 2.87213 1.84803 -127.65389 444.73098
8435.0000 -131.05178 -127.56564 3.48615 1.87139 -127.32843 464.80843
8440.0000 -130.24468 -127.06854 3.17615 1.86113 -127.47136 453.11558
8445.0000 -130.52453 -127.41142 3.11311 1.84777 -127.65747 443.86705
8450.0000 -130.18163 -127.44108 2.74055 1.83831 -127.78937 435.89973
8455.0000 -130.62459 -127.88961 2.73498 1.86074 -127.47685 460.06754
8460.0000 -130.14129 -127.06388 3.07741 1.85722 -127.52586 436.16022
8465.0000 -130.69723 -127.64650 3.05073 1.84945 -127.63416 444.32768
8470.0000 -130.57056 -127.90161 2.66895 1.84790 -127.65577 444.99892
8475.0000 -131.16659 -128.06218 3.10441 1.82391 -127.99001 424.38262
8480.0000 -130.88595 -128.27818 2.60777 1.80757 -128.21758 403.49969
8485.0000 -131.25965 -129.01483 2.24482 1.79793 -128.35190 405.51681
8490.0000 -131.40914 -128.31252 3.09662 1.78068 -128.59226 380.19239
8495.0000 -131.20953 -128.40880 2.80073 1.82998 -127.90543 426.70338
8500.0000 -131.11777 -128.45835 2.65941 1.79485 -128.39484 397.32433
FREEZING PROCESS: loop number 35 T-loop= 421.00000000000000
main_MD> interactions number 35 at Temperature= 421.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09129 1.38901 -0.85264
force_rgl> df(natom) -0.15395 -0.30859 -0.36692
8505.0000 -130.90076 -127.63982 3.26094 1.82859 -127.92474 427.01389
8510.0000 -130.48935 -127.13978 3.34957 1.84051 -127.75869 434.99591
8515.0000 -130.51030 -127.31847 3.19184 1.86608 -127.40248 458.33987
8520.0000 -130.89769 -127.98203 2.91567 1.84045 -127.75952 437.00662
8525.0000 -130.68316 -127.96765 2.71551 1.81139 -128.16436 412.27122
8530.0000 -130.78575 -127.99130 2.79446 1.84054 -127.75827 433.91019
8535.0000 -130.92638 -128.49043 2.43595 1.81932 -128.05395 421.27639
8540.0000 -130.63729 -128.30961 2.32768 1.80379 -128.27019 398.36225
8545.0000 -130.55640 -127.83591 2.72049 1.81669 -128.09058 419.08865
8550.0000 -130.15459 -127.04317 3.11142 1.85769 -127.51933 455.70685
8555.0000 -130.79014 -127.66050 3.12964 1.85186 -127.60056 446.08717
8560.0000 -130.92274 -127.95611 2.96663 1.82667 -127.95150 421.84138
8565.0000 -130.63311 -128.18342 2.44969 1.82239 -128.01112 416.49878
8570.0000 -130.62879 -127.79082 2.83797 1.82543 -127.96876 422.57010
8575.0000 -130.34209 -127.55841 2.78368 1.85539 -127.55133 447.09417
8580.0000 -131.35431 -127.84051 3.51381 1.83710 -127.80614 433.75986
8585.0000 -131.16987 -127.99173 3.17814 1.81549 -128.10724 417.36558
8590.0000 -130.66026 -127.75219 2.90807 1.84353 -127.71666 443.57233
8595.0000 -130.52074 -127.61393 2.90680 1.84136 -127.74686 435.79786
8600.0000 -131.60426 -128.73296 2.87130 1.82445 -127.98239 417.19577
8605.0000 -130.75954 -128.09436 2.66518 1.78646 -128.51169 383.41185
8610.0000 -131.09575 -127.94195 3.15380 1.81173 -128.15968 410.92643
8615.0000 -130.76193 -128.16687 2.59506 1.83600 -127.82145 430.44354
