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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_54/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_54.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 = 54 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 54 5400
main_MD> Size of nv and nvoiz: 54 5400
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 = 54
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 1.5814175931913452E-002 -0.10912403917190971 -0.11662734588088940 initial drift of cluster / NP1 for coalescence
init> 0.37507787303552143 0.36304172807151008 0.34043480945220900 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8231579432571796E-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) -1.42595 8.32431 -2.81955
force_rgl> df(natom) 4.20535 0.41773 -2.15858
preparo> THERMALIZATION PROCESS AT 1264.0274694893376
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -116.86749557886986 9.3106027221001479 -126.17809830097001 6.4052891146924992E-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 38
FREEZING PROCESS: loop number 1 T-loop= 1243.0000000000000
main_MD> interactions number 1 at Temperature= 1243.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78263 0.88217 0.42752
force_rgl> df(natom) -3.23243 -0.57971 -3.63566
5.0000 -124.48430 -114.54200 9.94229 3.08807 -115.18191 1300.90130
10.0000 -122.70097 -113.52357 9.17740 3.13131 -114.56417 1327.50305
15.0000 -125.17556 -114.59507 10.58049 3.18430 -113.80714 1394.28809
20.0000 -126.49732 -116.71793 9.77939 2.99752 -116.47559 1228.28636
25.0000 -125.65342 -117.07663 8.57679 2.94943 -117.16261 1186.98304
30.0000 -124.73042 -115.92569 8.80473 2.96926 -116.87934 1192.81992
35.0000 -124.53852 -117.28353 7.25499 3.02067 -116.14486 1229.46070
40.0000 -124.13724 -116.15199 7.98525 2.98886 -116.59937 1198.57944
45.0000 -125.44079 -115.59328 9.84751 2.97243 -116.83404 1208.99006
50.0000 -124.87464 -117.04478 7.82985 2.95232 -117.12136 1183.31018
55.0000 -123.21087 -115.48199 7.72888 2.97149 -116.84746 1188.15361
60.0000 -124.39143 -117.65993 6.73150 3.07866 -115.31641 1294.93524
65.0000 -124.45619 -117.34781 7.10838 2.93332 -117.39286 1168.29061
70.0000 -126.43658 -118.82066 7.61592 2.87032 -118.29283 1142.07648
75.0000 -124.93465 -117.01981 7.91484 2.91861 -117.60290 1167.88020
80.0000 -125.26744 -116.84154 8.42590 3.00812 -116.32410 1199.60202
85.0000 -124.97883 -116.51666 8.46217 3.01426 -116.23642 1205.03210
90.0000 -123.98792 -115.94368 8.04424 2.95311 -117.11014 1160.35839
95.0000 -123.34553 -116.06269 7.28283 3.03933 -115.87830 1204.95106
100.0000 -121.37937 -113.02070 8.35867 3.12193 -114.69817 1315.89631
105.0000 -124.42759 -113.89554 10.53205 3.25896 -112.74052 1450.85468
110.0000 -123.58282 -115.75875 7.82407 3.11212 -114.83840 1316.74100
115.0000 -124.09532 -114.11012 9.98519 3.11702 -114.76835 1298.48853
120.0000 -125.34423 -116.15187 9.19235 3.15012 -114.29545 1378.64650
125.0000 -124.10227 -116.94511 7.15715 2.97728 -116.76476 1223.09839
130.0000 -125.80135 -116.86725 8.93410 2.96583 -116.92828 1169.54323
135.0000 -124.14509 -115.30716 8.83792 3.08714 -115.19523 1283.23080
140.0000 -124.04854 -115.87041 8.17813 3.06782 -115.47129 1277.02057
145.0000 -124.30756 -114.57503 9.73253 3.02265 -116.11660 1260.46651
150.0000 -123.14524 -113.43034 9.71490 3.25556 -112.78904 1442.73293
155.0000 -123.90119 -114.48925 9.41194 3.14675 -114.34360 1348.57039
160.0000 -125.42367 -117.72501 7.69867 3.04372 -115.81553 1247.15984
165.0000 -125.61002 -117.39053 8.21949 2.94231 -117.26431 1182.28181
170.0000 -127.40083 -119.03637 8.36446 2.87689 -118.19895 1138.14805
175.0000 -125.58296 -117.64263 7.94033 2.93690 -117.34166 1183.32410
180.0000 -125.65965 -117.34694 8.31271 2.93296 -117.39794 1150.71266
185.0000 -122.78781 -113.52005 9.26776 3.07836 -115.32068 1280.51584
190.0000 -124.46973 -112.97002 11.49971 3.31118 -111.99452 1465.39058
195.0000 -124.15079 -115.16620 8.98459 3.17464 -113.94519 1349.92868
200.0000 -127.06840 -116.90365 10.16475 2.98910 -116.59584 1225.05801
205.0000 -122.34291 -112.97237 9.37055 3.13463 -114.51672 1330.23106
210.0000 -123.09214 -112.80701 10.28513 3.21444 -113.37661 1426.09371
215.0000 -123.76605 -115.23630 8.52974 3.07843 -115.31968 1318.41744
220.0000 -124.51335 -115.80211 8.71124 3.02693 -116.05542 1243.13887
225.0000 -125.64275 -117.12570 8.51705 2.96352 -116.96138 1231.37829
230.0000 -124.12945 -115.81390 8.31556 2.92989 -117.44178 1198.18359
235.0000 -125.34268 -116.75385 8.58882 2.96231 -116.97863 1172.76463
240.0000 -124.61942 -116.97145 7.64796 3.01795 -116.18374 1246.96765
245.0000 -126.92715 -117.82026 9.10690 2.97204 -116.83955 1254.78484
250.0000 -124.74906 -117.31296 7.43609 2.94591 -117.21296 1193.37093
FREEZING PROCESS: loop number 2 T-loop= 1218.0000000000000
main_MD> interactions number 2 at Temperature= 1218.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61460 -2.65675 -1.68746
force_rgl> df(natom) -0.76149 0.00562 1.02086
255.0000 -124.09216 -115.94708 8.14508 2.96152 -116.98990 1195.44012
260.0000 -125.60240 -116.11789 9.48451 3.09672 -115.05836 1300.50813
265.0000 -126.22135 -116.46807 9.75328 3.01977 -116.15778 1244.68762
270.0000 -123.85921 -114.79258 9.06663 3.01214 -116.26667 1233.59382
275.0000 -126.93750 -117.06038 9.87712 2.99782 -116.47133 1248.95572
280.0000 -122.42075 -115.56761 6.85315 2.93549 -117.36180 1196.85818
285.0000 -126.54916 -119.31528 7.23388 2.90579 -117.78604 1109.54847
290.0000 -126.36770 -117.05571 9.31199 2.87624 -118.20830 1141.18739
295.0000 -127.41744 -118.71214 8.70530 2.81048 -119.14773 1118.71502
300.0000 -123.09547 -115.46282 7.63265 2.87061 -118.28867 1127.52743
305.0000 -124.50466 -115.48659 9.01807 3.10960 -114.87440 1253.32042
310.0000 -126.19827 -116.98785 9.21042 3.02556 -116.07496 1230.66862
315.0000 -124.69799 -117.15729 7.54070 3.01971 -116.15857 1268.76743
320.0000 -124.99680 -115.86267 9.13413 2.96804 -116.89679 1207.97414
325.0000 -124.82969 -116.91751 7.91217 2.98784 -116.61393 1235.66924
330.0000 -126.59596 -117.30942 9.28654 2.98664 -116.63105 1222.48097
335.0000 -126.22017 -118.91641 7.30376 2.92287 -117.54208 1166.86558
340.0000 -125.35629 -115.86083 9.49547 2.88137 -118.13501 1141.02489
345.0000 -124.72563 -115.98582 8.73981 3.01569 -116.21606 1212.87717
350.0000 -125.26467 -117.83833 7.42634 2.94583 -117.21404 1131.34726
355.0000 -127.54717 -119.22259 8.32458 2.87980 -118.15735 1145.92415
360.0000 -125.50992 -117.11503 8.39489 2.90389 -117.81326 1170.83560
365.0000 -126.05395 -117.81899 8.23496 2.91006 -117.72512 1191.14923
370.0000 -125.11825 -116.62513 8.49312 2.87850 -118.17592 1151.32701
375.0000 -124.41292 -117.54494 6.86799 2.97297 -116.82633 1223.37020
380.0000 -125.38146 -115.78650 9.59496 2.95902 -117.02563 1203.24826
385.0000 -124.26841 -116.54277 7.72565 2.98394 -116.66966 1210.23159
390.0000 -123.96749 -116.04479 7.92269 3.00047 -116.43345 1240.03864
395.0000 -123.27645 -114.77967 8.49678 3.04526 -115.79359 1184.66096
400.0000 -123.93312 -115.55927 8.37385 3.05995 -115.58367 1256.41499
405.0000 -124.51366 -115.65978 8.85388 3.05556 -115.64638 1321.14190
410.0000 -123.42517 -113.37776 10.04741 3.10391 -114.95562 1328.68380
415.0000 -122.71799 -112.98797 9.73002 3.17208 -113.98178 1324.43742
420.0000 -121.25710 -111.76501 9.49209 3.29865 -112.17348 1497.23405
425.0000 -124.96544 -114.99748 9.96796 3.21370 -113.38711 1388.08309
430.0000 -124.11922 -115.95997 8.15926 3.12520 -114.65142 1288.01261
435.0000 -126.20730 -115.74374 10.46356 3.03228 -115.97904 1265.99918
440.0000 -123.38129 -113.93723 9.44406 3.11961 -114.73135 1339.63645
445.0000 -123.79429 -115.65821 8.13608 3.09472 -115.08700 1284.32914
450.0000 -123.05084 -112.48229 10.56856 3.16652 -114.06113 1331.25867
455.0000 -125.40580 -117.36280 8.04300 3.13063 -114.57396 1339.64985
460.0000 -122.87800 -114.56193 8.31607 3.05657 -115.63192 1274.52547
465.0000 -123.86882 -115.50258 8.36624 3.11445 -114.80510 1336.53898
470.0000 -125.85416 -117.35969 8.49447 2.99538 -116.50617 1219.52106
475.0000 -124.33498 -116.81095 7.52404 2.94645 -117.20517 1181.56480
480.0000 -125.15686 -117.51597 7.64090 2.93327 -117.39358 1201.91397
485.0000 -124.34145 -116.80011 7.54134 2.99421 -116.52286 1232.97536
490.0000 -125.92954 -116.65297 9.27657 2.99909 -116.45321 1261.21166
495.0000 -122.96864 -114.87614 8.09250 3.03218 -115.98047 1243.28561
500.0000 -123.40560 -114.76841 8.63719 3.09580 -115.07156 1293.15525
FREEZING PROCESS: loop number 3 T-loop= 1193.0000000000000
main_MD> interactions number 3 at Temperature= 1193.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06637 -1.73261 0.84763
force_rgl> df(natom) -1.01899 -2.75475 -0.94429
505.0000 -126.01097 -117.00432 9.00665 3.01080 -116.28584 1252.99369
510.0000 -126.02843 -117.35578 8.67265 2.94238 -117.26333 1200.68504
515.0000 -125.21703 -117.04009 8.17694 2.93624 -117.35104 1171.84078
520.0000 -124.90685 -117.13026 7.77659 2.93603 -117.35405 1137.96542
525.0000 -125.34287 -116.08920 9.25367 2.90689 -117.77042 1120.05917
530.0000 -122.98521 -113.51403 9.47118 3.13956 -114.44634 1313.51536
535.0000 -125.88277 -116.74357 9.13920 3.13207 -114.55335 1312.86929
540.0000 -125.60919 -117.61139 7.99780 2.95621 -117.06583 1194.29639
545.0000 -126.35552 -118.05423 8.30129 2.84269 -118.68764 1102.36790
550.0000 -125.49404 -116.66888 8.82516 2.96207 -116.98204 1184.26492
555.0000 -123.35009 -116.94156 6.40853 2.96216 -116.98072 1153.85259
560.0000 -123.93319 -114.41968 9.51351 3.05277 -115.68633 1247.12815
565.0000 -125.94454 -115.84213 10.10241 3.04026 -115.86504 1245.61612
570.0000 -124.44363 -115.35714 9.08649 3.02678 -116.05751 1265.77927
575.0000 -123.58281 -116.23153 7.35128 3.04637 -115.77766 1256.54604
580.0000 -124.06168 -115.33261 8.72906 3.00810 -116.32445 1247.88848
585.0000 -124.97366 -115.45437 9.51929 3.03149 -115.99035 1241.41271
590.0000 -124.08052 -114.08512 9.99540 3.15426 -114.23631 1332.52473
595.0000 -126.00109 -117.01542 8.98567 3.05518 -115.65185 1268.57432
600.0000 -125.82374 -118.58784 7.23590 2.92256 -117.54648 1157.81661
605.0000 -125.95793 -117.67007 8.28786 2.87654 -118.20403 1122.51345
610.0000 -125.37916 -116.13767 9.24149 2.92224 -117.55116 1173.48906
615.0000 -123.84459 -114.98829 8.85630 3.08254 -115.26095 1277.58430
620.0000 -123.68593 -115.19809 8.48784 3.07934 -115.30663 1283.61530
625.0000 -124.35801 -115.05172 9.30629 3.16769 -114.04441 1351.03830
630.0000 -125.94007 -117.62593 8.31414 2.97211 -116.83867 1211.27350
635.0000 -124.53938 -116.09325 8.44613 2.97886 -116.74214 1207.32829
640.0000 -124.12332 -116.83014 7.29318 3.01663 -116.20264 1222.75928
645.0000 -124.76835 -116.41843 8.34992 3.02243 -116.11972 1200.67344
650.0000 -125.53478 -116.46616 9.06862 2.97899 -116.74035 1206.41156
655.0000 -125.68747 -117.33187 8.35561 2.96751 -116.90439 1202.76102
660.0000 -123.07362 -115.13173 7.94190 3.09559 -115.07448 1267.97167
665.0000 -124.94668 -115.55745 9.38923 3.06236 -115.54920 1238.45317
670.0000 -125.63807 -116.03828 9.59980 3.02746 -116.04779 1226.66209
675.0000 -127.06396 -119.68947 7.37448 2.93574 -117.35818 1147.27460
680.0000 -126.65487 -117.82620 8.82866 2.87267 -118.25935 1106.89032
685.0000 -126.46917 -118.21834 8.25083 2.91994 -117.58399 1163.32305
690.0000 -124.08348 -117.29996 6.78352 2.92565 -117.50232 1125.37257
695.0000 -126.10515 -119.69521 6.40994 2.92786 -117.47083 1183.84131
700.0000 -126.25335 -119.04254 7.21080 2.81608 -119.06781 1056.17730
705.0000 -125.27037 -115.97949 9.29088 2.87225 -118.26535 1139.84385
710.0000 -126.01381 -116.10297 9.91084 3.02633 -116.06400 1215.09893
715.0000 -125.45208 -116.08802 9.36406 3.05428 -115.66463 1219.56465
720.0000 -125.40851 -118.81435 6.59416 2.99384 -116.52811 1207.33029
725.0000 -122.56928 -115.21733 7.35195 2.92740 -117.47744 1078.06394
730.0000 -125.61220 -117.53068 8.08152 2.99670 -116.48726 1231.69827
735.0000 -125.01906 -117.29795 7.72111 2.95969 -117.01610 1203.70047
740.0000 -125.63663 -118.91932 6.71731 2.89102 -117.99717 1106.57375
745.0000 -126.59662 -118.21835 8.37827 2.84205 -118.69680 1094.56364
750.0000 -126.30685 -118.31304 7.99380 2.80330 -119.25029 1099.00857
FREEZING PROCESS: loop number 4 T-loop= 1168.0000000000000
main_MD> interactions number 4 at Temperature= 1168.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07161 -2.58790 -2.02801
force_rgl> df(natom) 2.02407 -1.30143 1.42928
755.0000 -124.24497 -116.03699 8.20798 2.94403 -117.23983 1223.20323
760.0000 -126.34363 -118.86937 7.47427 2.97387 -116.81353 1239.05273
765.0000 -125.19185 -118.26547 6.92638 2.77823 -119.60853 1053.35323
770.0000 -125.17038 -116.62605 8.54432 2.93307 -117.39633 1153.04113
775.0000 -125.98450 -117.02296 8.96154 2.98449 -116.66169 1209.21823
780.0000 -127.65725 -118.57113 9.08612 2.90698 -117.76915 1188.75965
785.0000 -125.71341 -117.42792 8.28549 2.85712 -118.48148 1126.65034
790.0000 -127.01913 -119.66518 7.35395 2.87112 -118.28144 1116.99807
795.0000 -127.84329 -120.88597 6.95731 2.74367 -120.10229 1053.26579
800.0000 -127.47724 -120.49722 6.98002 2.76731 -119.76456 1096.12102
805.0000 -126.88542 -119.82832 7.05709 2.80595 -119.21252 1115.60771
810.0000 -128.09692 -120.34980 7.74712 2.76339 -119.82052 1069.63684
815.0000 -125.26997 -117.37780 7.89217 2.84070 -118.71598 1076.55916
820.0000 -123.62778 -114.88739 8.74039 3.05609 -115.63878 1284.46543
825.0000 -125.56491 -117.42503 8.13988 3.03846 -115.89073 1281.10485
830.0000 -127.02837 -118.83138 8.19698 2.89247 -117.97638 1140.39423
835.0000 -124.39758 -115.61708 8.78050 2.96883 -116.88555 1204.43394
840.0000 -124.60385 -116.95445 7.64940 2.95767 -117.04495 1179.45868
845.0000 -124.67681 -117.00968 7.66712 3.00825 -116.32234 1257.35517
850.0000 -123.51501 -114.90038 8.61463 3.03319 -115.96596 1217.85685
855.0000 -125.16655 -117.23277 7.93378 3.01564 -116.21671 1224.93081
860.0000 -127.38391 -119.89231 7.49160 2.84145 -118.70536 1079.35462
865.0000 -125.71529 -118.77605 6.93924 2.78131 -119.56451 1056.75561
870.0000 -125.61904 -116.93014 8.68890 2.86391 -118.38440 1096.87804
875.0000 -126.32490 -119.92933 6.39557 2.84638 -118.63489 1078.19774
880.0000 -127.35403 -120.03623 7.31780 2.71632 -120.49306 1031.53681
885.0000 -125.13327 -118.11894 7.01433 2.85281 -118.54307 1134.28237
890.0000 -124.13656 -116.43382 7.70274 2.95767 -117.04495 1181.35961
895.0000 -123.84898 -115.54848 8.30050 2.98117 -116.70926 1187.80902
900.0000 -124.97763 -114.45104 10.52659 3.09495 -115.08366 1263.88045
905.0000 -123.51938 -115.03417 8.48521 3.10895 -114.88368 1338.19782
910.0000 -125.85364 -117.30079 8.55285 3.02113 -116.13835 1217.39437
915.0000 -125.61516 -116.01382 9.60134 2.97651 -116.77570 1233.03088
920.0000 -125.96315 -115.89357 10.06958 2.99793 -116.46969 1271.52180
925.0000 -123.69314 -115.00308 8.69007 3.07077 -115.42905 1269.23935
930.0000 -124.97388 -115.06314 9.91074 3.05498 -115.65465 1278.56656
935.0000 -125.21423 -116.22842 8.98581 3.00025 -116.43661 1185.63247
940.0000 -125.77404 -117.40026 8.37378 2.95358 -117.10329 1195.19506
945.0000 -126.53931 -118.51633 8.02298 2.84281 -118.68591 1077.35108
950.0000 -126.73951 -117.36715 9.37236 2.93796 -117.32651 1206.24349
955.0000 -125.44856 -119.16660 6.28196 2.91722 -117.62281 1176.08358
960.0000 -126.34312 -119.50919 6.83392 2.82372 -118.95865 1086.80630
965.0000 -127.33277 -119.70910 7.62367 2.78989 -119.44194 1072.80050
970.0000 -124.94910 -118.03823 6.91087 2.86276 -118.40091 1161.32742
975.0000 -123.15560 -115.95427 7.20133 2.93636 -117.34931 1164.12447
980.0000 -125.30385 -115.70650 9.59735 3.05759 -115.61734 1273.86623
985.0000 -125.50948 -117.62072 7.88876 3.00103 -116.42547 1259.47010
990.0000 -125.04652 -117.84200 7.20452 2.94590 -117.21307 1163.43916
995.0000 -125.56931 -117.85094 7.71837 2.93539 -117.36325 1192.98891
1000.0000 -124.89158 -116.01647 8.87511 2.95025 -117.15097 1167.80561
FREEZING PROCESS: loop number 5 T-loop= 1143.0000000000000
main_MD> interactions number 5 at Temperature= 1143.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15442 1.72831 0.23423
force_rgl> df(natom) 1.90822 -5.48727 2.65323
1005.0000 -125.79665 -117.93379 7.86286 3.00962 -116.30269 1233.86842
1010.0000 -126.08656 -118.99380 7.09277 2.84256 -118.68941 1075.19750
1015.0000 -126.26007 -118.48821 7.77186 2.78543 -119.50571 1054.09570
1020.0000 -124.68835 -117.90253 6.78582 2.93666 -117.34505 1140.15194
1025.0000 -126.51336 -116.91839 9.59498 2.93120 -117.42310 1162.72926
1030.0000 -127.95112 -118.68812 9.26300 2.91530 -117.65026 1156.99423
1035.0000 -127.17000 -120.67194 6.49806 2.79001 -119.44026 1067.75863
1040.0000 -126.13383 -118.36684 7.76700 2.79759 -119.33199 1071.11999
1045.0000 -126.27316 -117.45785 8.81531 2.87736 -118.19222 1171.32925
1050.0000 -127.03015 -118.69175 8.33840 2.84232 -118.69294 1099.04378
1055.0000 -124.70423 -115.51106 9.19317 3.00403 -116.38261 1226.95797
1060.0000 -124.38597 -115.68975 8.69622 3.09792 -115.04121 1303.54013
1065.0000 -125.37721 -117.58024 7.79697 2.98587 -116.64207 1237.57793
1070.0000 -126.54064 -119.73409 6.80654 2.87546 -118.21949 1163.17709
1075.0000 -126.61375 -118.29731 8.31644 2.84858 -118.60348 1130.70684
1080.0000 -126.11764 -118.29119 7.82644 2.92886 -117.45647 1210.00768
1085.0000 -125.36335 -116.52719 8.83616 2.88927 -118.02212 1163.92254
1090.0000 -123.69315 -117.58885 6.10430 2.94559 -117.21756 1169.85509
1095.0000 -124.88508 -117.09230 7.79279 2.99155 -116.56083 1202.27285
1100.0000 -125.08799 -117.57888 7.50911 2.92759 -117.47469 1188.29212
1105.0000 -126.21356 -118.36572 7.84783 2.95200 -117.12597 1164.22395
1110.0000 -125.10021 -117.49280 7.60742 2.82918 -118.88060 1103.35034
1115.0000 -126.72411 -118.73204 7.99207 2.96876 -116.88645 1177.35791
1120.0000 -126.77268 -118.47806 8.29462 2.87700 -118.19738 1132.46153
1125.0000 -126.36043 -118.45570 7.90473 2.86461 -118.37442 1147.54407
1130.0000 -126.58643 -118.67948 7.90695 2.89394 -117.95538 1198.35400
1135.0000 -126.39953 -118.24096 8.15857 2.87846 -118.17654 1174.58787
1140.0000 -127.14131 -119.44752 7.69380 2.88184 -118.12832 1165.91394
1145.0000 -127.11770 -118.89526 8.22244 2.84106 -118.71085 1131.41954
1150.0000 -128.04933 -119.75656 8.29276 2.82668 -118.91630 1114.15180
1155.0000 -126.18846 -118.74035 7.44811 2.80778 -119.18636 1058.37437
1160.0000 -128.11727 -119.82443 8.29285 2.81595 -119.06959 1077.37377
1165.0000 -126.33710 -118.19572 8.14138 2.80086 -119.28519 1089.52574
1170.0000 -125.71092 -118.14566 7.56526 2.89548 -117.93345 1111.23793
1175.0000 -125.69892 -118.67513 7.02378 2.86761 -118.33153 1106.84767
1180.0000 -127.32071 -120.25256 7.06815 2.72824 -120.32277 1005.29044
1185.0000 -127.33572 -119.71682 7.61890 2.80134 -119.27839 1039.06547
1190.0000 -126.52422 -118.40001 8.12421 2.77084 -119.71410 1048.31760
1195.0000 -124.98077 -117.12944 7.85132 2.84821 -118.60875 1140.29530
1200.0000 -127.05938 -118.41458 8.64480 2.85427 -118.52221 1133.22801
1205.0000 -126.48397 -117.37919 9.10478 2.92886 -117.45649 1191.90532
1210.0000 -125.17581 -116.99370 8.18211 2.95512 -117.08133 1202.60386
1215.0000 -124.78755 -116.19145 8.59610 3.02781 -116.04281 1222.67165
1220.0000 -126.69016 -117.53796 9.15220 2.92244 -117.54830 1157.23259
1225.0000 -127.63792 -118.24314 9.39477 2.86968 -118.30204 1151.94104
1230.0000 -125.62454 -117.21831 8.40623 2.86051 -118.43300 1153.65197
1235.0000 -126.33761 -117.24303 9.09457 2.99447 -116.51922 1217.78947
1240.0000 -125.66415 -115.43483 10.22932 3.02734 -116.04955 1273.97519
1245.0000 -125.06649 -118.50615 6.56034 2.95823 -117.03692 1184.31568
1250.0000 -126.89717 -118.45185 8.44532 2.83780 -118.75751 1131.17672
FREEZING PROCESS: loop number 6 T-loop= 1118.0000000000000
main_MD> interactions number 6 at Temperature= 1118.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.70708 -5.15505 1.23193
force_rgl> df(natom) -2.04609 -3.38153 -0.49576
1255.0000 -125.34312 -116.74285 8.60026 2.88401 -118.09730 1114.15162
1260.0000 -124.62455 -116.91571 7.70884 2.93714 -117.33823 1185.15635
1265.0000 -124.76300 -116.79236 7.97064 2.93719 -117.33757 1160.14751
1270.0000 -127.07736 -118.98001 8.09735 2.95666 -117.05933 1195.04794
1275.0000 -127.52340 -120.80377 6.71962 2.73333 -120.24999 1042.60701
1280.0000 -127.86604 -120.46787 7.39817 2.73436 -120.23530 1039.98362
1285.0000 -128.27946 -120.83900 7.44046 2.63507 -121.65381 945.33932
1290.0000 -126.99152 -119.57845 7.41307 2.74531 -120.07890 1030.34086
1295.0000 -124.72332 -117.23691 7.48641 2.84177 -118.70071 1096.52101
1300.0000 -126.15724 -117.36263 8.79461 2.95291 -117.11292 1146.61112
1305.0000 -125.19481 -117.83624 7.35857 2.99561 -116.50285 1231.87634
1310.0000 -126.80626 -117.73612 9.07014 2.92859 -117.46043 1192.01177
1315.0000 -126.16876 -118.46407 7.70468 2.84753 -118.61843 1097.72853
1320.0000 -127.30100 -118.63567 8.66533 2.86308 -118.39630 1162.74101
1325.0000 -124.75299 -117.98054 6.77245 2.86985 -118.29951 1089.31827
1330.0000 -126.46801 -117.89121 8.57679 2.86744 -118.33395 1113.23862
1335.0000 -126.95355 -119.12935 7.82420 2.84676 -118.62952 1097.68142
1340.0000 -126.87664 -118.50597 8.37066 2.84021 -118.72306 1117.58864
1345.0000 -127.52267 -119.04322 8.47945 2.76930 -119.73611 1050.31675
1350.0000 -127.70694 -118.97078 8.73616 2.81676 -119.05808 1104.76642
1355.0000 -127.92095 -120.19330 7.72766 2.74117 -120.13798 1018.58716
1360.0000 -127.91977 -120.36813 7.55164 2.77651 -119.63302 1069.29409
1365.0000 -126.71813 -119.43852 7.27961 2.71436 -120.52097 982.68088
1370.0000 -128.00761 -120.49412 7.51349 2.71685 -120.48543 1010.69632
1375.0000 -126.18838 -119.33731 6.85108 2.73408 -120.23924 996.64368
1380.0000 -127.20047 -119.51897 7.68150 2.77539 -119.64914 1062.13919
1385.0000 -128.45003 -121.00312 7.44691 2.77559 -119.64618 1083.80584
1390.0000 -126.84848 -121.52768 5.32080 2.69530 -120.79328 997.19863
1395.0000 -127.90172 -121.18047 6.72125 2.68294 -120.96995 1007.68432
1400.0000 -126.02596 -119.14756 6.87839 2.79318 -119.39487 1086.89819
1405.0000 -128.43788 -120.59717 7.84071 2.76099 -119.85481 1058.59418
1410.0000 -126.93216 -119.63293 7.29923 2.72967 -120.30226 1048.95058
1415.0000 -128.61374 -121.80862 6.80512 2.68066 -121.00250 1015.45255
1420.0000 -127.39424 -119.96741 7.42683 2.62578 -121.78653 992.24834
1425.0000 -128.50773 -122.12353 6.38420 2.68014 -121.00991 1035.59113
1430.0000 -126.97316 -118.72472 8.24844 2.64615 -121.49553 976.31201
1435.0000 -126.36243 -118.11524 8.24718 2.89997 -117.86925 1143.58766
1440.0000 -125.26628 -116.86865 8.39764 2.91112 -117.70999 1181.41101
1445.0000 -125.61566 -118.11114 7.50452 2.93166 -117.41651 1171.80552
1450.0000 -125.18388 -117.63254 7.55133 2.93950 -117.30451 1166.66533
1455.0000 -125.53499 -118.14888 7.38611 2.93834 -117.32102 1184.79794
1460.0000 -126.89421 -118.43950 8.45471 2.80915 -119.16675 1102.25632
1465.0000 -125.84735 -118.58556 7.26179 2.84843 -118.60565 1104.05788
1470.0000 -128.53989 -119.73403 8.80586 2.76149 -119.84767 1015.81640
1475.0000 -125.49790 -117.92461 7.57328 2.82712 -118.90998 1111.87310
1480.0000 -129.13979 -121.94748 7.19231 2.79526 -119.36526 1055.78348
1485.0000 -127.17986 -120.23477 6.94510 2.70404 -120.66841 999.44214
1490.0000 -126.44709 -118.98124 7.46586 2.79065 -119.43113 1081.47892
1495.0000 -125.42950 -117.33365 8.09585 2.85793 -118.46993 1108.70998
1500.0000 -125.10975 -117.22923 7.88052 2.95691 -117.05572 1211.28637
FREEZING PROCESS: loop number 7 T-loop= 1093.0000000000000
main_MD> interactions number 7 at Temperature= 1093.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.70256 3.65366 1.38972
force_rgl> df(natom) 2.53112 2.22462 -0.91136
1505.0000 -124.74045 -116.62451 8.11593 2.96233 -116.97828 1199.88333
1510.0000 -126.87920 -119.94218 6.93702 2.86723 -118.33700 1129.37560
1515.0000 -126.20037 -119.39549 6.80489 2.78693 -119.48417 1042.16400
1520.0000 -124.84466 -117.28782 7.55684 2.84532 -118.64999 1116.33805
1525.0000 -124.34937 -117.38133 6.96804 2.90591 -117.78445 1167.53175
1530.0000 -123.22996 -114.63919 8.59078 2.99432 -116.52139 1219.38079
1535.0000 -126.61402 -118.66131 7.95271 2.95391 -117.09871 1175.57808
1540.0000 -128.28566 -120.77354 7.51211 2.75792 -119.89863 1061.71370
1545.0000 -127.57371 -119.99421 7.57950 2.70548 -120.64786 1025.03429
1550.0000 -126.82096 -119.49929 7.32168 2.74780 -120.04332 1057.11842
1555.0000 -126.59850 -118.93074 7.66776 2.73615 -120.20973 1018.09197
1560.0000 -128.35522 -119.49707 8.85815 2.83836 -118.74942 1117.95762
1565.0000 -126.94497 -119.93379 7.01118 2.78990 -119.44179 1097.81790
1570.0000 -127.74608 -121.39272 6.35336 2.68729 -120.90768 1014.29487
1575.0000 -126.73050 -120.18057 6.54994 2.72441 -120.37745 1037.21014
1580.0000 -125.76941 -118.62996 7.13944 2.77520 -119.65181 1093.75045
1585.0000 -124.60448 -116.72991 7.87457 2.87263 -118.25984 1122.38406
1590.0000 -125.80068 -116.83316 8.96752 2.99399 -116.52602 1222.72300
1595.0000 -126.10093 -117.60217 8.49876 2.90321 -117.82293 1187.24542
1600.0000 -127.66295 -119.28665 8.37630 2.88442 -118.09135 1096.01801
1605.0000 -127.17073 -119.32791 7.84283 2.75850 -119.89037 1060.78931
1610.0000 -126.18888 -118.79598 7.39290 2.85546 -118.50522 1128.93288
1615.0000 -125.82971 -118.43302 7.39669 2.81642 -119.06285 1099.67163
1620.0000 -125.04960 -117.94101 7.10859 2.88281 -118.11445 1130.96406
1625.0000 -127.08812 -119.40458 7.68354 2.81295 -119.11249 1091.26319
1630.0000 -125.36398 -116.54867 8.81531 2.93931 -117.30716 1197.41060
1635.0000 -125.23364 -117.86694 7.36671 2.95662 -117.05992 1156.02268
1640.0000 -127.13788 -120.51172 6.62617 2.81644 -119.06261 1087.74897
1645.0000 -127.77272 -120.15780 7.61492 2.65930 -121.30764 972.46923
1650.0000 -126.03284 -117.54026 8.49258 2.84045 -118.71959 1106.32131
1655.0000 -124.83889 -115.39449 9.44441 2.94078 -117.28625 1202.60607
1660.0000 -125.98151 -117.02328 8.95823 3.02447 -116.09053 1241.13963
1665.0000 -127.86535 -120.63495 7.23040 2.85531 -118.50730 1117.50044
1670.0000 -126.16175 -119.15407 7.00768 2.80456 -119.23231 1079.75097
1675.0000 -126.28728 -118.98756 7.29972 2.82163 -118.98846 1060.59140
1680.0000 -126.68189 -117.83697 8.84492 2.84192 -118.69862 1150.50056
1685.0000 -125.25558 -118.76971 6.48588 2.83685 -118.77100 1069.42339
1690.0000 -125.84481 -117.78380 8.06101 2.87550 -118.21885 1122.58321
1695.0000 -126.68422 -118.50284 8.18137 2.90349 -117.81899 1173.10746
1700.0000 -126.89550 -117.88278 9.01272 2.95573 -117.07262 1167.03123
1705.0000 -127.35327 -118.89190 8.46137 2.90222 -117.83712 1171.19866
1710.0000 -128.06667 -120.54787 7.51880 2.78899 -119.45473 1126.76920
1715.0000 -125.13068 -117.97766 7.15302 2.78934 -119.44980 1067.59884
1720.0000 -127.29654 -119.42837 7.86817 2.83079 -118.85764 1098.13071
1725.0000 -126.24250 -120.51312 5.72937 2.78325 -119.53681 1104.77819
1730.0000 -126.85133 -118.09623 8.75510 2.77099 -119.71191 1018.30375
1735.0000 -126.98485 -116.62680 10.35805 2.81511 -119.08167 1092.57285
1740.0000 -125.15891 -117.84969 7.30921 2.94003 -117.29698 1209.68625
1745.0000 -126.08145 -118.74313 7.33832 2.82058 -119.00347 1108.20774
1750.0000 -128.61630 -121.22457 7.39172 2.80562 -119.21725 1100.72506
FREEZING PROCESS: loop number 8 T-loop= 1068.0000000000000
main_MD> interactions number 8 at Temperature= 1068.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00278 0.04599 -1.40988
force_rgl> df(natom) 1.64183 1.55016 -0.72920
1755.0000 -127.70369 -120.51310 7.19059 2.73528 -120.22214 1044.29091
1760.0000 -127.22891 -120.60219 6.62672 2.72060 -120.43187 1040.42660
1765.0000 -127.84476 -120.85643 6.98833 2.77039 -119.72051 1047.28005
1770.0000 -128.65945 -122.16866 6.49079 2.67150 -121.13334 998.80135
1775.0000 -128.86892 -122.00637 6.86255 2.61939 -121.87779 926.51815
1780.0000 -127.82683 -121.33054 6.49629 2.68719 -120.90918 1007.86452
1785.0000 -127.66108 -120.47836 7.18272 2.63740 -121.62049 974.91902
1790.0000 -127.47499 -118.81136 8.66362 2.72371 -120.38746 1034.94894
1795.0000 -126.15928 -120.83748 5.32181 2.78653 -119.48995 1079.80933
1800.0000 -126.23758 -119.20427 7.03331 2.78365 -119.53111 1103.46411
1805.0000 -127.27394 -121.55319 5.72074 2.70459 -120.66053 1009.66065
1810.0000 -127.39878 -120.04854 7.35024 2.67028 -121.15077 1002.36777
1815.0000 -126.81837 -120.09018 6.72819 2.75569 -119.93054 1018.44851
1820.0000 -127.69267 -120.44354 7.24913 2.73597 -120.21221 1026.82705
1825.0000 -127.14654 -120.81072 6.33582 2.68229 -120.97920 1022.69481
1830.0000 -127.04873 -118.18062 8.86811 2.77446 -119.66241 1055.33905
1835.0000 -125.66041 -119.57723 6.08317 2.79785 -119.32819 1078.21908
1840.0000 -124.21405 -116.08717 8.12688 2.90215 -117.83810 1139.67793
1845.0000 -127.34617 -118.86511 8.48106 2.91566 -117.64505 1179.68258
1850.0000 -127.26419 -120.06707 7.19712 2.88113 -118.13836 1132.67425
1855.0000 -128.23034 -121.11766 7.11268 2.71675 -120.48691 1016.49352
1860.0000 -126.13880 -119.15196 6.98684 2.76971 -119.73028 1061.47879
1865.0000 -125.53766 -119.49309 6.04456 2.80151 -119.27595 1062.08419
1870.0000 -128.12021 -120.00024 8.11997 2.79969 -119.30189 1103.22080