8620.0000 -131.18140 -128.37700 2.80441 1.80956 -128.18990 405.59344
8625.0000 -131.15759 -128.50274 2.65485 1.78640 -128.51257 385.93879
8630.0000 -130.52951 -127.45623 3.07328 1.84675 -127.67174 440.16882
8635.0000 -131.14813 -128.53433 2.61380 1.83774 -127.79731 440.66255
8640.0000 -131.81776 -129.09455 2.72321 1.76372 -128.82845 367.92580
8645.0000 -131.71006 -129.29347 2.41659 1.74852 -129.04024 345.59835
8650.0000 -130.86821 -128.48669 2.38152 1.76011 -128.87877 361.54303
8655.0000 -130.81674 -127.94698 2.86977 1.81694 -128.08700 408.57450
8660.0000 -131.19233 -128.34450 2.84784 1.80939 -128.19226 407.15822
8665.0000 -130.74817 -127.30424 3.44393 1.83508 -127.83439 428.32919
8670.0000 -130.94936 -128.65217 2.29719 1.82696 -127.94745 426.27727
8675.0000 -130.84117 -127.71857 3.12260 1.79846 -128.34448 400.32417
8680.0000 -131.07829 -128.41768 2.66061 1.84123 -127.74869 429.87827
8685.0000 -131.01258 -128.27408 2.73851 1.80603 -128.23907 404.69802
8690.0000 -130.33568 -127.66168 2.67399 1.84928 -127.63655 445.79168
8695.0000 -130.97738 -128.31075 2.66663 1.82705 -127.94620 423.84472
8700.0000 -131.00698 -128.91073 2.09625 1.78003 -128.60128 382.16722
8705.0000 -131.54176 -128.38536 3.15640 1.76440 -128.81905 356.19040
8710.0000 -130.57024 -127.59974 2.97050 1.81468 -128.11850 410.57803
8715.0000 -130.52084 -127.19215 3.32869 1.87765 -127.24130 470.81349
8720.0000 -130.81896 -128.22802 2.59094 1.83706 -127.80668 429.19382
8725.0000 -130.60053 -127.71460 2.88593 1.82712 -127.94528 421.43605
8730.0000 -130.81763 -128.08385 2.73378 1.82369 -127.99300 419.61581
8735.0000 -131.24917 -128.81049 2.43868 1.79550 -128.38581 388.59488
8740.0000 -131.09080 -128.17692 2.91388 1.78054 -128.59422 381.21089
8745.0000 -130.40942 -127.86455 2.54488 1.81273 -128.14566 408.80501
8750.0000 -130.61778 -127.79747 2.82031 1.84029 -127.76172 436.16677
FREEZING PROCESS: loop number 36 T-loop= 396.00000000000000
main_MD> interactions number 36 at Temperature= 396.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79846 -1.75169 0.99937
force_rgl> df(natom) -1.58337 1.57436 0.00695
8755.0000 -130.24088 -127.94846 2.29242 1.83582 -127.82404 429.94073
8760.0000 -131.22383 -128.26515 2.95868 1.81324 -128.13865 410.26320
8765.0000 -131.13005 -128.33761 2.79244 1.78840 -128.48467 384.25784
8770.0000 -131.04789 -128.60800 2.43990 1.78821 -128.48726 388.70279
8775.0000 -131.10456 -128.65804 2.44652 1.77465 -128.67619 375.36955
8780.0000 -130.97831 -128.71434 2.26397 1.77697 -128.64395 377.23556
8785.0000 -131.41989 -129.08425 2.33564 1.75399 -128.96400 352.77354
8790.0000 -130.72419 -128.53330 2.19089 1.77324 -128.69590 371.37855
8795.0000 -131.12842 -128.16548 2.96294 1.81560 -128.10575 412.00531
8800.0000 -130.35528 -127.82853 2.52676 1.81373 -128.13181 413.09130