1875.0000 -127.02548 -120.76083 6.26464 2.73771 -120.18737 1044.74903
1880.0000 -128.09254 -119.44468 8.64786 2.75057 -120.00370 1046.50433
1885.0000 -127.15532 -119.49192 7.66341 2.80350 -119.24750 1139.48173
1890.0000 -126.73294 -120.04658 6.68637 2.79660 -119.34609 1063.74087
1895.0000 -127.25645 -120.43367 6.82277 2.74196 -120.12676 1013.65750
1900.0000 -125.25160 -116.71863 8.53297 2.86795 -118.32669 1124.96482
1905.0000 -126.91280 -119.06519 7.84760 2.88519 -118.08042 1146.69935
1910.0000 -126.84699 -117.33678 9.51022 2.82733 -118.90702 1110.89815
1915.0000 -126.20035 -118.42519 7.77516 2.80172 -119.27290 1096.34939
1920.0000 -127.81204 -119.87640 7.93565 2.78208 -119.55354 1057.88407
1925.0000 -127.65111 -118.71397 8.93714 2.80225 -119.26531 1058.51842
1930.0000 -126.37930 -117.88615 8.49315 2.87699 -118.19752 1116.15277
1935.0000 -126.28123 -118.01571 8.26551 2.93707 -117.33930 1164.00369
1940.0000 -125.16323 -118.37057 6.79267 2.90130 -117.85027 1138.73083
1945.0000 -126.71710 -117.85135 8.86574 2.87541 -118.22014 1134.65750
1950.0000 -125.62288 -118.61636 7.00651 2.81282 -119.11432 1061.87218
1955.0000 -127.44972 -119.83389 7.61584 2.80268 -119.25920 1047.77445
1960.0000 -126.95682 -119.09379 7.86303 2.78447 -119.51939 1038.43716
1965.0000 -126.28224 -119.34180 6.94044 2.79970 -119.30183 1075.48892
1970.0000 -124.86641 -116.45333 8.41308 2.92902 -117.45418 1190.00364
1975.0000 -126.48322 -119.77562 6.70759 2.81757 -119.04649 1091.84698
1980.0000 -126.48275 -119.61146 6.87129 2.71608 -120.49649 1022.92426
1985.0000 -127.14416 -120.34864 6.79552 2.73034 -120.29268 1015.97758
1990.0000 -127.81733 -119.82782 7.98951 2.76168 -119.84502 1041.72246
1995.0000 -127.72118 -119.98413 7.73704 2.74565 -120.07394 1061.58326
2000.0000 -125.78612 -117.43163 8.35449 2.87648 -118.20479 1116.09118
FREEZING PROCESS: loop number 9 T-loop= 1043.0000000000000
main_MD> interactions number 9 at Temperature= 1043.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.70378 0.71569 -1.71265
force_rgl> df(natom) 0.58403 0.83774 0.20923
2005.0000 -126.01812 -118.60776 7.41036 2.85756 -118.47523 1129.63541
2010.0000 -129.01335 -123.07989 5.93345 2.67268 -121.11642 992.09345
2015.0000 -128.45707 -121.64196 6.81511 2.60183 -122.12864 897.94122
2020.0000 -128.88107 -121.69104 7.19003 2.65784 -121.32843 1005.30559
2025.0000 -127.20500 -121.12574 6.07925 2.65956 -121.30388 998.45886
2030.0000 -127.94101 -120.84368 7.09733 2.67881 -121.02885 1018.52324
2035.0000 -127.09185 -119.03691 8.05494 2.77828 -119.60773 1091.25809
2040.0000 -127.84773 -120.13273 7.71500 2.74825 -120.03681 1061.37799
2045.0000 -126.53542 -118.83539 7.70003 2.78598 -119.49773 1091.10000
2050.0000 -127.43806 -121.19341 6.24465 2.71452 -120.51875 1000.29391
2055.0000 -125.05730 -117.40503 7.65227 2.79990 -119.29891 1028.62230
2060.0000 -125.77971 -119.14422 6.63549 2.88362 -118.10289 1126.75604
2065.0000 -126.30124 -118.55515 7.74609 2.78464 -119.51700 1092.50603
2070.0000 -127.92669 -121.44942 6.47727 2.79497 -119.36930 1084.86802
2075.0000 -128.34087 -120.66285 7.67801 2.71512 -120.51021 1041.58615
2080.0000 -127.85747 -119.74148 8.11599 2.81120 -119.13746 1077.83889
2085.0000 -127.18319 -120.14640 7.03680 2.73984 -120.15698 1059.61265
2090.0000 -128.69547 -121.94315 6.75232 2.64719 -121.48059 1002.73119
2095.0000 -129.82354 -122.19935 7.62418 2.63264 -121.68857 972.04319
2100.0000 -126.69636 -121.11510 5.58126 2.63334 -121.67845 987.32208
2105.0000 -127.15991 -118.66729 8.49262 2.76974 -119.72982 1075.11071
2110.0000 -126.91119 -118.73941 8.17178 2.82729 -118.90760 1109.74825
2115.0000 -127.30763 -119.91170 7.39593 2.83955 -118.73244 1096.51560
2120.0000 -126.90934 -119.59447 7.31487 2.76010 -119.86753 1063.10884
2125.0000 -127.94696 -120.65212 7.29485 2.76070 -119.85894 1096.51508
2130.0000 -128.38533 -119.96661 8.41873 2.78857 -119.46082 1082.80801
2135.0000 -127.54184 -120.12006 7.42177 2.67136 -121.13526 1003.67629
2140.0000 -126.55851 -119.75612 6.80239 2.75784 -119.89985 1061.47962
2145.0000 -126.42496 -118.30976 8.11520 2.75224 -119.97983 1066.85721
2150.0000 -128.04588 -120.76117 7.28471 2.79714 -119.33837 1101.48104
2155.0000 -127.80615 -121.28604 6.52011 2.65650 -121.34760 975.67221
2160.0000 -129.52851 -122.33987 7.18864 2.62884 -121.74280 944.16963
2165.0000 -128.51496 -121.26220 7.25276 2.62983 -121.72866 964.30812
2170.0000 -127.91080 -119.53080 8.38001 2.73052 -120.29015 1028.96918
2175.0000 -127.52701 -121.15340 6.37361 2.75064 -120.00266 1041.80678
2180.0000 -127.88113 -120.26312 7.61801 2.72816 -120.32379 1028.62136
2185.0000 -127.67243 -120.28240 7.39003 2.72955 -120.30400 1030.05652
2190.0000 -127.54180 -119.97053 7.57128 2.75724 -119.90841 1043.48140
2195.0000 -128.78286 -121.64402 7.13884 2.71680 -120.48608 975.11142
2200.0000 -127.07105 -119.12718 7.94388 2.77961 -119.58883 1057.41303
2205.0000 -125.99949 -119.15438 6.84510 2.85338 -118.53486 1122.63757
2210.0000 -125.38815 -118.16664 7.22151 2.86681 -118.34302 1140.78271
2215.0000 -127.97017 -118.90654 9.06363 2.80299 -119.25477 1081.85821
2220.0000 -125.73937 -118.06454 7.67483 2.81060 -119.14601 1079.40473
2225.0000 -126.97765 -120.76711 6.21054 2.82077 -119.00080 1101.62232
2230.0000 -126.61852 -119.60852 7.01000 2.71085 -120.57121 1020.99492
2235.0000 -127.36667 -119.96472 7.40194 2.74045 -120.14819 1051.48862
2240.0000 -126.64400 -120.03644 6.60756 2.72359 -120.38913 1033.12598
2245.0000 -127.03786 -120.26134 6.77652 2.73021 -120.29456 1048.72695
2250.0000 -126.55965 -119.14237 7.41728 2.79184 -119.41409 1033.26199
FREEZING PROCESS: loop number 10 T-loop= 1018.0000000000000
main_MD> interactions number 10 at Temperature= 1018.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65599 1.67259 -1.78489
force_rgl> df(natom) -1.20296 -0.97094 0.11039
2255.0000 -128.59042 -121.06236 7.52807 2.76516 -119.79524 1049.98689
2260.0000 -128.42999 -122.27762 6.15237 2.64588 -121.49941 994.86388
2265.0000 -127.96360 -122.97713 4.98647 2.55644 -122.77709 898.71238
2270.0000 -127.82077 -121.42361 6.39716 2.62373 -121.81577 958.49638
2275.0000 -128.14499 -122.41544 5.72955 2.65079 -121.42915 951.01460
2280.0000 -129.17404 -122.29825 6.87579 2.58844 -122.31994 928.70898
2285.0000 -127.34472 -119.83555 7.50916 2.65022 -121.43741 956.86669
2290.0000 -126.85305 -120.27053 6.58253 2.72153 -120.41863 1021.49413
2295.0000 -127.82839 -122.27608 5.55231 2.64236 -121.54964 946.91971
2300.0000 -129.10688 -122.68819 6.41869 2.63121 -121.70887 965.66359
2305.0000 -128.44186 -123.28523 5.15663 2.54950 -122.87622 905.26527
2310.0000 -127.13291 -120.07011 7.06280 2.66976 -121.15825 973.44863
2315.0000 -126.66370 -120.36591 6.29778 2.70244 -120.69130 987.75575
2320.0000 -128.47920 -122.35735 6.12185 2.71138 -120.56356 973.70230
2325.0000 -128.66983 -120.48961 8.18022 2.62578 -121.78648 1001.06599
2330.0000 -127.95779 -120.16325 7.79454 2.72041 -120.43464 1010.51478
2335.0000 -127.92905 -120.88893 7.04012 2.73750 -120.19039 1027.46850
2340.0000 -130.15752 -122.53004 7.62748 2.62316 -121.82399 987.34312
2345.0000 -127.66623 -120.69693 6.96930 2.61858 -121.88943 973.23425
2350.0000 -124.89375 -118.07595 6.81779 2.71945 -120.44829 1023.20723
2355.0000 -128.60259 -121.73328 6.86931 2.73154 -120.27553 1018.29096
2360.0000 -129.33900 -122.28235 7.05665 2.55384 -122.81426 884.86817
2365.0000 -128.56768 -121.17102 7.39666 2.60994 -122.01281 965.00033
2370.0000 -127.96607 -120.28270 7.68337 2.70401 -120.66883 991.58194
2375.0000 -126.58040 -119.10829 7.47211 2.75317 -119.96658 1059.36824
2380.0000 -128.32329 -121.40566 6.91763 2.72436 -120.37815 1032.47706
2385.0000 -128.07505 -122.22204 5.85301 2.55959 -122.73212 890.13998
2390.0000 -128.59019 -122.03174 6.55846 2.61344 -121.96283 931.12969
2395.0000 -126.67076 -119.77102 6.89974 2.65748 -121.33356 939.21722
2400.0000 -129.04304 -123.18703 5.85601 2.62729 -121.76487 958.93367
2405.0000 -128.00730 -121.83833 6.16896 2.55227 -122.83673 879.51526
2410.0000 -126.88917 -119.07512 7.81405 2.65978 -121.30070 972.05456
2415.0000 -125.84157 -117.74241 8.09916 2.80998 -119.15493 1094.39627
2420.0000 -128.97336 -122.22985 6.74350 2.68698 -120.91213 997.66052
2425.0000 -129.85641 -122.48030 7.37611 2.60088 -122.14229 928.63746
2430.0000 -128.71648 -121.98977 6.72671 2.66712 -121.19586 971.45332
2435.0000 -127.51690 -121.97531 5.54160 2.60330 -122.10773 933.87937
2440.0000 -127.73300 -121.74383 5.98917 2.69614 -120.78124 992.69327
2445.0000 -126.59916 -118.78316 7.81600 2.70062 -120.71723 1012.77793
2450.0000 -126.13580 -117.48162 8.65418 2.83000 -118.86891 1074.17100
2455.0000 -125.22845 -118.11784 7.11062 2.84025 -118.72248 1134.35836
2460.0000 -127.85189 -120.02428 7.82761 2.82891 -118.88453 1110.30102
2465.0000 -126.66064 -118.20223 8.45841 2.76912 -119.73868 1108.15321
2470.0000 -125.62719 -118.42078 7.20641 2.85206 -118.55370 1100.68543
2475.0000 -127.49089 -120.56578 6.92512 2.73184 -120.27130 1003.17692
2480.0000 -126.58311 -119.86835 6.71476 2.76961 -119.73171 1067.86880
2485.0000 -127.37952 -119.63599 7.74354 2.82368 -118.95914 1082.38987
2490.0000 -126.38516 -119.83213 6.55303 2.78482 -119.51435 1096.16381
2495.0000 -128.08647 -120.76888 7.31759 2.71223 -120.55142 1016.89274
2500.0000 -126.29815 -119.35249 6.94566 2.75143 -119.99146 1026.77882
FREEZING PROCESS: loop number 11 T-loop= 993.00000000000000
main_MD> interactions number 11 at Temperature= 993.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87983 2.05188 0.63028
force_rgl> df(natom) -3.55862 3.68418 3.41009
2505.0000 -126.88961 -119.91208 6.97754 2.77763 -119.61705 1085.11566
2510.0000 -126.45624 -119.32487 7.13137 2.81190 -119.12754 1106.84157
2515.0000 -129.11292 -121.67033 7.44259 2.70631 -120.63602 1010.54509
2520.0000 -127.30809 -120.45370 6.85439 2.67145 -121.13406 1025.08756
2525.0000 -128.28670 -121.66128 6.62541 2.74115 -120.13832 1025.56497
2530.0000 -129.06203 -122.92673 6.13530 2.63979 -121.58640 971.66252
2535.0000 -128.32199 -121.35213 6.96986 2.68304 -120.96843 968.04067
2540.0000 -128.39559 -122.68260 5.71300 2.62828 -121.75075 934.39236
2545.0000 -128.71510 -121.68989 7.02521 2.62685 -121.77117 941.23078
2550.0000 -126.72501 -120.63933 6.08568 2.63076 -121.71530 962.06424
2555.0000 -126.24827 -118.61037 7.63790 2.77009 -119.72474 1048.69994
2560.0000 -125.81857 -117.69709 8.12148 2.91454 -117.66111 1158.96540
2565.0000 -125.33425 -119.93877 5.39548 2.85561 -118.50297 1102.44181
2570.0000 -125.88810 -118.23647 7.65163 2.83653 -118.77563 1088.34572
2575.0000 -126.12759 -118.80599 7.32160 2.82212 -118.98143 1087.37000
2580.0000 -127.94432 -119.08666 8.85766 2.81169 -119.13047 1112.74853
2585.0000 -128.52115 -119.22499 9.29616 2.82829 -118.89335 1124.09287
2590.0000 -128.50650 -120.84059 7.66591 2.68442 -120.94873 1023.90398
2595.0000 -126.65880 -120.92737 5.73143 2.70701 -120.62599 991.20119
2600.0000 -126.83136 -120.02147 6.80988 2.69395 -120.81265 1008.28518
2605.0000 -128.24835 -119.81586 8.43249 2.79659 -119.34622 1095.72829
2610.0000 -126.38916 -120.45973 5.92943 2.76028 -119.86496 1027.54977
2615.0000 -127.21798 -121.98547 5.23251 2.64793 -121.47001 968.69001
2620.0000 -129.53556 -121.40144 8.13412 2.61936 -121.87829 953.64496
2625.0000 -128.22672 -122.07501 6.15171 2.59736 -122.19257 964.64821
2630.0000 -129.26390 -123.44661 5.81728 2.60573 -122.07300 946.00626
2635.0000 -128.45865 -123.31574 5.14291 2.50749 -123.47642 866.74288
2640.0000 -127.37123 -119.97519 7.39604 2.63920 -121.59484 944.58859
2645.0000 -128.27684 -122.33415 5.94269 2.63537 -121.64954 978.79671
2650.0000 -126.19931 -120.28597 5.91334 2.66267 -121.25949 966.91885
2655.0000 -127.61022 -120.62053 6.98969 2.67011 -121.15316 962.27572
2660.0000 -126.48963 -119.52123 6.96840 2.78505 -119.51113 1063.76646
2665.0000 -126.54897 -119.37160 7.17737 2.78974 -119.44407 1108.46391
2670.0000 -127.64949 -119.74008 7.90941 2.75713 -119.91001 1065.17129
2675.0000 -126.52794 -118.76434 7.76360 2.77296 -119.68377 1052.69862
2680.0000 -129.66907 -121.81059 7.85849 2.68635 -120.92119 1005.64571
2685.0000 -128.00488 -119.80270 8.20218 2.68413 -120.95284 976.81330
2690.0000 -128.44032 -122.38168 6.05864 2.69953 -120.73285 983.87285
2695.0000 -129.44001 -122.16931 7.27070 2.62893 -121.74150 945.12216
2700.0000 -129.17663 -122.91773 6.25889 2.66018 -121.29501 979.68204
2705.0000 -128.69354 -121.85241 6.84112 2.56403 -122.66873 903.72810
2710.0000 -128.38284 -120.23186 8.15097 2.70810 -120.61044 1010.85301
2715.0000 -126.80490 -118.94780 7.85710 2.77481 -119.65738 1041.03559
2720.0000 -127.40830 -120.05248 7.35583 2.75499 -119.94055 1046.13150
2725.0000 -127.92025 -121.45202 6.46823 2.67775 -121.04406 998.17404
2730.0000 -129.06465 -121.16035 7.90430 2.61533 -121.93586 934.61169
2735.0000 -127.16204 -120.15073 7.01130 2.66815 -121.18123 1023.64586
2740.0000 -127.40346 -119.40481 7.99866 2.76752 -119.76156 1030.65855
2745.0000 -126.60627 -118.91476 7.69150 2.75750 -119.90463 1058.69484
2750.0000 -128.14841 -120.94012 7.20828 2.79994 -119.29842 1067.75451
FREEZING PROCESS: loop number 12 T-loop= 968.00000000000000
main_MD> interactions number 12 at Temperature= 968.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.83527 1.06079 0.01361
force_rgl> df(natom) -0.25832 1.65766 -1.17917
2755.0000 -127.03378 -119.00465 8.02913 2.80472 -119.23007 1068.90140
2760.0000 -127.00926 -119.65390 7.35535 2.72503 -120.36854 1016.52904
2765.0000 -128.67562 -120.60362 8.07200 2.71530 -120.50764 993.18027
2770.0000 -128.43529 -121.84022 6.59506 2.64042 -121.57740 963.05850
2775.0000 -128.80227 -121.61331 7.18896 2.63610 -121.63912 935.08024
2780.0000 -129.95554 -122.85943 7.09611 2.60664 -122.05998 949.48593
2785.0000 -128.50727 -121.88378 6.62350 2.54113 -122.99590 915.59046
2790.0000 -128.49103 -120.60862 7.88242 2.67371 -121.10174 1000.43035
2795.0000 -128.03705 -121.26954 6.76752 2.65965 -121.30261 982.53923
2800.0000 -129.92242 -122.66613 7.25629 2.61895 -121.88410 944.07007
2805.0000 -129.14072 -122.63689 6.50383 2.58354 -122.39003 944.60399
2810.0000 -128.92539 -122.86073 6.06466 2.51620 -123.35199 867.47391
2815.0000 -128.62241 -121.63497 6.98744 2.56563 -122.64580 920.38114
2820.0000 -128.24068 -122.19299 6.04769 2.61096 -121.99820 942.11262
2825.0000 -127.95750 -121.33785 6.61966 2.61779 -121.90072 948.99632
2830.0000 -127.85264 -118.53018 9.32247 2.75083 -120.00003 1044.81251
2835.0000 -127.73069 -119.83071 7.89998 2.84354 -118.67542 1116.15996
2840.0000 -128.92054 -122.00548 6.91506 2.67894 -121.02698 976.40725
2845.0000 -127.01737 -120.26910 6.74827 2.69640 -120.77762 1029.39131
2850.0000 -128.33300 -120.18913 8.14387 2.75130 -119.99330 1058.23187
2855.0000 -129.07108 -122.26996 6.80112 2.62171 -121.84464 925.75855
2860.0000 -128.55863 -121.01540 7.54322 2.71052 -120.57592 1026.13945
2865.0000 -127.57481 -121.65503 5.91978 2.74935 -120.02111 1051.59437
2870.0000 -130.07590 -123.11735 6.95855 2.59739 -122.19216 966.22809
2875.0000 -129.38659 -122.48807 6.89852 2.55080 -122.85768 886.70959
2880.0000 -128.58225 -121.08622 7.49603 2.62897 -121.74089 983.96131
2885.0000 -126.65073 -120.95678 5.69394 2.66212 -121.26729 1008.86188
2890.0000 -128.91862 -120.82404 8.09457 2.75282 -119.97150 1061.42798
2895.0000 -128.41436 -120.65503 7.75933 2.71126 -120.56529 993.30569
2900.0000 -128.23015 -121.60943 6.62072 2.70546 -120.64822 1020.07843
2905.0000 -128.62431 -121.67510 6.94921 2.58528 -122.36519 884.22236
2910.0000 -127.20558 -120.45751 6.74807 2.75396 -119.95519 1017.85563
2915.0000 -127.84767 -121.13550 6.71217 2.74346 -120.10525 1024.23676
2920.0000 -129.17052 -123.22790 5.94262 2.59386 -122.24256 938.95222
2925.0000 -129.16731 -122.56606 6.60125 2.50438 -123.52094 880.91358
2930.0000 -130.07392 -123.63467 6.43925 2.53763 -123.04580 865.69913
2935.0000 -129.67477 -122.46253 7.21224 2.54975 -122.87273 909.53951
2940.0000 -129.76839 -123.31199 6.45640 2.53343 -123.10595 890.98621
2945.0000 -129.75247 -122.21766 7.53481 2.59909 -122.16785 944.55477
2950.0000 -130.34293 -122.82575 7.51718 2.52251 -123.26194 859.06194
2955.0000 -128.26379 -122.92566 5.33812 2.56443 -122.66295 884.56516
2960.0000 -127.67865 -120.88664 6.79201 2.63436 -121.66393 944.49220
2965.0000 -126.99122 -120.76431 6.22691 2.67495 -121.08407 959.95136
2970.0000 -127.74598 -121.15598 6.59001 2.65972 -121.30160 950.54435
2975.0000 -128.30707 -121.43386 6.87321 2.64767 -121.47379 1010.06869
2980.0000 -128.25359 -121.89815 6.35544 2.62532 -121.79314 952.63862
2985.0000 -127.19943 -120.72771 6.47172 2.71240 -120.54899 951.15152
2990.0000 -128.57921 -121.62823 6.95098 2.70061 -120.71747 1006.91176
2995.0000 -127.06580 -120.38109 6.68471 2.64451 -121.51894 980.45356
3000.0000 -127.97466 -122.39973 5.57493 2.62071 -121.85894 924.97793
FREEZING PROCESS: loop number 13 T-loop= 943.00000000000000
main_MD> interactions number 13 at Temperature= 943.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60882 4.80846 -0.82266
force_rgl> df(natom) 0.44704 0.51250 2.11763
3005.0000 -129.32043 -122.14479 7.17564 2.57441 -122.52038 891.59132
3010.0000 -129.56200 -123.30817 6.25383 2.59520 -122.22339 901.95363
3015.0000 -128.30051 -122.42285 5.87765 2.64966 -121.44538 955.95748
3020.0000 -128.32292 -121.81936 6.50356 2.59129 -122.27930 938.80313
3025.0000 -130.23435 -123.55283 6.68152 2.53803 -123.04014 904.27257
3030.0000 -128.27411 -121.23234 7.04177 2.55311 -122.82473 915.99581
3035.0000 -129.59725 -123.81089 5.78636 2.59340 -122.24914 906.91678
3040.0000 -130.04973 -123.96867 6.08107 2.49730 -123.62205 873.00891
3045.0000 -131.24003 -122.97501 8.26502 2.44089 -124.42799 818.46087
3050.0000 -126.85899 -120.08910 6.76989 2.63977 -121.58665 986.07509
3055.0000 -129.29593 -123.56453 5.73140 2.63301 -121.68322 959.03071
3060.0000 -129.62887 -123.54132 6.08754 2.44825 -124.32282 818.78805
3065.0000 -129.11786 -123.56220 5.55566 2.49937 -123.59243 837.68424
3070.0000 -128.88472 -121.31894 7.56578 2.56498 -122.65515 882.21465
3075.0000 -129.05316 -121.86628 7.18688 2.63162 -121.70303 959.17440
3080.0000 -129.02342 -121.41195 7.61148 2.60536 -122.07818 940.83144
3085.0000 -128.08296 -121.36742 6.71554 2.62005 -121.86840 921.20743
3090.0000 -127.77533 -121.99662 5.77872 2.68378 -120.95787 1018.45689
3095.0000 -129.29940 -122.08400 7.21539 2.61241 -121.97758 927.28156
3100.0000 -127.77339 -122.34958 5.42381 2.59622 -122.20889 920.71972
3105.0000 -129.49691 -122.86503 6.63188 2.56253 -122.69016 921.79458
3110.0000 -128.62239 -122.69263 5.92976 2.52191 -123.27042 880.58148
3115.0000 -129.28151 -124.05457 5.22694 2.50907 -123.45389 866.65026
3120.0000 -129.50381 -124.03881 5.46500 2.50443 -123.52024 873.03600
3125.0000 -129.42847 -123.71688 5.71159 2.46771 -124.04483 819.76527
3130.0000 -127.31153 -120.68126 6.63027 2.60626 -122.06537 946.14181
3135.0000 -126.23374 -119.52955 6.70419 2.73612 -120.21007 1063.05192
3140.0000 -126.31723 -120.03568 6.28154 2.77649 -119.63333 1070.77025
3145.0000 -127.57416 -121.04989 6.52427 2.72355 -120.38975 1019.26199
3150.0000 -127.38591 -121.58214 5.80377 2.68102 -120.99726 956.51480
3155.0000 -128.02096 -122.40777 5.61320 2.64611 -121.49603 953.16848
3160.0000 -127.51560 -121.57984 5.93576 2.65280 -121.40050 977.99333
3165.0000 -128.88538 -122.65000 6.23538 2.58449 -122.37638 921.84401
3170.0000 -129.99455 -122.64119 7.35336 2.63603 -121.64009 943.14118
3175.0000 -129.48877 -123.17582 6.31295 2.59207 -122.26809 929.11423
3180.0000 -128.82331 -123.19334 5.62996 2.53286 -123.11400 881.00392
3185.0000 -129.46736 -123.60627 5.86110 2.53402 -123.09745 910.77262
3190.0000 -130.12431 -124.48034 5.64397 2.45907 -124.16816 823.84120
3195.0000 -130.71786 -123.72440 6.99346 2.45783 -124.18600 843.76327
3200.0000 -130.51333 -124.47080 6.04253 2.44829 -124.32219 820.52992
3205.0000 -129.87524 -123.59736 6.27788 2.43561 -124.50334 842.97853
3210.0000 -129.14954 -122.71234 6.43720 2.55573 -122.78722 920.79331
3215.0000 -128.97957 -122.89623 6.08334 2.65591 -121.35600 953.73731
3220.0000 -128.03658 -121.18772 6.84886 2.62779 -121.75776 932.34195
3225.0000 -129.39225 -121.85465 7.53760 2.61690 -121.91335 954.34482
3230.0000 -129.14974 -122.90367 6.24607 2.59119 -122.28061 901.38630
3235.0000 -128.72333 -122.85784 5.86549 2.56877 -122.60098 909.73967
3240.0000 -128.26379 -122.41769 5.84610 2.52441 -123.23474 896.49237
3245.0000 -129.00943 -122.76390 6.24553 2.55109 -122.85353 874.79181
3250.0000 -128.58176 -122.73368 5.84808 2.60816 -122.03826 960.54027
FREEZING PROCESS: loop number 14 T-loop= 918.00000000000000
main_MD> interactions number 14 at Temperature= 918.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24458 1.64238 1.53135
force_rgl> df(natom) -1.93210 2.31441 1.08678
3255.0000 -128.90169 -121.17690 7.72479 2.59421 -122.23757 951.62123
3260.0000 -128.39861 -120.93363 7.46498 2.70157 -120.70367 966.68762
3265.0000 -129.39734 -122.31386 7.08348 2.61247 -121.97673 952.51238
3270.0000 -129.25183 -121.91925 7.33258 2.59981 -122.15750 953.03777
3275.0000 -129.34912 -121.52772 7.82140 2.60819 -122.03787 943.17434
3280.0000 -129.93058 -123.93959 5.99099 2.59125 -122.27985 943.00211
3285.0000 -128.82855 -122.86757 5.96098 2.50746 -123.47690 873.73363
3290.0000 -127.92105 -121.82775 6.09330 2.64250 -121.54760 983.52951
3295.0000 -129.26320 -122.62056 6.64264 2.62057 -121.86087 935.51988
3300.0000 -129.78803 -124.00892 5.77911 2.52537 -123.22100 870.35618
3305.0000 -129.25359 -121.93202 7.32157 2.49477 -123.65819 834.16040
3310.0000 -127.01230 -119.30496 7.70733 2.67879 -121.02916 982.79465
3315.0000 -128.89153 -121.09790 7.79363 2.70984 -120.58563 1029.37725
3320.0000 -127.59808 -121.25836 6.33971 2.62059 -121.86066 933.50132
3325.0000 -127.13658 -121.69985 5.43673 2.69320 -120.82337 999.75560
3330.0000 -128.72780 -122.15950 6.56830 2.60114 -122.13849 914.99358
3335.0000 -129.91614 -123.62305 6.29309 2.60560 -122.07486 908.36309
3340.0000 -128.69418 -123.30798 5.38620 2.52145 -123.27699 840.66477
3345.0000 -129.75644 -123.14009 6.61635 2.53048 -123.14797 858.46924
3350.0000 -126.86243 -121.93792 4.92451 2.57779 -122.47213 891.67933
3355.0000 -129.10639 -122.46078 6.64562 2.58693 -122.34152 906.42693
3360.0000 -128.70479 -123.44298 5.26181 2.55449 -122.80501 861.40598
3365.0000 -126.34975 -120.36238 5.98737 2.59442 -122.23453 896.42715
3370.0000 -128.37020 -123.31067 5.05953 2.71201 -120.55452 972.76483
3375.0000 -129.36746 -123.22988 6.13758 2.52231 -123.26480 873.65856
3380.0000 -128.73796 -123.70583 5.03213 2.57532 -122.50745 907.33617
3385.0000 -130.11980 -123.00452 7.11527 2.52704 -123.19715 860.23371
3390.0000 -130.04128 -123.50816 6.53312 2.49582 -123.64322 853.96274
3395.0000 -128.69926 -122.55432 6.14494 2.56485 -122.65692 920.35784
3400.0000 -129.39001 -121.49088 7.89913 2.66066 -121.28818 991.96842
3405.0000 -128.42889 -121.25512 7.17377 2.65263 -121.40285 978.40227
3410.0000 -129.79370 -121.69075 8.10295 2.61209 -121.98209 946.97008
3415.0000 -129.90733 -123.66680 6.24052 2.57675 -122.48694 899.16733
3420.0000 -129.45696 -123.25729 6.19967 2.46079 -124.14362 838.97684
3425.0000 -130.54658 -125.07891 5.46767 2.49625 -123.63707 878.56216
3430.0000 -129.85648 -123.29299 6.56348 2.51328 -123.39371 869.56309
3435.0000 -130.34443 -124.42948 5.91494 2.51450 -123.37629 876.15231
3440.0000 -131.05040 -125.32675 5.72365 2.38260 -125.26070 775.53492
3445.0000 -130.00090 -124.09568 5.90522 2.42976 -124.58696 816.75491
3450.0000 -128.17279 -122.09939 6.07340 2.52214 -123.26718 890.99548
3455.0000 -128.26470 -121.23918 7.02552 2.68022 -121.00877 981.60080
3460.0000 -126.96433 -120.81169 6.15264 2.67424 -121.09416 934.20914
3465.0000 -128.33696 -122.04388 6.29308 2.65464 -121.37416 987.92449
3470.0000 -128.66735 -121.99912 6.66824 2.59002 -122.29745 940.05681
3475.0000 -130.15936 -122.92843 7.23093 2.62060 -121.86050 951.03540
3480.0000 -129.72865 -124.17209 5.55656 2.52021 -123.29477 872.79645
3485.0000 -129.00080 -123.14772 5.85308 2.50885 -123.45702 853.54231
3490.0000 -128.83460 -121.94317 6.89143 2.62794 -121.75569 926.52029
3495.0000 -130.00671 -122.95183 7.05488 2.52427 -123.23668 860.00272
3500.0000 -129.46750 -123.79893 5.66857 2.54500 -122.94051 899.55303
FREEZING PROCESS: loop number 15 T-loop= 893.00000000000000
main_MD> interactions number 15 at Temperature= 893.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48173 1.10369 -0.77104
force_rgl> df(natom) -1.37157 0.64765 -1.90713
3505.0000 -128.47578 -122.12719 6.34859 2.53242 -123.12030 866.01310
3510.0000 -129.08269 -123.05462 6.02807 2.59281 -122.25761 905.87352
3515.0000 -129.72578 -122.90657 6.81921 2.53511 -123.08181 861.12911
3520.0000 -128.38733 -122.05546 6.33187 2.56008 -122.72514 916.87196
3525.0000 -128.24883 -122.70713 5.54170 2.60279 -122.11497 935.61221
3530.0000 -129.49423 -122.78569 6.70854 2.54370 -122.95914 905.03246
3535.0000 -128.96657 -123.29167 5.67491 2.51303 -123.39727 846.98979
3540.0000 -129.33244 -122.94233 6.39011 2.53840 -123.03485 889.47325
3545.0000 -129.02181 -123.60856 5.41325 2.53067 -123.14531 848.37258
3550.0000 -128.96852 -121.89881 7.06970 2.54125 -122.99415 888.90023
3555.0000 -129.10648 -122.62856 6.47791 2.55427 -122.80808 891.04192
3560.0000 -127.79374 -121.69598 6.09775 2.57884 -122.45718 889.55423
3565.0000 -130.81893 -125.09271 5.72622 2.49754 -123.61858 865.99654
3570.0000 -129.98439 -124.36695 5.61744 2.47926 -123.87974 873.19255
3575.0000 -127.60353 -122.34334 5.26020 2.48352 -123.81885 863.22659
3580.0000 -127.86836 -123.14399 4.72437 2.51560 -123.36068 858.99167
3585.0000 -129.55016 -121.65066 7.89950 2.51883 -123.31451 889.18418
3590.0000 -128.66794 -122.43461 6.23333 2.62067 -121.85944 959.11874
3595.0000 -128.97101 -122.35884 6.61217 2.56261 -122.68904 886.86246
3600.0000 -128.24028 -122.66381 5.57647 2.62609 -121.78213 930.99106
3605.0000 -128.29368 -120.46943 7.82425 2.63349 -121.67633 919.34299
3610.0000 -128.70540 -121.57242 7.13298 2.69899 -120.74062 980.84341
3615.0000 -129.61365 -123.34560 6.26804 2.57868 -122.45947 907.73538
3620.0000 -128.83705 -121.97825 6.85880 2.55143 -122.84869 892.61915
3625.0000 -129.63178 -122.55214 7.07964 2.57392 -122.52742 913.77012
3630.0000 -129.34243 -123.07239 6.27004 2.57567 -122.50244 932.74012
3635.0000 -126.68983 -121.43220 5.25763 2.59019 -122.29503 915.71781
3640.0000 -128.72082 -121.69843 7.02239 2.66818 -121.18073 935.36352
3645.0000 -128.59104 -123.09327 5.49776 2.55398 -122.81233 901.82718
3650.0000 -129.97510 -123.67083 6.30427 2.51667 -123.34529 887.92124
3655.0000 -129.48774 -123.40901 6.07872 2.48931 -123.73619 853.56205
3660.0000 -128.07603 -122.12595 5.95007 2.55712 -122.76747 889.12724
3665.0000 -129.37215 -122.62296 6.74919 2.59055 -122.28981 910.93345
3670.0000 -128.46618 -122.06052 6.40566 2.59126 -122.27968 913.47214
3675.0000 -129.34795 -123.87092 5.47703 2.49435 -123.66425 856.72380
3680.0000 -128.08535 -122.47027 5.61507 2.48176 -123.84410 837.63377
3685.0000 -128.00266 -121.72607 6.27659 2.61484 -121.94280 968.36625
3690.0000 -128.63276 -121.22444 7.40832 2.71235 -120.54966 1013.75835
3695.0000 -127.83478 -121.76413 6.07065 2.62435 -121.80688 916.51838
3700.0000 -127.49848 -121.17917 6.31931 2.61320 -121.96626 925.53552
3705.0000 -128.39707 -121.73754 6.65953 2.59234 -122.26419 912.61437
3710.0000 -127.69126 -121.39179 6.29947 2.69506 -120.79666 983.25208
3715.0000 -127.22705 -121.43056 5.79649 2.70409 -120.66771 958.47985
3720.0000 -127.50466 -121.18225 6.32241 2.63339 -121.67779 938.83280
3725.0000 -129.93390 -124.19792 5.73598 2.61874 -121.88707 969.68924
3730.0000 -128.89938 -124.24798 4.65140 2.45106 -124.28273 839.86733
3735.0000 -128.29982 -121.52789 6.77192 2.53544 -123.07712 917.56407
3740.0000 -128.81552 -122.04840 6.76713 2.63776 -121.61535 972.23497
3745.0000 -128.08330 -121.19495 6.88834 2.66248 -121.26213 969.45440
3750.0000 -128.80690 -123.24920 5.55770 2.60941 -122.02045 942.95988
FREEZING PROCESS: loop number 16 T-loop= 868.00000000000000
main_MD> interactions number 16 at Temperature= 868.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93650 -3.13106 1.35265
force_rgl> df(natom) -5.44730 -0.78495 -11.78914
3755.0000 -129.64700 -124.11152 5.53547 2.49077 -123.71528 867.38539
3760.0000 -131.10666 -124.44392 6.66273 2.46631 -124.06482 818.82196
3765.0000 -128.94166 -123.66227 5.27939 2.45239 -124.26367 849.39913
3770.0000 -130.00289 -124.56350 5.43939 2.42686 -124.62843 774.10674
3775.0000 -129.42721 -123.59330 5.83390 2.45909 -124.16788 828.61361
3780.0000 -129.34463 -122.65981 6.68482 2.52819 -123.18079 865.70217
3785.0000 -129.22710 -122.28294 6.94416 2.59393 -122.24151 900.38851
3790.0000 -130.26236 -124.25824 6.00412 2.54734 -122.90716 887.04782
3795.0000 -130.25154 -124.80011 5.45143 2.48284 -123.82858 842.22470
3800.0000 -131.75584 -126.43578 5.32006 2.37033 -125.43604 778.13949
3805.0000 -131.41201 -125.91612 5.49589 2.34396 -125.81270 763.45840
3810.0000 -131.04127 -124.42982 6.61145 2.39797 -125.04111 794.60279
3815.0000 -130.00720 -125.04610 4.96111 2.44861 -124.31762 834.71728