8805.0000 -130.70085 -128.28919 2.41166 1.81851 -128.06518 413.84035
8810.0000 -131.07025 -128.31913 2.75112 1.78395 -128.54668 381.12117
8815.0000 -131.68535 -128.57803 3.10732 1.76940 -128.74935 364.63278
8820.0000 -131.53487 -129.17414 2.36073 1.76899 -128.75504 366.39546
8825.0000 -130.87073 -128.14182 2.72891 1.77786 -128.63147 377.85684
8830.0000 -131.42068 -128.76467 2.65601 1.79839 -128.34550 393.32839
8835.0000 -131.03491 -128.72411 2.31080 1.77327 -128.69541 375.13735
8840.0000 -130.93695 -128.71949 2.21746 1.78366 -128.55075 380.07041
8845.0000 -131.40319 -128.62934 2.77385 1.78583 -128.52046 385.26858
8850.0000 -130.81405 -127.59037 3.22367 1.80812 -128.20998 412.83138
8855.0000 -130.55560 -127.82202 2.73358 1.85395 -127.57149 451.89692
8860.0000 -130.68770 -128.26472 2.42298 1.83983 -127.76812 440.63346
8865.0000 -130.64835 -128.16952 2.47884 1.80502 -128.25308 406.74918
8870.0000 -131.45366 -128.59848 2.85518 1.78571 -128.52211 385.18574
8875.0000 -131.09886 -129.02753 2.07134 1.77752 -128.63619 376.47060
8880.0000 -131.27252 -128.53434 2.73818 1.76652 -128.78949 369.76364
8885.0000 -131.05422 -128.41591 2.63830 1.79387 -128.40839 393.92085
8890.0000 -131.28225 -128.71142 2.57083 1.80089 -128.31062 399.08583
8895.0000 -131.19382 -128.88499 2.30883 1.74774 -129.05111 346.05073
8900.0000 -130.71675 -128.26921 2.44754 1.79882 -128.33944 398.77059
8905.0000 -130.78414 -127.72125 3.06290 1.83714 -127.80566 428.62741
8910.0000 -130.80166 -128.15118 2.65048 1.84995 -127.62721 439.64913
8915.0000 -130.33622 -127.21644 3.11978 1.85567 -127.54745 448.10000
8920.0000 -131.18489 -128.28006 2.90482 1.87168 -127.32445 461.72255
8925.0000 -131.33091 -128.75166 2.57924 1.80139 -128.30368 403.95262
8930.0000 -131.07384 -128.50686 2.56698 1.78230 -128.56969 376.51784
8935.0000 -131.12423 -128.56153 2.56270 1.78281 -128.56257 380.89221
8940.0000 -130.75302 -128.49273 2.26029 1.80356 -128.27344 397.55313
8945.0000 -130.88078 -128.70550 2.17528 1.77610 -128.65607 377.52786
8950.0000 -130.86666 -128.15572 2.71094 1.76919 -128.75223 371.89315
8955.0000 -130.77224 -127.80067 2.97156 1.83852 -127.78641 436.02068
8960.0000 -130.58877 -128.12260 2.46618 1.83245 -127.87099 426.88453
8965.0000 -130.80149 -128.23820 2.56329 1.80832 -128.20710 406.39157
8970.0000 -131.44852 -128.92846 2.52006 1.79075 -128.45194 389.63144
8975.0000 -131.25426 -129.12904 2.12522 1.73839 -129.18140 341.31957
8980.0000 -131.34484 -128.79940 2.54543 1.76960 -128.74659 376.74276
8985.0000 -131.12841 -128.13216 2.99625 1.80503 -128.25293 405.20585
8990.0000 -130.83163 -128.35512 2.47652 1.81226 -128.15223 409.05120
8995.0000 -130.42508 -127.62412 2.80096 1.83523 -127.83230 430.14125
9000.0000 -130.93720 -128.19528 2.74191 1.84991 -127.62774 448.57099