3820.0000 -129.91582 -124.31805 5.59777 2.44336 -124.39274 827.84934
3825.0000 -130.55456 -123.87718 6.67739 2.45492 -124.22746 812.05141
3830.0000 -130.47955 -125.48038 4.99917 2.43462 -124.51747 801.92450
3835.0000 -131.07582 -126.01285 5.06297 2.37115 -125.42426 749.83282
3840.0000 -130.77369 -124.47834 6.29535 2.38294 -125.25587 770.63259
3845.0000 -130.62582 -124.61966 6.00616 2.45287 -124.25685 835.50409
3850.0000 -130.12910 -124.50206 5.62704 2.40743 -124.90606 795.63903
3855.0000 -130.21740 -124.51247 5.70493 2.41478 -124.80105 794.82663
3860.0000 -128.99109 -123.72382 5.26727 2.49518 -123.65227 826.37112
3865.0000 -130.24027 -124.18200 6.05828 2.44578 -124.35812 815.09258
3870.0000 -130.80219 -125.37560 5.42659 2.40674 -124.91588 778.54810
3875.0000 -130.87014 -125.46316 5.40698 2.39458 -125.08960 791.48500
3880.0000 -128.31773 -121.51187 6.80586 2.45262 -124.26040 821.57352
3885.0000 -128.14344 -122.45848 5.68495 2.62333 -121.82155 971.93158
3890.0000 -129.54994 -123.80342 5.74652 2.53342 -123.10598 878.03301
3895.0000 -130.57227 -124.72786 5.84441 2.49228 -123.69379 843.85149
3900.0000 -128.85727 -124.64094 4.21633 2.44133 -124.42173 783.55352
3905.0000 -128.13147 -122.20895 5.92252 2.48689 -123.77084 840.12795
3910.0000 -128.78094 -122.42979 6.35116 2.56199 -122.69780 922.91923
3915.0000 -128.65695 -122.48413 6.17282 2.56321 -122.68045 897.93953
3920.0000 -128.60927 -123.26748 5.34178 2.59166 -122.27392 917.84357
3925.0000 -131.45660 -124.64283 6.81377 2.47020 -124.00927 859.50565
3930.0000 -129.55016 -124.90968 4.64048 2.42578 -124.64377 791.65503
3935.0000 -131.35931 -124.95487 6.40444 2.43305 -124.53990 795.31820
3940.0000 -129.70337 -124.24374 5.45963 2.41860 -124.74637 818.39728
3945.0000 -129.22181 -123.02048 6.20133 2.49404 -123.66865 834.10154
3950.0000 -129.87798 -123.48643 6.39155 2.51350 -123.39060 854.16668
3955.0000 -130.20049 -124.54588 5.65461 2.46100 -124.14067 837.52196
3960.0000 -130.11619 -122.87244 7.24375 2.52789 -123.18504 857.49083
3965.0000 -129.15668 -123.31912 5.83756 2.53956 -123.01834 889.55787
3970.0000 -129.39586 -123.20168 6.19419 2.53704 -123.05433 895.31301
3975.0000 -128.60728 -121.72431 6.88297 2.61456 -121.94684 941.21283
3980.0000 -128.37897 -122.09859 6.28038 2.60134 -122.13564 941.10133
3985.0000 -129.14314 -122.64078 6.50236 2.53175 -123.12988 881.09978
3990.0000 -128.41782 -121.35063 7.06718 2.58746 -122.33399 902.53629
3995.0000 -128.43257 -122.01507 6.41750 2.65090 -121.42765 941.71569
4000.0000 -129.70053 -123.59621 6.10432 2.59418 -122.23801 931.34209
FREEZING PROCESS: loop number 17 T-loop= 843.00000000000000
main_MD> interactions number 17 at Temperature= 843.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.07520 -1.18934 1.32607
force_rgl> df(natom) 2.01734 -1.98904 3.55285
4005.0000 -131.28877 -126.04271 5.24606 2.45491 -124.22768 837.66522
4010.0000 -130.61755 -125.96037 4.65718 2.32254 -126.11878 737.25391
4015.0000 -129.90185 -123.86230 6.03955 2.44263 -124.40315 817.47053
4020.0000 -129.78273 -123.19795 6.58478 2.49740 -123.62064 874.76641
4025.0000 -129.04579 -124.24390 4.80189 2.47558 -123.93229 841.95938
4030.0000 -129.35304 -122.03079 7.32225 2.55548 -122.79087 881.85791
4035.0000 -128.62744 -121.07626 7.55118 2.61500 -121.94058 943.88332
4040.0000 -128.97425 -121.83213 7.14211 2.61053 -122.00433 966.58109
4045.0000 -128.75327 -122.10203 6.65123 2.62046 -121.86251 967.00932
4050.0000 -130.13147 -123.54979 6.58168 2.53628 -123.06522 853.40434
4055.0000 -130.73739 -125.40340 5.33399 2.44125 -124.42285 819.90431
4060.0000 -128.99818 -124.12666 4.87152 2.44385 -124.38569 829.43027
4065.0000 -128.29831 -122.89211 5.40620 2.53105 -123.13994 857.40256
4070.0000 -128.99878 -122.73897 6.25982 2.55542 -122.79166 903.95916
4075.0000 -130.30507 -122.87856 7.42651 2.53769 -123.04501 898.91428
4080.0000 -130.94307 -124.21687 6.72620 2.50343 -123.53453 870.34774
4085.0000 -132.47782 -126.68475 5.79307 2.37939 -125.30662 775.35680
4090.0000 -131.08490 -125.28536 5.79954 2.36095 -125.56998 771.91775
4095.0000 -129.08903 -123.47268 5.61635 2.43121 -124.56618 800.71891
4100.0000 -129.15188 -122.97796 6.17391 2.47819 -123.89502 857.52577
4105.0000 -131.41268 -125.47284 5.93984 2.41718 -124.76662 801.08078
4110.0000 -129.51444 -124.17526 5.33918 2.39408 -125.09676 796.25247
4115.0000 -130.76380 -123.96948 6.79432 2.49287 -123.68533 872.94623
4120.0000 -129.64996 -123.53105 6.11891 2.49981 -123.58614 867.85576
4125.0000 -129.28706 -121.96682 7.32024 2.51596 -123.35545 865.23486
4130.0000 -130.50693 -125.10967 5.39726 2.53852 -123.03318 896.05759
4135.0000 -130.33459 -123.70730 6.62729 2.47891 -123.88476 842.63015
4140.0000 -130.88845 -125.28228 5.60617 2.40995 -124.86997 791.57175
4145.0000 -130.55219 -125.04537 5.50682 2.38360 -125.24648 786.99904
4150.0000 -130.71820 -124.11587 6.60232 2.39609 -125.06799 795.13294
4155.0000 -130.49986 -125.30906 5.19080 2.43142 -124.56329 790.48553
4160.0000 -130.25960 -124.16949 6.09011 2.43494 -124.51303 817.53530
4165.0000 -130.26346 -125.40544 4.85801 2.46731 -124.05052 850.85511
4170.0000 -128.93539 -124.10519 4.83021 2.42472 -124.65891 778.57221
4175.0000 -129.73906 -124.74545 4.99361 2.46353 -124.10444 811.49440
4180.0000 -130.88236 -126.76799 4.11437 2.34372 -125.81615 739.77401
4185.0000 -132.44319 -126.54813 5.89506 2.34088 -125.85678 757.42879
4190.0000 -129.23229 -123.70947 5.52282 2.42941 -124.59201 822.85159
4195.0000 -130.22819 -124.17000 6.05819 2.46334 -124.10726 836.06793
4200.0000 -130.16089 -124.30965 5.85124 2.44472 -124.37326 811.37323
4205.0000 -129.03234 -124.58675 4.44559 2.40675 -124.91565 818.06243
4210.0000 -129.07474 -122.36405 6.71069 2.50178 -123.55803 891.24269
4215.0000 -130.32116 -123.09712 7.22404 2.52084 -123.28575 910.89645
4220.0000 -129.36652 -124.20255 5.16397 2.48804 -123.75431 841.84163
4225.0000 -130.69388 -124.85569 5.83819 2.41174 -124.84435 808.12097
4230.0000 -129.47387 -124.06908 5.40480 2.48968 -123.73092 856.60297
4235.0000 -129.03874 -123.25177 5.78696 2.50418 -123.52382 841.74025
4240.0000 -129.79779 -123.81639 5.98141 2.57165 -122.55984 894.83531
4245.0000 -130.54348 -125.14885 5.39463 2.45716 -124.19554 828.51638
4250.0000 -129.50248 -122.99983 6.50264 2.47032 -124.00747 854.23563
FREEZING PROCESS: loop number 18 T-loop= 818.00000000000000
main_MD> interactions number 18 at Temperature= 818.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.80377 4.04128 -1.84258
force_rgl> df(natom) -0.16778 -0.90421 0.66347
4255.0000 -129.34686 -123.76632 5.58054 2.47466 -123.94550 846.10750
4260.0000 -129.99747 -124.12688 5.87060 2.46695 -124.05565 818.56363
4265.0000 -129.64921 -123.72483 5.92439 2.48712 -123.76748 855.34405
4270.0000 -130.03508 -124.04816 5.98692 2.47621 -123.92336 834.08060
4275.0000 -130.08513 -124.64421 5.44092 2.44922 -124.30895 811.47883
4280.0000 -130.34365 -125.12381 5.21984 2.39806 -125.03980 787.94204
4285.0000 -131.56503 -125.50283 6.06220 2.39604 -125.06869 789.21054
4290.0000 -131.18457 -126.01707 5.16750 2.33038 -126.00671 755.57335
4295.0000 -130.67367 -125.26990 5.40377 2.34656 -125.77567 754.90227
4300.0000 -131.60611 -127.03092 4.57520 2.33164 -125.98884 737.48665
4305.0000 -132.04613 -126.49229 5.55385 2.29395 -126.52718 715.77229
4310.0000 -129.76721 -124.39784 5.36937 2.31669 -126.20232 729.43157
4315.0000 -128.75065 -122.60132 6.14932 2.45742 -124.19173 786.26026
4320.0000 -127.71408 -122.30700 5.40707 2.57402 -122.52600 883.51847
4325.0000 -128.78181 -122.77668 6.00513 2.54064 -123.00293 891.03171
4330.0000 -130.40608 -124.93899 5.46709 2.51925 -123.30842 884.94903
4335.0000 -130.38724 -124.67861 5.70862 2.41565 -124.78849 798.07165
4340.0000 -130.31127 -124.40059 5.91068 2.40930 -124.87924 767.15596
4345.0000 -129.15924 -122.40958 6.74966 2.51012 -123.43895 865.25520
4350.0000 -128.40472 -123.60363 4.80108 2.54318 -122.96655 880.95749
4355.0000 -128.93022 -123.44359 5.48663 2.47026 -124.00839 828.09685
4360.0000 -130.50490 -123.79138 6.71352 2.47058 -124.00379 845.04675
4365.0000 -129.32488 -123.26425 6.06063 2.47800 -123.89783 829.72325
4370.0000 -129.10129 -122.60637 6.49492 2.57240 -122.54909 897.45456
4375.0000 -126.95368 -121.10760 5.84607 2.60427 -122.09385 926.57413
4380.0000 -128.65157 -121.76592 6.88565 2.61853 -121.89012 963.82987
4385.0000 -129.55754 -124.20829 5.34925 2.50849 -123.46223 854.03324
4390.0000 -129.56057 -124.55436 5.00621 2.45664 -124.20289 816.76074
4395.0000 -129.89179 -123.93811 5.95368 2.51124 -123.42285 833.52623
4400.0000 -129.68661 -124.02208 5.66454 2.46680 -124.05773 840.02797
4405.0000 -129.47203 -124.06862 5.40341 2.49386 -123.67118 835.72028
4410.0000 -130.41729 -124.34697 6.07032 2.43559 -124.50361 821.91523
4415.0000 -128.49932 -123.68707 4.81226 2.43479 -124.51517 784.71879
4420.0000 -129.21669 -123.79584 5.42084 2.43971 -124.44475 805.32674
4425.0000 -129.01526 -123.09334 5.92192 2.48712 -123.76743 857.40815
4430.0000 -129.92750 -124.47951 5.44799 2.46834 -124.03578 835.55983
4435.0000 -129.59036 -124.73416 4.85620 2.42894 -124.59874 791.51840
4440.0000 -130.07062 -123.99378 6.07685 2.39171 -125.13062 783.01747
4445.0000 -130.27139 -125.56495 4.70645 2.38898 -125.16955 778.59479
4450.0000 -131.38376 -125.72964 5.65412 2.37539 -125.36373 782.23510
4455.0000 -129.34937 -124.42400 4.92537 2.40942 -124.87758 770.06597
4460.0000 -131.39006 -125.29726 6.09281 2.42354 -124.67585 819.74574
4465.0000 -130.66461 -125.30207 5.36254 2.34570 -125.78783 732.52129
4470.0000 -130.71179 -124.14240 6.56939 2.40387 -124.95685 807.53949
4475.0000 -129.87643 -123.73063 6.14580 2.40091 -124.99917 785.72102
4480.0000 -129.00536 -124.17234 4.83301 2.49961 -123.58904 856.83495
4485.0000 -129.72082 -123.90534 5.81548 2.51509 -123.36795 859.98434
4490.0000 -129.44223 -123.83472 5.60751 2.48644 -123.77721 823.42092
4495.0000 -130.24197 -124.94389 5.29808 2.44544 -124.36301 792.92747
4500.0000 -130.00650 -125.17408 4.83243 2.41098 -124.85532 785.53389
FREEZING PROCESS: loop number 19 T-loop= 793.00000000000000
main_MD> interactions number 19 at Temperature= 793.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.93596 1.01880 -0.56211
force_rgl> df(natom) 0.70209 0.69631 1.35533
4505.0000 -129.72904 -123.65483 6.07421 2.45210 -124.26784 818.20608
4510.0000 -129.20761 -122.92048 6.28713 2.49257 -123.68958 850.62494
4515.0000 -129.26663 -122.87081 6.39582 2.52397 -123.24098 881.24653
4520.0000 -129.61894 -123.60844 6.01050 2.47996 -123.86975 847.77915
4525.0000 -129.24381 -123.07984 6.16397 2.52154 -123.27569 886.06043
4530.0000 -129.16965 -124.80591 4.36373 2.46796 -124.04125 850.73065
4535.0000 -129.59036 -123.81661 5.77376 2.43643 -124.49171 799.66455
4540.0000 -129.66175 -125.14735 4.51439 2.44532 -124.36467 828.75007
4545.0000 -132.08912 -128.39280 3.69632 2.26102 -126.99763 672.24754
4550.0000 -131.34365 -125.92765 5.41600 2.25453 -127.09043 668.91215
4555.0000 -130.67688 -124.52232 6.15456 2.40395 -124.95574 771.04854
4560.0000 -130.30310 -124.25524 6.04786 2.40962 -124.87473 774.64281
4565.0000 -130.95466 -125.09408 5.86058 2.38609 -125.21083 785.92134
4570.0000 -131.41175 -127.13149 4.28026 2.32832 -126.03619 754.43687
4575.0000 -131.23880 -126.11832 5.12048 2.29625 -126.49433 702.33910
4580.0000 -131.08595 -126.26895 4.81700 2.30946 -126.30569 708.20003
4585.0000 -131.33590 -125.72968 5.60622 2.34060 -125.86074 754.18811
4590.0000 -130.75671 -125.64787 5.10884 2.34065 -125.86004 737.25118
4595.0000 -130.39274 -123.80131 6.59143 2.44067 -124.43113 799.43261
4600.0000 -130.12849 -125.54726 4.58123 2.38424 -125.23725 768.68427
4605.0000 -130.37582 -125.18067 5.19515 2.34923 -125.73744 787.52556
4610.0000 -130.03156 -124.14883 5.88273 2.44168 -124.41674 820.67882
4615.0000 -130.10468 -124.51643 5.58825 2.46322 -124.10900 834.42322
4620.0000 -129.89996 -123.41578 6.48417 2.44531 -124.36486 783.24939
4625.0000 -130.71433 -124.40765 6.30669 2.49635 -123.63558 855.09291
4630.0000 -129.42870 -123.26734 6.16137 2.48944 -123.73434 869.91954
4635.0000 -129.58778 -123.59831 5.98946 2.51519 -123.36649 866.32746
4640.0000 -128.32999 -123.96544 4.36455 2.48815 -123.75283 842.12379
4645.0000 -129.68320 -123.82053 5.86267 2.48328 -123.82228 829.88165
4650.0000 -130.60973 -125.29173 5.31799 2.43641 -124.49191 819.12681
4655.0000 -130.96272 -125.48608 5.47665 2.39741 -125.04911 765.73649
4660.0000 -129.79145 -124.02577 5.76567 2.37825 -125.32293 775.30252
4665.0000 -130.20953 -124.31409 5.89543 2.44714 -124.33861 821.73061
4670.0000 -129.47380 -124.53721 4.93659 2.43637 -124.49257 832.05538
4675.0000 -130.92633 -126.73569 4.19063 2.33174 -125.98727 734.59150
4680.0000 -131.63950 -126.48746 5.15204 2.32150 -126.13359 718.47002
4685.0000 -131.17148 -126.42607 4.74541 2.29247 -126.54832 685.99189
4690.0000 -131.63323 -126.51528 5.11794 2.28826 -126.60857 670.94021
4695.0000 -130.44712 -125.55109 4.89604 2.35675 -125.63002 722.52374
4700.0000 -130.53664 -124.63658 5.90006 2.38049 -125.29080 763.74132
4705.0000 -129.66417 -125.00410 4.66007 2.42159 -124.70375 812.70185
4710.0000 -130.24415 -124.87815 5.36600 2.38166 -125.27422 776.39887
4715.0000 -131.00063 -124.99647 6.00415 2.40788 -124.89954 800.97181
4720.0000 -129.24195 -124.29542 4.94653 2.42600 -124.64062 813.31591
4725.0000 -131.26462 -125.94834 5.31629 2.37248 -125.40535 771.41252
4730.0000 -130.11656 -125.74305 4.37351 2.37695 -125.34149 752.28474
4735.0000 -129.33760 -123.93535 5.40226 2.42493 -124.65598 816.33759
4740.0000 -131.03685 -125.49755 5.53930 2.38698 -125.19815 749.04611
4745.0000 -130.06720 -124.19027 5.87693 2.41918 -124.73815 795.53466
4750.0000 -131.36534 -125.69591 5.66943 2.43512 -124.51041 801.83885
FREEZING PROCESS: loop number 20 T-loop= 768.00000000000000
main_MD> interactions number 20 at Temperature= 768.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38867 1.69456 -0.72117
force_rgl> df(natom) -1.55081 -0.08992 -3.33889
4755.0000 -130.46258 -125.03149 5.43109 2.37524 -125.36584 801.49673
4760.0000 -130.12408 -123.71153 6.41255 2.44389 -124.38506 807.03416
4765.0000 -130.46774 -125.68421 4.78353 2.42732 -124.62189 784.37660
4770.0000 -129.99803 -124.65845 5.33957 2.36353 -125.53319 767.84703
4775.0000 -131.13434 -125.16744 5.96690 2.41119 -124.85222 804.66501
4780.0000 -131.65958 -126.80481 4.85477 2.32821 -126.03778 743.60775
4785.0000 -130.88340 -125.18944 5.69396 2.34672 -125.77329 763.26798
4790.0000 -130.04896 -124.39197 5.65700 2.41831 -124.75058 803.35587
4795.0000 -130.69755 -123.93425 6.76330 2.45135 -124.27852 831.46582
4800.0000 -130.08069 -124.25927 5.82142 2.42618 -124.63804 788.98794
4805.0000 -130.21883 -124.39563 5.82320 2.44405 -124.38287 824.96545
4810.0000 -128.83949 -123.36625 5.47324 2.47794 -123.89862 836.29242
4815.0000 -131.02352 -123.95827 7.06525 2.47661 -123.91764 852.56058
4820.0000 -131.40145 -125.39583 6.00562 2.41561 -124.78912 815.69990
4825.0000 -130.23389 -124.77711 5.45677 2.38052 -125.29040 777.31423
4830.0000 -132.65858 -127.04705 5.61153 2.34998 -125.72669 769.47498
4835.0000 -131.13424 -126.18948 4.94476 2.32136 -126.13560 745.65500
4840.0000 -131.61386 -126.73368 4.88017 2.32163 -126.13171 696.68023
4845.0000 -130.47274 -126.49038 3.98236 2.31358 -126.24679 725.64306
4850.0000 -131.99798 -126.23642 5.76156 2.33098 -125.99814 733.55242
4855.0000 -131.21798 -125.96853 5.24946 2.34340 -125.82081 779.37197
4860.0000 -131.58412 -126.60200 4.98212 2.32349 -126.10518 755.55614
4865.0000 -132.38886 -126.51060 5.87827 2.27882 -126.74343 702.37685
4870.0000 -131.38477 -126.25184 5.13293 2.29885 -126.45719 709.68821
4875.0000 -132.02644 -126.28823 5.73821 2.33917 -125.88124 722.11147
4880.0000 -130.52344 -125.22164 5.30180 2.35442 -125.66338 788.16586
4885.0000 -130.25087 -124.87021 5.38066 2.37179 -125.41511 759.22147
4890.0000 -131.08644 -124.44399 6.64245 2.43836 -124.46404 805.64982
4895.0000 -131.93771 -125.24557 6.69214 2.37926 -125.30848 784.60456
4900.0000 -130.67397 -125.54984 5.12414 2.33597 -125.92689 733.88982
4905.0000 -131.22140 -125.81534 5.40606 2.35453 -125.66173 738.52897
4910.0000 -130.40230 -124.98337 5.41893 2.34871 -125.74485 730.95215
4915.0000 -130.31060 -124.92738 5.38322 2.39548 -125.07673 747.84701
4920.0000 -130.25409 -124.93067 5.32342 2.39912 -125.02471 767.12173
4925.0000 -130.68877 -124.82203 5.86674 2.41007 -124.86834 805.86869
4930.0000 -132.36415 -126.77652 5.58764 2.32234 -126.12167 703.35230
4935.0000 -130.71251 -126.11166 4.60086 2.30912 -126.31048 749.16874
4940.0000 -129.86057 -124.40744 5.45314 2.38351 -125.24778 779.50563
4945.0000 -129.40648 -124.48603 4.92045 2.48315 -123.82420 820.25315
4950.0000 -129.81682 -124.52832 5.28850 2.44286 -124.39980 808.08134
4955.0000 -131.59013 -126.28097 5.30916 2.36224 -125.55158 776.42042
4960.0000 -130.98152 -126.02640 4.95512 2.34854 -125.74740 741.59257
4965.0000 -131.46728 -126.46931 4.99797 2.26192 -126.98483 680.93228
4970.0000 -130.72343 -125.27275 5.45068 2.37056 -125.43275 752.04628
4975.0000 -130.43159 -123.88905 6.54255 2.42349 -124.67661 784.43526
4980.0000 -129.77536 -124.26978 5.50559 2.47347 -123.96246 831.45943
4985.0000 -129.94105 -123.60018 6.34087 2.45582 -124.21462 799.40203
4990.0000 -130.30078 -124.60330 5.69748 2.46051 -124.14768 843.51672
4995.0000 -130.96982 -124.76978 6.20004 2.42185 -124.69999 821.79134
5000.0000 -128.48268 -123.40406 5.07862 2.42648 -124.63377 796.83648
FREEZING PROCESS: loop number 21 T-loop= 743.00000000000000
main_MD> interactions number 21 at Temperature= 743.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.36001 1.85905 -1.47815
force_rgl> df(natom) -3.25055 -1.84736 0.81469
5005.0000 -130.47091 -124.36678 6.10414 2.49226 -123.69411 842.73867
5010.0000 -129.78852 -123.89745 5.89107 2.41058 -124.86098 771.38016
5015.0000 -129.59233 -124.61529 4.97704 2.41694 -124.77010 769.97160
5020.0000 -130.50917 -125.31016 5.19901 2.39024 -125.15151 750.26738
5025.0000 -130.70035 -125.66209 5.03826 2.38544 -125.22010 767.49158
5030.0000 -130.43594 -124.91857 5.51737 2.40326 -124.96560 810.53885
5035.0000 -131.70086 -126.87023 4.83063 2.32758 -126.04670 731.46141
5040.0000 -131.38651 -126.06310 5.32341 2.28564 -126.64596 706.71667
5045.0000 -130.61307 -125.30590 5.30717 2.33164 -125.98879 706.52359
5050.0000 -131.99259 -126.23370 5.75889 2.30191 -126.41354 730.92584
5055.0000 -130.19110 -125.06463 5.12646 2.36912 -125.45337 782.31762
5060.0000 -130.90659 -125.94777 4.95882 2.38079 -125.28652 780.18928
5065.0000 -129.43151 -124.74877 4.68274 2.41612 -124.78190 782.50956
5070.0000 -131.08342 -126.81366 4.26976 2.33651 -125.91916 728.90094
5075.0000 -132.13338 -126.54900 5.58437 2.26697 -126.91267 707.05573
5080.0000 -132.32111 -127.52629 4.79482 2.27846 -126.74848 697.06458
5085.0000 -131.72423 -127.06017 4.66406 2.22412 -127.52480 645.56147
5090.0000 -132.02834 -126.83430 5.19403 2.24675 -127.20161 663.40237
5095.0000 -131.88185 -126.61662 5.26523 2.22949 -127.44810 648.00800
5100.0000 -132.07181 -126.34958 5.72223 2.27969 -126.73103 710.64428
5105.0000 -132.35589 -126.08223 6.27366 2.32585 -126.07142 750.23046
5110.0000 -130.81188 -125.23254 5.57934 2.38282 -125.25760 751.56741
5115.0000 -131.47837 -126.46698 5.01139 2.30389 -126.38526 699.63125
5120.0000 -130.59197 -125.80598 4.78599 2.37917 -125.30976 771.08541
5125.0000 -130.53927 -125.66418 4.87509 2.35054 -125.71870 735.79684
5130.0000 -131.55757 -126.44671 5.11086 2.34473 -125.80183 753.48060
5135.0000 -131.93016 -126.26595 5.66420 2.27497 -126.79840 706.19701
5140.0000 -131.35611 -125.87231 5.48381 2.34020 -125.86651 742.79685
5145.0000 -131.05219 -124.33112 6.72107 2.39292 -125.11332 792.95424
5150.0000 -130.84320 -124.90340 5.93980 2.41338 -124.82092 802.46583
5155.0000 -131.10605 -125.81585 5.29021 2.37440 -125.37787 774.45189
5160.0000 -131.67831 -126.09848 5.57983 2.33758 -125.90394 725.54945
5165.0000 -131.51194 -126.23205 5.27990 2.30214 -126.41027 725.33417
5170.0000 -131.64569 -126.00174 5.64395 2.29433 -126.52184 679.93113
5175.0000 -131.40985 -126.50502 4.90482 2.31729 -126.19371 730.40287
5180.0000 -132.09079 -127.14484 4.94594 2.29759 -126.47528 695.71905
5185.0000 -131.88249 -127.13342 4.74907 2.23896 -127.31280 653.74108
5190.0000 -132.54580 -127.84764 4.69816 2.23893 -127.31335 650.81030
5195.0000 -132.65522 -128.00133 4.65389 2.19318 -127.96694 647.48920
5200.0000 -132.09047 -127.37635 4.71412 2.22747 -127.47706 648.18158
5205.0000 -132.15467 -126.39920 5.75547 2.28919 -126.59521 722.04979
5210.0000 -131.86384 -126.13709 5.72675 2.27297 -126.82694 716.90950
5215.0000 -130.24044 -125.51761 4.72283 2.36936 -125.44989 801.03317
5220.0000 -130.99629 -126.14318 4.85311 2.34971 -125.73065 762.43454
5225.0000 -132.45206 -127.30274 5.14932 2.28748 -126.61961 699.14955
5230.0000 -130.61884 -125.93652 4.68232 2.31038 -126.29249 697.34300
5235.0000 -130.46624 -125.86142 4.60482 2.35146 -125.70559 708.47753
5240.0000 -130.41454 -124.85433 5.56021 2.39330 -125.10786 751.00740
5245.0000 -131.74494 -125.55354 6.19141 2.36922 -125.45181 784.89156
5250.0000 -130.20919 -124.57753 5.63167 2.44589 -124.35653 836.95174
FREEZING PROCESS: loop number 22 T-loop= 718.00000000000000
main_MD> interactions number 22 at Temperature= 718.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50482 1.13282 0.85909
force_rgl> df(natom) 1.07181 -1.26815 0.66588
5255.0000 -129.92078 -124.36172 5.55905 2.40675 -124.91566 798.50453
5260.0000 -129.98066 -124.86007 5.12060 2.39059 -125.14662 778.67359
5265.0000 -131.36343 -126.38534 4.97809 2.37530 -125.36507 789.13652
5270.0000 -131.91359 -126.58637 5.32722 2.31282 -126.25761 723.79132
5275.0000 -130.97034 -126.48811 4.48223 2.25911 -127.02493 697.04770
5280.0000 -131.69276 -126.62503 5.06773 2.30462 -126.37479 726.16528
5285.0000 -131.17130 -126.65919 4.51211 2.26350 -126.96220 679.15412
5290.0000 -131.33518 -125.52902 5.80616 2.31374 -126.24454 736.21237
5295.0000 -131.35828 -126.35883 4.99946 2.30203 -126.41173 709.62611
5300.0000 -130.92371 -125.42003 5.50368 2.32044 -126.14885 723.95888
5305.0000 -130.40203 -125.38542 5.01662 2.35683 -125.62883 736.79512
5310.0000 -131.24695 -126.21340 5.03355 2.30839 -126.32099 709.42506
5315.0000 -131.83127 -126.89891 4.93236 2.29143 -126.56330 701.70117
5320.0000 -130.79570 -126.39506 4.40064 2.28211 -126.69637 703.41922
5325.0000 -131.79679 -125.56333 6.23346 2.40291 -124.97054 773.04601
5330.0000 -130.67142 -125.57677 5.09465 2.30876 -126.31571 707.18218
5335.0000 -131.52743 -127.35903 4.16840 2.27758 -126.76116 689.56275
5340.0000 -132.02949 -127.85225 4.17724 2.25908 -127.02538 666.90803
5345.0000 -130.87359 -126.37390 4.49968 2.29156 -126.56133 703.66879
5350.0000 -130.78959 -126.66178 4.12782 2.29645 -126.49147 701.09984
5355.0000 -130.46726 -124.18193 6.28533 2.36249 -125.54802 751.18804
5360.0000 -131.45625 -126.83313 4.62313 2.39208 -125.12526 765.46576
5365.0000 -131.06958 -126.50830 4.56128 2.28770 -126.61648 702.88262
5370.0000 -132.45737 -127.19229 5.26508 2.30315 -126.39580 713.77912
5375.0000 -130.96769 -126.87404 4.09365 2.25065 -127.14588 682.32531
5380.0000 -131.73336 -126.56060 5.17276 2.26016 -127.01004 675.66520
5385.0000 -130.66267 -126.11074 4.55193 2.29793 -126.47033 731.09934
5390.0000 -131.80662 -126.77359 5.03304 2.28932 -126.59339 729.40388
5395.0000 -131.72878 -126.59165 5.13713 2.31780 -126.18644 746.15448
5400.0000 -131.13049 -126.86763 4.26286 2.31027 -126.29407 703.36425
5405.0000 -130.31141 -125.39880 4.91261 2.33870 -125.88792 734.46255
5410.0000 -130.76584 -125.96850 4.79733 2.36816 -125.46697 736.37405
5415.0000 -130.75543 -126.47522 4.28022 2.36275 -125.54438 762.26523
5420.0000 -131.45306 -126.44445 5.00861 2.32706 -126.05422 724.20046
5425.0000 -131.10490 -124.89628 6.20862 2.41522 -124.79476 769.98431
5430.0000 -130.98108 -125.74099 5.24009 2.35526 -125.65137 771.32755
5435.0000 -131.69124 -127.06965 4.62159 2.30824 -126.32305 709.53547
5440.0000 -130.26084 -125.96768 4.29316 2.26826 -126.89427 704.16590
5445.0000 -131.81443 -126.35097 5.46346 2.34620 -125.78073 732.56993
5450.0000 -130.32206 -125.54420 4.77786 2.27868 -126.74543 659.03984
5455.0000 -131.35172 -126.16414 5.18758 2.34816 -125.75274 763.63762
5460.0000 -131.56205 -126.12711 5.43494 2.34299 -125.82664 777.34453
5465.0000 -132.28423 -126.38105 5.90318 2.35021 -125.72348 759.21944
5470.0000 -132.16418 -127.61405 4.55013 2.27136 -126.84998 718.95917
5475.0000 -132.47055 -128.05108 4.41947 2.21408 -127.66832 651.60056
5480.0000 -131.27383 -126.23255 5.04128 2.24796 -127.18426 666.14409
5485.0000 -132.31750 -126.28492 6.03258 2.34989 -125.72798 745.62776
5490.0000 -131.73403 -126.70630 5.02773 2.29455 -126.51860 681.10310
5495.0000 -131.84476 -127.67464 4.17012 2.27695 -126.77013 694.71175
5500.0000 -130.85781 -126.18565 4.67216 2.26649 -126.91957 685.70691
FREEZING PROCESS: loop number 23 T-loop= 693.00000000000000
main_MD> interactions number 23 at Temperature= 693.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.65532 0.72190 -1.94824
force_rgl> df(natom) 4.75425 -0.40832 4.00524
5505.0000 -131.29495 -126.11880 5.17614 2.30228 -126.40824 706.07575
5510.0000 -131.39623 -126.42129 4.97493 2.28572 -126.64480 693.20378
5515.0000 -132.05658 -126.61159 5.44500 2.34144 -125.84874 725.23685
5520.0000 -130.46989 -124.21038 6.25951 2.34932 -125.73621 742.54574
5525.0000 -131.10851 -124.81136 6.29714 2.38233 -125.26454 765.42547
5530.0000 -132.45596 -127.03988 5.41608 2.39406 -125.09703 806.45285
5535.0000 -131.84990 -126.21868 5.63122 2.27097 -126.85550 721.31914
5540.0000 -131.43322 -126.57254 4.86069 2.29737 -126.47841 713.85533
5545.0000 -131.95394 -127.05723 4.89671 2.29113 -126.56749 704.69434
5550.0000 -132.27224 -127.03258 5.23967 2.26251 -126.97636 684.95696
5555.0000 -131.35051 -127.03868 4.31183 2.24653 -127.20472 631.97255
5560.0000 -131.34737 -126.46694 4.88044 2.26926 -126.87999 684.71224
5565.0000 -132.88945 -127.66107 5.22838 2.23070 -127.43084 678.91060
5570.0000 -131.52288 -126.68588 4.83700 2.25363 -127.10333 684.66360
5575.0000 -131.06688 -125.96764 5.09924 2.28943 -126.59181 683.68193
5580.0000 -131.05996 -125.56364 5.49631 2.35858 -125.60393 762.62927
5585.0000 -131.55528 -126.85368 4.70161 2.34745 -125.76288 729.45559
5590.0000 -130.60327 -125.48528 5.11799 2.31011 -126.29640 728.45920
5595.0000 -130.27207 -124.25724 6.01483 2.39490 -125.08507 764.73663
5600.0000 -131.19365 -126.01185 5.18181 2.36521 -125.50916 749.03962
5605.0000 -131.66513 -126.61183 5.05330 2.29280 -126.54365 711.78999
5610.0000 -130.84897 -126.23528 4.61369 2.33326 -125.96569 774.77678
5615.0000 -131.07863 -126.16522 4.91341 2.31437 -126.23552 702.83147
5620.0000 -130.17779 -124.14304 6.03475 2.38647 -125.20542 766.02383
5625.0000 -130.18024 -125.21845 4.96179 2.42156 -124.70405 782.75437
5630.0000 -130.13878 -125.52981 4.60897 2.42120 -124.70921 805.98555
5635.0000 -131.85493 -126.69635 5.15858 2.32175 -126.13013 728.78533
5640.0000 -130.93084 -125.44458 5.48627 2.33653 -125.91892 746.13181
5645.0000 -131.37856 -126.99070 4.38786 2.33560 -125.93215 737.12739
5650.0000 -131.82369 -126.93192 4.89178 2.29516 -126.50991 707.29724
5655.0000 -131.98394 -127.48881 4.49513 2.26092 -126.99914 662.70781
5660.0000 -131.24948 -126.25390 4.99558 2.27536 -126.79286 689.05174
5665.0000 -131.13375 -126.42549 4.70826 2.33631 -125.92202 719.64902
5670.0000 -132.17253 -127.73866 4.43387 2.24596 -127.21287 686.58788
5675.0000 -131.39415 -125.55521 5.83894 2.26286 -126.97135 685.85735
5680.0000 -132.12709 -127.58960 4.53749 2.29428 -126.52250 718.99333
5685.0000 -132.37145 -127.96258 4.40887 2.18630 -128.06515 612.43399
5690.0000 -132.20574 -126.86940 5.33635 2.22562 -127.50350 654.88210
5695.0000 -132.51374 -127.59211 4.92163 2.20622 -127.78056 664.28634
5700.0000 -131.56188 -127.09382 4.46806 2.22344 -127.53458 655.32020
5705.0000 -132.70655 -128.13917 4.56738 2.18587 -128.07129 620.43408
5710.0000 -131.37467 -126.25285 5.12182 2.27607 -126.78263 681.74510
5715.0000 -129.49186 -125.15143 4.34043 2.37644 -125.34873 760.82871
5720.0000 -130.62096 -125.86756 4.75341 2.41083 -124.85746 764.53976
5725.0000 -130.99387 -126.33712 4.65675 2.31077 -126.28694 723.32843
5730.0000 -131.66051 -126.46726 5.19325 2.29948 -126.44827 712.06852
5735.0000 -130.82312 -125.12322 5.69990 2.35838 -125.60673 769.84315
5740.0000 -130.14316 -125.97448 4.16867 2.33251 -125.97628 701.77953
5745.0000 -132.19135 -127.49598 4.69537 2.23969 -127.30241 632.48572
5750.0000 -130.93252 -126.46567 4.46686 2.22783 -127.47193 664.15919
FREEZING PROCESS: loop number 24 T-loop= 668.00000000000000
main_MD> interactions number 24 at Temperature= 668.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.20092 -1.64117 1.11326
force_rgl> df(natom) 0.37579 0.78826 1.51739
5755.0000 -132.20397 -126.91643 5.28755 2.28287 -126.68555 691.49574
5760.0000 -132.36710 -127.13766 5.22944 2.23489 -127.37106 690.97048
5765.0000 -132.08721 -127.86436 4.22286 2.24338 -127.24965 673.81977
5770.0000 -132.30388 -128.58803 3.71586 2.16973 -128.30190 618.13652