FREEZING PROCESS: loop number 37 T-loop= 371.00000000000000
main_MD> interactions number 37 at Temperature= 371.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.21991 1.57204 -0.93764
force_rgl> df(natom) 0.77009 -0.31317 -0.91352
9005.0000 -130.92329 -128.60932 2.31397 1.79047 -128.45583 388.88960
9010.0000 -131.12689 -128.75817 2.36871 1.77559 -128.66312 372.47855
9015.0000 -131.29351 -128.68775 2.60576 1.75142 -128.99989 354.34205
9020.0000 -130.82656 -128.07473 2.75182 1.78658 -128.51004 390.15389
9025.0000 -131.11299 -128.54333 2.56966 1.79946 -128.33051 395.32271
9030.0000 -131.52141 -128.96966 2.55175 1.77450 -128.67825 372.58839
9035.0000 -131.02653 -128.61551 2.41102 1.74495 -129.08994 350.10650
9040.0000 -130.85487 -128.15414 2.70074 1.79516 -128.39047 391.15563
9045.0000 -131.21276 -128.64854 2.56421 1.81145 -128.16347 410.95749
9050.0000 -130.98949 -128.55871 2.43078 1.79291 -128.42184 386.55995
9055.0000 -131.27836 -128.75427 2.52409 1.78390 -128.54733 380.86566
9060.0000 -131.04770 -128.58254 2.46516 1.77209 -128.71185 367.87586
9065.0000 -131.59895 -129.09467 2.50428 1.78302 -128.55968 380.53933
9070.0000 -130.64607 -128.57142 2.07465 1.75447 -128.95736 353.00262
9075.0000 -131.23954 -128.45257 2.78698 1.78477 -128.53525 382.73707
9080.0000 -130.39273 -128.29300 2.09973 1.82168 -128.02097 414.69397
9085.0000 -130.93706 -128.91424 2.02282 1.79769 -128.35519 394.10869
9090.0000 -131.65611 -129.28678 2.36933 1.74841 -129.04171 349.31013
9095.0000 -131.11808 -128.63491 2.48317 1.76014 -128.87834 358.68291
9100.0000 -130.87002 -128.30887 2.56115 1.80306 -128.28041 402.77218
9105.0000 -131.16290 -128.82264 2.34026 1.78875 -128.47984 385.06803
9110.0000 -131.31641 -129.17890 2.13750 1.76091 -128.86758 365.90950
9115.0000 -131.35215 -128.96336 2.38879 1.74471 -129.09328 346.00792
9120.0000 -130.81980 -128.64599 2.17380 1.73431 -129.23820 333.12329
9125.0000 -131.16897 -128.33150 2.83747 1.80792 -128.21268 405.27690
9130.0000 -131.01931 -128.31811 2.70120 1.78832 -128.48581 384.43462
9135.0000 -130.44189 -127.64442 2.79748 1.84949 -127.63355 445.21343
9140.0000 -131.05382 -128.46342 2.59040 1.84454 -127.70254 434.53815
9145.0000 -131.79828 -129.44991 2.34837 1.75516 -128.94779 359.56613
9150.0000 -131.70590 -129.29886 2.40704 1.73456 -129.23467 333.33543
9155.0000 -131.61993 -129.25945 2.36048 1.76510 -128.80920 363.40667
9160.0000 -130.98914 -128.67452 2.31462 1.74309 -129.11596 339.66899
9165.0000 -130.98780 -128.34535 2.64246 1.78857 -128.48233 384.03813
9170.0000 -131.19828 -128.41154 2.78674 1.79350 -128.41355 392.86310
9175.0000 -131.36938 -128.85905 2.51033 1.78030 -128.59751 373.70556
9180.0000 -130.94304 -128.45658 2.48645 1.75338 -128.97261 358.28726
9185.0000 -131.17328 -128.92894 2.24433 1.78188 -128.57552 386.32732
9190.0000 -131.41238 -128.79886 2.61352 1.75957 -128.88631 364.40192