5775.0000 -132.22681 -127.49631 4.73051 2.20637 -127.77843 661.95448
5780.0000 -132.42671 -127.36086 5.06585 2.22425 -127.52301 670.41363
5785.0000 -131.85005 -128.07201 3.77804 2.20835 -127.75022 632.61681
5790.0000 -130.66959 -126.37163 4.29796 2.22972 -127.44479 645.88312
5795.0000 -131.53386 -126.45979 5.07407 2.25151 -127.13356 651.79600
5800.0000 -131.17395 -126.67455 4.49940 2.31545 -126.22007 726.00057
5805.0000 -132.04832 -127.44374 4.60458 2.25971 -127.01646 669.87963
5810.0000 -131.75331 -126.75100 5.00231 2.28570 -126.64508 696.22383
5815.0000 -132.99345 -126.99477 5.99868 2.27387 -126.81405 683.45465
5820.0000 -132.37661 -127.66092 4.71569 2.25882 -127.02909 715.38393
5825.0000 -132.79269 -129.23983 3.55286 2.15954 -128.44746 613.26581
5830.0000 -132.80249 -129.34251 3.45999 2.10612 -129.21063 553.77300
5835.0000 -132.03093 -127.88431 4.14661 2.17481 -128.22933 618.43214
5840.0000 -131.64298 -127.90262 3.74036 2.20440 -127.80657 643.35066
5845.0000 -132.66950 -128.27915 4.39034 2.23490 -127.37087 668.14573
5850.0000 -132.84774 -127.40848 5.43927 2.22009 -127.58243 672.10962
5855.0000 -131.27943 -126.97056 4.30887 2.25240 -127.12084 661.85444
5860.0000 -131.22237 -127.10854 4.11383 2.27208 -126.83975 706.41851
5865.0000 -132.64689 -127.71848 4.92842 2.21953 -127.59041 667.09692
5870.0000 -132.56417 -128.20559 4.35858 2.18224 -128.12321 641.30858
5875.0000 -133.17752 -128.34405 4.83347 2.19520 -127.93807 640.79944
5880.0000 -131.62416 -127.95577 3.66839 2.16626 -128.35147 627.65530
5885.0000 -132.05521 -127.11416 4.94105 2.24237 -127.26407 667.35183
5890.0000 -131.06727 -125.59647 5.47080 2.33240 -125.97791 764.53641
5895.0000 -130.93877 -126.64310 4.29567 2.32387 -126.09984 740.08204
5900.0000 -131.80094 -127.94246 3.85848 2.20620 -127.78086 652.56956
5905.0000 -133.51365 -128.69711 4.81654 2.18731 -128.05073 651.65669
5910.0000 -131.79074 -127.82844 3.96230 2.16708 -128.33973 614.66641
5915.0000 -131.40632 -126.45707 4.94925 2.25734 -127.05024 689.29902
5920.0000 -132.01441 -127.03670 4.97771 2.27210 -126.83935 699.64165
5925.0000 -131.48004 -126.56538 4.91466 2.26503 -126.94041 682.76148
5930.0000 -132.34609 -126.83204 5.51405 2.27329 -126.82235 686.84455
5935.0000 -132.24258 -127.83056 4.41201 2.27196 -126.84137 667.57247
5940.0000 -132.08903 -126.57595 5.51307 2.25752 -127.04772 688.50188
5945.0000 -130.81646 -126.08472 4.73174 2.33927 -125.87972 735.03131
5950.0000 -130.98213 -126.03311 4.94902 2.33506 -125.93997 709.19135
5955.0000 -131.46282 -127.71884 3.74398 2.27548 -126.79116 669.31365
5960.0000 -131.90199 -127.16170 4.74029 2.20039 -127.86388 662.44661
5965.0000 -132.58251 -127.34430 5.23821 2.25268 -127.11684 710.55945
5970.0000 -131.41356 -126.56399 4.84958 2.25263 -127.11750 677.41113
5975.0000 -132.37208 -128.10469 4.26739 2.25842 -127.03478 669.41435
5980.0000 -132.26908 -127.31393 4.95515 2.21927 -127.59413 664.21956
5985.0000 -132.31060 -126.97870 5.33190 2.26290 -126.97084 691.29992
5990.0000 -133.10368 -128.04664 5.05704 2.18735 -128.05014 628.40360
5995.0000 -131.74344 -127.83887 3.90457 2.19093 -127.99902 654.22378
6000.0000 -132.02675 -127.03177 4.99498 2.20041 -127.86357 665.19841
FREEZING PROCESS: loop number 25 T-loop= 643.00000000000000
main_MD> interactions number 25 at Temperature= 643.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05063 1.74885 1.17768
force_rgl> df(natom) 1.71353 2.33942 1.11740
6005.0000 -132.81390 -127.60034 5.21356 2.22500 -127.51234 684.28491
6010.0000 -132.56062 -128.37772 4.18291 2.18912 -128.02491 627.53155
6015.0000 -132.11526 -128.07231 4.04295 2.14017 -128.72422 587.88806
6020.0000 -132.94625 -128.35413 4.59213 2.18274 -128.11602 627.58108
6025.0000 -132.31783 -128.75980 3.55803 2.13167 -128.84571 574.79939
6030.0000 -132.94092 -129.02493 3.91599 2.17778 -128.18688 608.49589
6035.0000 -132.07066 -128.04308 4.02759 2.18342 -128.10628 623.97299
6040.0000 -132.11947 -126.96537 5.15409 2.26162 -126.98916 678.12329
6045.0000 -132.65960 -128.07293 4.58668 2.24513 -127.22470 685.81837
6050.0000 -132.40000 -127.88770 4.51230 2.19669 -127.91669 637.12330
6055.0000 -132.27869 -127.38692 4.89176 2.21036 -127.72152 645.34118
6060.0000 -132.00530 -126.94599 5.05931 2.19239 -127.97815 638.35783
6065.0000 -132.83092 -128.43884 4.39209 2.23532 -127.36490 696.40941
6070.0000 -133.44603 -128.79974 4.64628 2.14813 -128.61051 608.28038
6075.0000 -132.09941 -127.99622 4.10319 2.17550 -128.21950 635.34590
6080.0000 -133.04810 -128.51222 4.53588 2.15037 -128.57849 619.58820
6085.0000 -132.91974 -128.71870 4.20103 2.14369 -128.67391 602.10813
6090.0000 -131.75052 -126.91551 4.83501 2.17428 -128.23692 630.42020
6095.0000 -133.22332 -128.66532 4.55800 2.23494 -127.37023 686.91452
6100.0000 -133.45260 -128.23190 5.22070 2.13885 -128.74314 605.23535
6105.0000 -133.73838 -129.79335 3.94503 2.10235 -129.26449 562.97905
6110.0000 -132.72275 -128.64100 4.08175 2.11830 -129.03665 570.71840
6115.0000 -132.54635 -127.96510 4.58126 2.17490 -128.22799 604.74860
6120.0000 -132.75442 -129.00665 3.74777 2.15061 -128.57505 601.46332
6125.0000 -131.80493 -127.60195 4.20298 2.14067 -128.71705 597.23108
6130.0000 -132.56748 -127.57455 4.99293 2.22925 -127.45164 648.73336
6135.0000 -132.40436 -128.51878 3.88558 2.21045 -127.72015 631.68773
6140.0000 -132.90460 -128.48381 4.42079 2.17362 -128.24629 622.18928
6145.0000 -132.88475 -128.31573 4.56901 2.18618 -128.06697 655.61066
6150.0000 -131.95499 -127.04580 4.90918 2.19642 -127.92054 666.62082
6155.0000 -132.48938 -127.50499 4.98439 2.23859 -127.31809 691.34754
6160.0000 -133.35091 -128.76349 4.58742 2.18164 -128.13178 648.68127
6165.0000 -131.58280 -126.35836 5.22444 2.22559 -127.50383 665.82763
6170.0000 -131.64551 -126.85429 4.79122 2.31572 -126.21627 708.72921
6175.0000 -131.24018 -127.40229 3.83789 2.24621 -127.20921 688.59532
6180.0000 -131.37341 -126.96610 4.40730 2.21879 -127.60104 634.52587
6185.0000 -131.93620 -127.54604 4.39016 2.23775 -127.33018 653.78964
6190.0000 -132.16084 -127.82824 4.33260 2.20523 -127.79475 649.42879
6195.0000 -132.90928 -128.67346 4.23582 2.18570 -128.07373 638.14355
6200.0000 -132.20931 -128.24451 3.96479 2.18254 -128.11897 607.74291
6205.0000 -131.72507 -127.86253 3.86254 2.18677 -128.05843 605.91437
6210.0000 -132.66478 -126.91362 5.75116 2.25238 -127.12115 645.43777
6215.0000 -132.22041 -127.85806 4.36234 2.24812 -127.18206 665.50944
6220.0000 -132.50982 -128.12839 4.38143 2.18932 -128.02210 659.53575
6225.0000 -132.41966 -128.63982 3.77984 2.16019 -128.43822 613.79186
6230.0000 -133.63082 -129.32937 4.30145 2.12156 -128.99009 595.39699
6235.0000 -134.18447 -129.19928 4.98520 2.08825 -129.46598 585.60693
6240.0000 -133.81928 -129.85564 3.96364 2.09360 -129.38952 596.98028
6245.0000 -133.76457 -129.71907 4.04551 2.09358 -129.38986 588.63872
6250.0000 -132.16997 -128.67914 3.49083 2.12672 -128.91637 582.82153
FREEZING PROCESS: loop number 26 T-loop= 618.00000000000000
main_MD> interactions number 26 at Temperature= 618.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18746 4.78292 -0.49659
force_rgl> df(natom) -2.41109 0.95160 -0.67073
6255.0000 -133.65548 -129.79673 3.85874 2.11091 -129.14228 576.42374
6260.0000 -132.88949 -128.73624 4.15325 2.09120 -129.42384 547.32585
6265.0000 -132.58097 -128.39909 4.18188 2.14135 -128.70735 600.85686
6270.0000 -132.54690 -127.99066 4.55624 2.19959 -127.87528 656.78852
6275.0000 -132.20434 -127.38850 4.81584 2.18159 -128.13252 629.15833
6280.0000 -132.34594 -128.25518 4.09076 2.21524 -127.65176 669.33731
6285.0000 -132.35515 -127.75833 4.59682 2.16587 -128.35707 594.84979
6290.0000 -131.75055 -127.75956 3.99099 2.21760 -127.61798 645.55201
6295.0000 -131.85427 -127.48394 4.37033 2.20834 -127.75030 633.84928
6300.0000 -132.95484 -128.76876 4.18608 2.17451 -128.23365 596.27248
6305.0000 -133.13342 -129.57127 3.56215 2.13977 -128.72993 591.95654
6310.0000 -132.21441 -127.95297 4.26144 2.15260 -128.54659 622.45611
6315.0000 -131.25265 -126.63616 4.61650 2.25124 -127.13735 677.49179
6320.0000 -132.74398 -128.41142 4.33256 2.20513 -127.79621 645.54181
6325.0000 -133.23911 -129.10533 4.13378 2.13358 -128.81841 606.99823
6330.0000 -132.31218 -128.18015 4.13203 2.12357 -128.96134 574.34738
6335.0000 -133.69969 -128.16503 5.53465 2.17645 -128.20597 635.69916
6340.0000 -132.78841 -128.81149 3.97692 2.18630 -128.06526 613.97836
6345.0000 -133.51719 -129.13788 4.37931 2.08271 -129.54521 557.70891
6350.0000 -134.11917 -128.59263 5.52654 2.14432 -128.66500 658.32473
6355.0000 -133.01241 -128.69133 4.32109 2.13459 -128.80391 631.16929
6360.0000 -132.48934 -128.33103 4.15831 2.17413 -128.23907 653.79934
6365.0000 -132.46688 -127.88918 4.57770 2.18260 -128.11808 600.37359
6370.0000 -132.18320 -127.47064 4.71256 2.19351 -127.96221 622.73077
6375.0000 -132.24023 -127.98334 4.25690 2.21301 -127.68356 621.21022
6380.0000 -132.15234 -127.58095 4.57139 2.22392 -127.52768 644.44134
6385.0000 -132.87925 -128.00303 4.87621 2.21423 -127.66619 636.85268
6390.0000 -131.39593 -127.09086 4.30507 2.22549 -127.50532 643.58543
6395.0000 -132.38677 -128.01737 4.36940 2.19318 -127.96689 642.28896
6400.0000 -132.96597 -128.89286 4.07311 2.12904 -128.88329 592.16483
6405.0000 -131.76322 -127.97877 3.78444 2.15469 -128.51680 622.28856
6410.0000 -133.06596 -128.40786 4.65811 2.18740 -128.04950 646.30508
6415.0000 -131.52501 -126.29676 5.22825 2.18222 -128.12344 634.46225
6420.0000 -132.40206 -128.35090 4.05116 2.23614 -127.35317 663.93138
6425.0000 -132.32609 -129.26095 3.06513 2.12417 -128.95276 572.82759
6430.0000 -132.55998 -128.37903 4.18095 2.11929 -129.02259 576.74848
6435.0000 -131.61772 -126.19891 5.41881 2.21758 -127.61829 660.63366
6440.0000 -131.69739 -126.44957 5.24782 2.29398 -126.52684 718.35903
6445.0000 -132.31916 -127.96077 4.35839 2.26149 -126.99094 666.81519
6450.0000 -133.18733 -128.82139 4.36594 2.16278 -128.40125 620.54960
6455.0000 -132.01050 -127.61379 4.39671 2.18790 -128.04233 619.81819
6460.0000 -132.39562 -128.34102 4.05460 2.22642 -127.49207 677.44233
6465.0000 -131.40388 -126.99596 4.40792 2.20606 -127.78292 660.28372
6470.0000 -132.29875 -127.30445 4.99429 2.22677 -127.48696 661.69006
6475.0000 -132.36853 -127.07641 5.29211 2.25029 -127.15096 660.44754
6480.0000 -132.54870 -128.15398 4.39472 2.20970 -127.73092 667.73782
6485.0000 -133.39053 -129.02512 4.36541 2.12071 -129.00228 576.82451
6490.0000 -132.13650 -128.48181 3.65469 2.14122 -128.70928 594.52649
6495.0000 -132.30960 -128.01058 4.29902 2.14142 -128.70632 585.86333
6500.0000 -131.84196 -127.93041 3.91155 2.21087 -127.71423 668.65178
FREEZING PROCESS: loop number 27 T-loop= 593.00000000000000
main_MD> interactions number 27 at Temperature= 593.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25541 -1.64541 -0.14497
force_rgl> df(natom) -1.93204 -0.60470 5.57633
6505.0000 -132.71127 -127.82821 4.88306 2.21086 -127.71424 668.56389
6510.0000 -132.54920 -127.83492 4.71428 2.17408 -128.23981 614.44756
6515.0000 -132.27096 -127.95530 4.31566 2.19349 -127.96246 630.89184
6520.0000 -132.27184 -128.55363 3.71820 2.16622 -128.35202 619.05367
6525.0000 -132.98206 -128.43912 4.54294 2.16065 -128.43160 598.18108
6530.0000 -132.97799 -128.71895 4.25905 2.17259 -128.26100 607.86054
6535.0000 -133.38574 -129.23907 4.14667 2.12808 -128.89696 607.74443
6540.0000 -133.73078 -129.21540 4.51538 2.07645 -129.63462 555.70927
6545.0000 -133.15365 -129.48021 3.67344 2.08847 -129.46286 590.14152
6550.0000 -133.63949 -130.28623 3.35326 2.05273 -129.97350 548.64738
6555.0000 -134.42789 -130.74081 3.68707 1.99765 -130.76029 507.96966
6560.0000 -133.92028 -129.59394 4.32634 2.02554 -130.36192 565.41441
6565.0000 -133.71442 -129.90066 3.81376 2.06770 -129.75964 596.51889
6570.0000 -133.13477 -129.33291 3.80186 2.09957 -129.30427 617.66444
6575.0000 -133.17447 -128.74607 4.42840 2.06924 -129.73758 539.36402
6580.0000 -133.32478 -129.35276 3.97203 2.13954 -128.73324 601.57615
6585.0000 -133.00713 -129.07559 3.93153 2.10779 -129.18681 584.44342
6590.0000 -133.07231 -129.29477 3.77754 2.10778 -129.18703 569.81832
6595.0000 -133.63682 -128.69641 4.94040 2.11816 -129.03874 573.51983
6600.0000 -133.14880 -128.91529 4.23350 2.14013 -128.72485 610.30530
6605.0000 -132.31333 -128.31292 4.00042 2.15282 -128.54344 633.75595
6610.0000 -132.91642 -128.80186 4.11456 2.13225 -128.83744 597.29475
6615.0000 -133.54002 -129.25925 4.28077 2.12848 -128.89120 591.81982
6620.0000 -134.09760 -129.77214 4.32546 2.08513 -129.51052 542.14944
6625.0000 -133.10244 -129.38016 3.72228 2.10364 -129.24607 553.22609
6630.0000 -133.81351 -129.69102 4.12249 2.10811 -129.18222 554.88343
6635.0000 -133.11954 -129.31859 3.80095 2.08408 -129.52552 564.66726
6640.0000 -133.83852 -129.83987 3.99865 2.12469 -128.94536 583.79568
6645.0000 -134.02076 -128.88545 5.13531 2.09959 -129.30396 586.72008
6650.0000 -131.97233 -127.74509 4.22724 2.15920 -128.45241 603.91435
6655.0000 -131.77940 -127.14545 4.63394 2.22531 -127.50791 624.64947
6660.0000 -132.34422 -128.43585 3.90836 2.20050 -127.86231 611.78983
6665.0000 -132.84689 -129.28479 3.56211 2.15472 -128.51631 595.92096
6670.0000 -133.26823 -128.80707 4.46115 2.13052 -128.86208 583.40980
6675.0000 -133.55885 -129.33530 4.22355 2.08654 -129.49047 545.67046
6680.0000 -134.18546 -129.94702 4.23844 2.03430 -130.23673 523.86893
6685.0000 -132.50702 -128.79141 3.71561 2.05980 -129.87240 547.02107
6690.0000 -132.86191 -128.15392 4.70799 2.17647 -128.20560 643.46394
6695.0000 -133.18821 -129.51657 3.67164 2.13265 -128.83161 599.47544
6700.0000 -133.67272 -129.38959 4.28313 2.06275 -129.83034 516.63674
6705.0000 -132.30399 -127.15743 5.14656 2.15936 -128.45001 614.45265
6710.0000 -132.39343 -127.45806 4.93537 2.20317 -127.82420 640.91619
6715.0000 -132.50183 -127.89879 4.60304 2.21019 -127.72391 656.81767
6720.0000 -132.33742 -128.46480 3.87262 2.16766 -128.33149 624.62168
6725.0000 -131.61520 -128.29278 3.32242 2.16349 -128.39111 590.74340
6730.0000 -132.45277 -129.12148 3.33130 2.13998 -128.72696 590.86123
6735.0000 -133.41670 -128.88830 4.52840 2.11878 -129.02984 557.91484
6740.0000 -131.80873 -127.80876 3.99997 2.18758 -128.04685 616.09407
6745.0000 -133.82715 -128.72745 5.09970 2.18708 -128.05399 654.34695
6750.0000 -134.29954 -129.80972 4.48982 2.14711 -128.62507 642.62789
FREEZING PROCESS: loop number 28 T-loop= 568.00000000000000
main_MD> interactions number 28 at Temperature= 568.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48217 -0.95757 -0.90942
force_rgl> df(natom) -2.31233 -2.66597 -3.78957