9195.0000 -131.60828 -129.03711 2.57117 1.76637 -128.79161 366.59257
9200.0000 -131.18505 -128.29662 2.88843 1.76364 -128.82962 363.69475
9205.0000 -131.42908 -128.94589 2.48319 1.75808 -128.90709 359.03146
9210.0000 -130.79333 -128.48932 2.30401 1.78448 -128.53921 381.94575
9215.0000 -131.20597 -128.62392 2.58204 1.76833 -128.76420 373.65567
9220.0000 -131.36134 -128.76038 2.60096 1.79757 -128.35692 399.39950
9225.0000 -131.54345 -128.93882 2.60463 1.76254 -128.84499 364.36082
9230.0000 -131.03009 -128.83102 2.19907 1.76151 -128.85927 361.41911
9235.0000 -131.65731 -129.41409 2.24322 1.74916 -129.03136 350.91583
9240.0000 -131.55846 -128.98122 2.57724 1.75758 -128.91402 357.18534
9245.0000 -131.69243 -129.67951 2.01292 1.73193 -129.27136 335.10202
9250.0000 -131.38894 -129.10052 2.28841 1.73489 -129.23014 332.66535
FREEZING PROCESS: loop number 38 T-loop= 346.00000000000000
main_MD> interactions number 38 at Temperature= 346.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45728 0.89994 -0.22395
force_rgl> df(natom) -0.42808 1.01802 2.17255
9255.0000 -131.79038 -129.89703 1.89335 1.70343 -129.66841 305.32838
9260.0000 -131.85131 -129.43435 2.41696 1.69754 -129.75046 303.36512
9265.0000 -131.28692 -128.92858 2.35834 1.72286 -129.39768 323.10309
9270.0000 -131.01004 -128.63620 2.37384 1.78149 -128.58098 380.26393
9275.0000 -130.92451 -128.45929 2.46522 1.78070 -128.59187 376.22400
9280.0000 -130.84545 -128.39015 2.45530 1.79870 -128.34121 394.15848
9285.0000 -131.27342 -129.31330 1.96012 1.77278 -128.70231 367.52687
9290.0000 -131.35811 -129.07838 2.27974 1.74291 -129.11840 343.92295
9295.0000 -131.20987 -129.09382 2.11605 1.72684 -129.34222 329.60351
9300.0000 -130.87747 -128.31007 2.56740 1.79731 -128.36051 395.10231
9305.0000 -131.59043 -129.11562 2.47481 1.77282 -128.70173 373.25382
9310.0000 -131.20088 -128.90417 2.29671 1.74479 -129.09219 344.08732
9315.0000 -131.91938 -129.28397 2.63541 1.74275 -129.12070 342.36722
9320.0000 -131.67912 -129.54727 2.13185 1.72432 -129.37736 332.17248
9325.0000 -131.62531 -129.32909 2.29622 1.70526 -129.64295 308.93020
9330.0000 -131.33569 -129.02590 2.30979 1.74865 -129.03844 356.34943
9335.0000 -131.31492 -128.45258 2.86234 1.75067 -129.01027 357.27530
9340.0000 -131.43890 -129.31032 2.12859 1.75366 -128.96868 355.46826
9345.0000 -131.69141 -129.46053 2.23088 1.72253 -129.40238 327.53483
9350.0000 -131.82567 -129.70221 2.12346 1.70747 -129.61221 309.15766
9355.0000 -131.64657 -129.20631 2.44026 1.70554 -129.63898 307.53784
9360.0000 -131.23571 -128.58905 2.64667 1.76701 -128.78269 368.72175
9365.0000 -131.41493 -128.54107 2.87386 1.78690 -128.50560 383.39995
9370.0000 -131.23057 -129.01057 2.21999 1.76432 -128.82017 360.62188
9375.0000 -131.39653 -129.11122 2.28532 1.75376 -128.96720 353.91354
9380.0000 -131.73352 -129.31079 2.42273 1.73214 -129.26844 332.34984
9385.0000 -131.23452 -129.09579 2.13873 1.72998 -129.29859 328.97734
9390.0000 -131.53415 -129.33545 2.19870 1.73036 -129.29320 331.80644
9395.0000 -131.47192 -129.14905 2.32287 1.73917 -129.17049 339.49528
9400.0000 -131.55868 -129.32728 2.23140 1.71033 -129.57234 314.22145
9405.0000 -130.90839 -129.18819 1.72019 1.72397 -129.38230 325.32238
9410.0000 -131.31768 -129.07783 2.23984 1.73301 -129.25627 335.88117
9415.0000 -131.58431 -129.45029 2.13402 1.73382 -129.24504 338.77183
9420.0000 -131.81275 -128.80626 3.00649 1.73408 -129.24140 335.17203
9425.0000 -131.72237 -129.21112 2.51125 1.74358 -129.10909 343.21041
9430.0000 -131.52956 -129.31598 2.21358 1.72943 -129.30620 331.46422
9435.0000 -131.57477 -129.03021 2.54455 1.72707 -129.33915 329.45023
9440.0000 -131.47270 -129.22997 2.24273 1.74547 -129.08280 345.59385
9445.0000 -131.46996 -129.26971 2.20026 1.74404 -129.10262 345.13306
9450.0000 -131.11738 -128.67710 2.44028 1.75103 -129.00535 348.44029
9455.0000 -131.07507 -128.44772 2.62735 1.76988 -128.74272 371.50826
9460.0000 -131.67857 -129.60680 2.07178 1.76981 -128.74368 368.81441
9465.0000 -131.13268 -128.51366 2.61902 1.73656 -129.20694 338.12236
9470.0000 -131.49746 -128.94590 2.55156 1.76091 -128.86761 361.80662
9475.0000 -131.66171 -129.43914 2.22256 1.72062 -129.42894 324.74475
9480.0000 -131.62102 -128.97916 2.64187 1.71525 -129.50381 314.20085
9485.0000 -131.11901 -128.68721 2.43180 1.75952 -128.88696 365.13741
9490.0000 -131.22692 -128.55945 2.66747 1.78432 -128.54147 381.69239
9495.0000 -130.96896 -128.60519 2.36377 1.78437 -128.54083 382.66557
9500.0000 -131.59051 -128.92947 2.66103 1.75259 -128.98357 352.27015
FREEZING PROCESS: loop number 39 T-loop= 321.00000000000000
main_MD> interactions number 39 at Temperature= 321.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.89355 0.11298 0.24506
force_rgl> df(natom) 1.18211 1.09291 -0.59277
9505.0000 -131.35838 -128.78580 2.57259 1.75572 -128.93997 353.91578
9510.0000 -131.27622 -129.03123 2.24499 1.77274 -128.70285 366.88416
9515.0000 -131.35915 -129.41416 1.94499 1.72007 -129.43663 323.66554
9520.0000 -131.57783 -129.41536 2.16248 1.72884 -129.31438 329.80633
9525.0000 -131.91779 -129.53628 2.38151 1.72346 -129.38937 325.41349
9530.0000 -131.87919 -129.63876 2.24043 1.72748 -129.33330 325.48495
9535.0000 -131.93357 -129.60199 2.33158 1.71412 -129.51943 316.91859
9540.0000 -131.79685 -129.37211 2.42474 1.71457 -129.51317 315.61908
9545.0000 -131.96875 -129.10206 2.86670 1.72967 -129.30290 330.95378
9550.0000 -132.16501 -130.19810 1.96691 1.69113 -129.83974 294.40686
9555.0000 -131.69904 -129.57663 2.12241 1.68795 -129.88402 289.56138
9560.0000 -131.39387 -129.40314 1.99073 1.72106 -129.42286 321.36715
9565.0000 -131.17238 -129.04613 2.12624 1.75048 -129.01294 347.78708
9570.0000 -131.45650 -129.53692 1.91959 1.72764 -129.33114 332.90079
9575.0000 -130.99134 -128.48550 2.50584 1.75085 -129.00774 358.37660
9580.0000 -131.52109 -129.26187 2.25921 1.75964 -128.88539 361.16632
9585.0000 -132.03577 -129.84669 2.18908 1.71120 -129.56012 312.11516
9590.0000 -131.74798 -129.91711 1.83087 1.68918 -129.86696 292.98723
9595.0000 -131.38580 -129.04509 2.34071 1.71890 -129.45289 322.03944
9600.0000 -131.91618 -129.70537 2.21081 1.72375 -129.38534 326.88382
9605.0000 -131.64445 -129.72380 1.92065 1.71491 -129.50850 317.80065
9610.0000 -131.62563 -129.81199 1.81364 1.69924 -129.72683 301.26444
9615.0000 -131.81779 -129.54723 2.27056 1.70375 -129.66393 305.92019
9620.0000 -131.44282 -129.54597 1.89684 1.70154 -129.69483 304.46660
9625.0000 -131.33597 -129.05348 2.28249 1.73289 -129.25806 335.16513
9630.0000 -131.51232 -129.41057 2.10175 1.73431 -129.23827 333.05594
9635.0000 -131.21101 -129.20639 2.00462 1.72256 -129.40196 324.74031
9640.0000 -131.38015 -129.68543 1.69472 1.72272 -129.39973 323.79733
9645.0000 -131.40928 -129.53099 1.87828 1.70049 -129.70944 304.64661
9650.0000 -131.83622 -129.47005 2.36617 1.71802 -129.46515 313.54368
9655.0000 -131.26866 -128.98891 2.27976 1.72218 -129.40722 325.78591
9660.0000 -131.31902 -128.88001 2.43901 1.76026 -128.87672 364.58296
9665.0000 -131.46639 -129.14667 2.31972 1.72361 -129.38730 322.53200
9670.0000 -131.74406 -129.71454 2.02952 1.72531 -129.36366 325.78570
9675.0000 -131.57251 -129.45494 2.11757 1.72422 -129.37880 326.95090
9680.0000 -132.04462 -129.66229 2.38234 1.70917 -129.58852 310.85066
9685.0000 -131.93928 -130.02549 1.91379 1.69496 -129.78640 298.03381
9690.0000 -131.99088 -130.19292 1.79795 1.67097 -130.12070 273.80402
9695.0000 -131.28055 -129.38924 1.89132 1.68312 -129.95144 285.82579
9700.0000 -131.05598 -128.91799 2.13799 1.74898 -129.03385 348.17149
9705.0000 -131.15027 -129.15487 1.99540 1.74512 -129.08755 348.01906
9710.0000 -131.28592 -129.32123 1.96469 1.73884 -129.17508 339.24368
9715.0000 -131.97909 -129.96798 2.01111 1.71313 -129.53335 312.95257
9720.0000 -131.73770 -129.80256 1.93515 1.68284 -129.95534 284.44755
9725.0000 -131.51302 -129.72053 1.79250 1.70461 -129.65192 304.68299
9730.0000 -131.53774 -129.03236 2.50539 1.73499 -129.22872 336.56451
9735.0000 -131.90648 -129.54559 2.36090 1.71992 -129.43873 319.42713
9740.0000 -131.99565 -129.63720 2.35845 1.73488 -129.23031 333.28224
9745.0000 -131.99276 -129.96929 2.02347 1.68912 -129.86780 289.51975
9750.0000 -131.48683 -129.37396 2.11287 1.70625 -129.62921 307.33315
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 10 [min], 11.9277406 [s].
main_MD> Deallocating global variables
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