6755.0000 -134.90223 -131.05085 3.85139 2.01319 -130.53833 566.93130
6760.0000 -133.78656 -129.68474 4.10182 2.02245 -130.40599 573.10019
6765.0000 -134.30505 -129.91630 4.38875 2.05088 -129.99990 578.61059
6770.0000 -133.87970 -129.87401 4.00570 2.05581 -129.92945 576.56289
6775.0000 -133.65241 -129.47927 4.17314 2.05980 -129.87245 554.03343
6780.0000 -133.44337 -129.62219 3.82118 2.05662 -129.91787 552.77671
6785.0000 -134.21190 -129.64660 4.56531 2.08694 -129.48476 579.94509
6790.0000 -133.91372 -130.27805 3.63567 2.03980 -130.15821 530.38524
6795.0000 -134.04316 -129.24644 4.79672 2.05938 -129.87850 549.15186
6800.0000 -132.54748 -128.98418 3.56331 2.11979 -129.01544 579.18309
6805.0000 -133.19142 -129.65258 3.53885 2.05809 -129.89685 525.18939
6810.0000 -132.68766 -128.42067 4.26699 2.10746 -129.19150 574.38468
6815.0000 -132.90985 -129.48238 3.42747 2.10630 -129.20818 561.78279
6820.0000 -133.08765 -128.81015 4.27750 2.09647 -129.34849 549.77886
6825.0000 -133.04993 -128.30468 4.74525 2.15357 -128.53278 635.22358
6830.0000 -132.81891 -129.61482 3.20409 2.12911 -128.88221 595.71766
6835.0000 -134.00746 -130.24591 3.76156 2.03246 -130.26310 508.34234
6840.0000 -132.28973 -128.75330 3.53643 2.12925 -128.88022 598.53929
6845.0000 -132.75290 -128.61629 4.13661 2.13539 -128.79256 601.83318
6850.0000 -133.23182 -129.40378 3.82804 2.15701 -128.48370 592.30094
6855.0000 -133.93677 -130.14724 3.78953 2.07231 -129.69368 552.21181
6860.0000 -133.95634 -130.42617 3.53017 2.02750 -130.33388 505.21108
6865.0000 -133.57025 -129.41963 4.15063 2.05661 -129.91797 541.18312
6870.0000 -133.08516 -128.87830 4.20685 2.08246 -129.54873 561.03042
6875.0000 -132.94113 -129.42192 3.51921 2.10845 -129.17736 563.46422
6880.0000 -131.77433 -127.62284 4.15149 2.13966 -128.73151 600.70860
6885.0000 -131.72491 -127.86727 3.85763 2.20811 -127.75363 637.31920
6890.0000 -133.28876 -129.29108 3.99768 2.15063 -128.57478 582.91404
6895.0000 -133.14504 -128.50222 4.64282 2.10599 -129.21261 590.55674
6900.0000 -134.13089 -130.05791 4.07298 2.09056 -129.43296 579.67863
6905.0000 -132.21731 -128.30342 3.91388 2.12251 -128.97658 556.74840
6910.0000 -132.10058 -128.32102 3.77955 2.17603 -128.21186 620.53974
6915.0000 -132.55465 -128.44411 4.11054 2.18188 -128.12833 613.07954
6920.0000 -133.03021 -127.90655 5.12367 2.17672 -128.20200 626.16587
6925.0000 -133.13940 -128.65665 4.48274 2.18899 -128.02678 636.77535
6930.0000 -133.52465 -129.35057 4.17408 2.14462 -128.66066 613.83941
6935.0000 -133.48589 -129.73642 3.74947 2.05164 -129.98907 527.59263
6940.0000 -132.66535 -128.67978 3.98557 2.12610 -128.92530 586.35597
6945.0000 -132.61090 -128.65278 3.95811 2.12438 -128.94984 568.71396
6950.0000 -132.39204 -129.20528 3.18675 2.13494 -128.79900 592.90890
6955.0000 -132.89840 -129.21416 3.68424 2.11265 -129.11732 578.49449
6960.0000 -133.26646 -129.41118 3.85528 2.08905 -129.45454 548.03642
6965.0000 -132.95923 -129.11619 3.84304 2.12467 -128.94571 607.73133
6970.0000 -133.15917 -128.95403 4.20514 2.14289 -128.68536 608.32771
6975.0000 -133.34630 -128.27107 5.07523 2.14947 -128.59140 605.54865
6980.0000 -133.04171 -129.26212 3.77959 2.10664 -129.20319 575.53460
6985.0000 -133.82468 -130.02999 3.79468 2.05814 -129.89613 551.58270
6990.0000 -133.04500 -128.71516 4.32984 2.08851 -129.46223 550.24302
6995.0000 -132.74397 -129.09960 3.64437 2.14636 -128.63575 599.52555
7000.0000 -132.88900 -128.71779 4.17122 2.12004 -129.01188 576.04327
FREEZING PROCESS: loop number 29 T-loop= 543.00000000000000
main_MD> interactions number 29 at Temperature= 543.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24979 -1.90030 0.18429
force_rgl> df(natom) -0.46819 0.20258 -1.24989
7005.0000 -132.66772 -128.46194 4.20578 2.13771 -128.75933 561.86924
7010.0000 -132.76185 -129.11332 3.64853 2.11747 -129.04849 585.25600
7015.0000 -132.72934 -128.73248 3.99686 2.11998 -129.01268 566.56182
7020.0000 -133.11985 -128.71534 4.40451 2.11779 -129.04401 588.96931
7025.0000 -133.38799 -130.44877 2.93921 2.09924 -129.30905 566.38072
7030.0000 -133.16621 -129.95116 3.21505 2.03661 -130.20368 515.16278
7035.0000 -132.94237 -128.46843 4.47394 2.10479 -129.22973 561.23314
7040.0000 -133.11742 -129.38528 3.73213 2.14477 -128.65854 604.37486
7045.0000 -133.01099 -128.55193 4.45906 2.10224 -129.26616 558.14726
7050.0000 -133.29304 -129.30818 3.98486 2.11057 -129.14710 550.88794
7055.0000 -133.46066 -129.01209 4.44857 2.12905 -128.88316 589.87090
7060.0000 -133.54941 -129.76080 3.78861 2.11429 -129.09399 576.26764
7065.0000 -133.47971 -130.27400 3.20571 2.05815 -129.89605 517.22615
7070.0000 -133.41141 -129.87680 3.53461 2.02919 -130.30974 517.81649
7075.0000 -133.63324 -129.52535 4.10788 2.05819 -129.89549 540.74075
7080.0000 -133.82968 -130.21058 3.61911 2.09612 -129.35361 566.37362
7085.0000 -133.64862 -129.77909 3.86953 2.04575 -130.07317 532.80518
7090.0000 -133.29618 -128.96344 4.33274 2.06170 -129.84529 527.27838
7095.0000 -133.71436 -129.59527 4.11909 2.09524 -129.36607 558.87426
7100.0000 -133.72172 -129.10191 4.61981 2.11037 -129.14994 575.39971
7105.0000 -133.13139 -129.16134 3.97006 2.11656 -129.06151 573.39364
7110.0000 -132.86301 -129.34431 3.51870 2.11493 -129.08484 575.93016
7115.0000 -133.79000 -130.62623 3.16377 2.07354 -129.67613 517.58226
7120.0000 -133.82824 -130.87745 2.95080 2.01522 -130.50930 491.18251
7125.0000 -134.89949 -131.33260 3.56689 2.00336 -130.67878 539.14027
7130.0000 -135.35474 -131.11240 4.24234 1.97750 -131.04824 573.85532
7135.0000 -134.89594 -130.92719 3.96874 1.96091 -131.28530 562.29994
7140.0000 -136.11431 -132.32411 3.79020 1.94498 -131.51279 555.83806
7145.0000 -134.98374 -130.76490 4.21884 1.98174 -130.98767 580.55935
7150.0000 -134.62433 -131.18745 3.43688 1.95656 -131.34734 558.91669
7155.0000 -135.62916 -131.73407 3.89510 1.92750 -131.76252 534.05544
7160.0000 -135.04170 -131.51216 3.52954 1.95576 -131.35877 557.38622
7165.0000 -135.25201 -132.11375 3.13827 1.92387 -131.81437 525.43606
7170.0000 -135.20447 -131.45503 3.74944 1.91515 -131.93894 513.93912
7175.0000 -135.68382 -132.21137 3.47246 1.91777 -131.90153 528.08758
7180.0000 -135.24048 -131.38927 3.85121 1.89814 -132.18206 503.87007
7185.0000 -135.08865 -131.63927 3.44938 1.95110 -131.42546 545.24475
7190.0000 -134.74905 -131.09821 3.65084 1.92609 -131.78269 524.96413
7195.0000 -134.98448 -130.49017 4.49431 1.99162 -130.84644 587.82243
7200.0000 -134.77944 -130.87276 3.90667 1.97652 -131.06222 564.48830
7205.0000 -135.00982 -131.91925 3.09057 1.95880 -131.31543 551.90132
7210.0000 -135.56546 -132.07616 3.48930 1.92327 -131.82303 524.25711
7215.0000 -135.52101 -132.14992 3.37109 1.91131 -131.99390 512.49637
7220.0000 -135.69918 -131.95591 3.74326 1.95065 -131.43185 549.94378
7225.0000 -134.41948 -130.43258 3.98690 1.96698 -131.19859 562.95111
7230.0000 -134.57625 -130.26040 4.31585 2.03705 -130.19752 611.55651
7235.0000 -135.34254 -132.12819 3.21436 1.94654 -131.49050 544.13369
7240.0000 -134.96772 -131.73053 3.23719 1.91792 -131.89943 517.28959
7245.0000 -135.90142 -132.57570 3.32571 1.90709 -132.05408 508.50228
7250.0000 -135.41329 -131.61070 3.80260 1.91973 -131.87360 519.20250
FREEZING PROCESS: loop number 30 T-loop= 518.00000000000000
main_MD> interactions number 30 at Temperature= 518.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85432 -0.62948 1.72401
force_rgl> df(natom) -0.09817 2.93053 -2.70781
7255.0000 -135.06932 -131.77829 3.29103 1.89011 -132.29677 495.45625
7260.0000 -134.81305 -131.13717 3.67588 1.95062 -131.43232 550.93939
7265.0000 -134.81138 -131.17259 3.63879 1.98020 -131.00962 578.21606
7270.0000 -134.82809 -130.71962 4.10847 1.94390 -131.52831 523.35134
7275.0000 -135.40310 -132.11592 3.28718 1.94992 -131.44224 518.31583
7280.0000 -135.26950 -131.79561 3.47389 1.91520 -131.93830 484.49669
7285.0000 -134.74944 -131.28016 3.46928 1.95481 -131.37235 527.63237
7290.0000 -135.19860 -131.72992 3.46868 1.90767 -132.04585 464.72779
7295.0000 -134.74469 -131.45237 3.29232 1.94353 -131.53359 501.65845
7300.0000 -134.61300 -130.03722 4.57578 1.97715 -131.05321 531.07375
7305.0000 -134.42156 -131.29347 3.12809 2.02377 -130.38719 556.38700
7310.0000 -135.11631 -131.51215 3.60417 1.95103 -131.42641 505.49691
7315.0000 -133.93822 -130.23805 3.70016 1.99370 -130.81673 547.96877
7320.0000 -133.87705 -130.43429 3.44276 2.02328 -130.39425 568.77341
7325.0000 -134.43943 -130.11638 4.32305 2.03076 -130.28727 586.60129
7330.0000 -134.89093 -131.54510 3.34582 2.02250 -130.40527 601.78376
7335.0000 -135.42084 -132.18969 3.23115 1.89451 -132.23389 495.32550
7340.0000 -135.44583 -132.38730 3.05853 1.89251 -132.26248 497.64478
7345.0000 -135.99214 -132.79857 3.19357 1.87806 -132.46883 493.09935
7350.0000 -135.74893 -131.65026 4.09868 1.87519 -132.50992 481.07019
7355.0000 -135.28843 -131.82733 3.46110 1.91239 -131.97839 512.44046
7360.0000 -135.52680 -132.25252 3.27429 1.91862 -131.88945 522.57131
7365.0000 -134.93469 -131.57289 3.36180 1.89650 -132.20544 499.23555
7370.0000 -135.93642 -132.94050 2.99592 1.88695 -132.34191 497.98390
7375.0000 -136.01138 -132.77109 3.24029 1.88946 -132.30608 491.54731
7380.0000 -136.01464 -132.06377 3.95087 1.90951 -132.01958 510.79935
7385.0000 -136.69804 -132.58823 4.10981 1.89383 -132.24364 493.59393
7390.0000 -135.81870 -132.04210 3.77660 1.87691 -132.48526 484.62082
7395.0000 -134.92475 -130.98595 3.93880 1.94436 -131.52163 538.71249
7400.0000 -135.10462 -131.14556 3.95906 1.96405 -131.24037 552.37961
7405.0000 -135.72623 -132.69112 3.03511 1.91612 -131.92520 513.34898
7410.0000 -136.23114 -133.20891 3.02223 1.88510 -132.36831 489.52906
7415.0000 -135.29158 -131.61087 3.68070 1.89715 -132.19620 497.91995
7420.0000 -135.67023 -132.68159 2.98864 1.92000 -131.86968 529.48474
7425.0000 -135.59515 -132.00437 3.59078 1.90886 -132.02890 517.77841
7430.0000 -136.04446 -132.79035 3.25411 1.88366 -132.38889 489.40844
7435.0000 -135.72981 -132.67926 3.05056 1.85521 -132.79541 463.66949
7440.0000 -135.96655 -132.91660 3.04995 1.83053 -133.14793 441.49221
7445.0000 -136.74638 -133.84240 2.90398 1.85565 -132.78911 465.56564
7450.0000 -135.81502 -132.66003 3.15499 1.80106 -133.56894 413.39776
7455.0000 -135.34131 -132.03108 3.31023 1.91055 -132.00469 516.10459
7460.0000 -135.98787 -132.46512 3.52276 1.87663 -132.48938 485.62529
7465.0000 -135.99428 -132.03621 3.95807 1.89679 -132.20137 501.39268
7470.0000 -135.35231 -131.53619 3.81612 1.90757 -132.04727 513.77551
7475.0000 -134.37982 -131.01905 3.36078 1.95686 -131.34317 553.28506
7480.0000 -136.07344 -132.73902 3.33442 1.94735 -131.47897 548.94666
7485.0000 -135.91810 -132.63312 3.28498 1.86103 -132.71218 469.24067
7490.0000 -135.75537 -132.50216 3.25320 1.87222 -132.55231 476.28639
7495.0000 -136.86028 -133.35108 3.50919 1.84922 -132.88094 461.89100
7500.0000 -136.16041 -133.06576 3.09465 1.83956 -133.01892 448.30344
FREEZING PROCESS: loop number 31 T-loop= 493.00000000000000
main_MD> interactions number 31 at Temperature= 493.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31378 -0.98098 2.01278
force_rgl> df(natom) -1.07086 1.08103 0.28543
7505.0000 -136.31854 -133.42394 2.89460 1.81982 -133.30101 428.00921
7510.0000 -135.40281 -132.26118 3.14163 1.87387 -132.52882 480.72884
7515.0000 -135.51082 -131.90888 3.60194 1.92482 -131.80081 523.37543
7520.0000 -135.85111 -132.76037 3.09074 1.88146 -132.42026 490.38715
7525.0000 -135.93150 -132.69704 3.23445 1.85596 -132.78458 463.90649
7530.0000 -135.22016 -131.47287 3.74730 1.92371 -131.81677 518.21087
7535.0000 -136.24301 -132.93298 3.31003 1.90931 -132.02243 505.69683
7540.0000 -136.02248 -133.28948 2.73300 1.84720 -132.90979 455.42292
7545.0000 -136.24424 -133.17517 3.06907 1.82592 -133.21373 444.49874
7550.0000 -136.40525 -133.59281 2.81245 1.79371 -133.67395 405.93513
7555.0000 -136.29211 -133.35569 2.93643 1.79558 -133.64730 408.00661
7560.0000 -135.51230 -132.17402 3.33828 1.86684 -132.62921 470.02461
7565.0000 -135.56094 -131.45504 4.10591 1.93849 -131.60552 543.46700
7570.0000 -135.44175 -131.80508 3.63667 1.92417 -131.81020 524.06380
7575.0000 -135.48889 -131.97850 3.51039 1.92885 -131.74334 533.86493
7580.0000 -136.01439 -132.35674 3.65765 1.88012 -132.43948 497.97515
7585.0000 -135.12672 -132.12881 2.99791 1.87053 -132.57645 471.99124
7590.0000 -135.46366 -131.89963 3.56404 1.92023 -131.86640 524.25563
7595.0000 -135.63753 -132.02355 3.61398 1.90579 -132.07267 515.48103
7600.0000 -135.08716 -130.86520 4.22196 1.95938 -131.30713 553.18741
7605.0000 -135.84824 -131.59869 4.24956 1.99512 -130.79647 582.59440
7610.0000 -134.76185 -131.26660 3.49525 1.96989 -131.15697 574.10958
7615.0000 -135.21984 -131.94942 3.27042 1.94207 -131.55446 528.81625
7620.0000 -136.14317 -132.23533 3.90783 1.91428 -131.95138 513.96470
7625.0000 -135.51617 -132.41265 3.10351 1.88881 -132.31526 498.91222
7630.0000 -136.12208 -132.67554 3.44653 1.89409 -132.23987 485.59571
7635.0000 -135.39966 -132.83969 2.55997 1.82640 -133.20695 431.06699
7640.0000 -136.02528 -132.10433 3.92095 1.90051 -132.14814 503.89949
7645.0000 -135.92527 -132.05565 3.86963 1.89388 -132.24283 502.02690
7650.0000 -135.53216 -132.35970 3.17246 1.88265 -132.40329 485.26398
7655.0000 -136.01301 -133.11379 2.89922 1.87151 -132.56252 479.59120
7660.0000 -135.69515 -132.60289 3.09225 1.86399 -132.66992 473.34973
7665.0000 -136.29435 -133.17196 3.12239 1.86442 -132.66377 475.46646
7670.0000 -135.64667 -132.16728 3.47939 1.85673 -132.77367 469.38676
7675.0000 -135.80031 -131.90654 3.89377 1.90720 -132.05258 506.62460
7680.0000 -136.41597 -132.17022 4.24574 1.89304 -132.25486 496.70086
7685.0000 -135.97516 -132.63974 3.33543 1.89286 -132.25747 497.75282
7690.0000 -135.79088 -132.04322 3.74766 1.87821 -132.46679 482.62873
7695.0000 -135.87087 -132.42641 3.44446 1.92785 -131.75756 531.76496
7700.0000 -135.86277 -132.92908 2.93369 1.87488 -132.51428 475.81402
7705.0000 -135.58834 -132.29414 3.29420 1.85911 -132.73957 466.04610
7710.0000 -135.63320 -132.16455 3.46866 1.88543 -132.36364 489.33808
7715.0000 -135.47518 -131.75176 3.72342 1.92465 -131.80328 537.04861
7720.0000 -135.98995 -132.71102 3.27893 1.86529 -132.65130 482.78192
7725.0000 -136.05962 -132.54611 3.51350 1.88067 -132.43159 483.24815
7730.0000 -135.57242 -131.95821 3.61421 1.91386 -131.95748 516.71934
7735.0000 -135.82243 -132.95545 2.86698 1.89032 -132.29366 498.38689
7740.0000 -135.50958 -132.73205 2.77753 1.83245 -133.12056 447.72920
7745.0000 -135.77996 -132.46979 3.31016 1.86427 -132.66588 470.80818
7750.0000 -136.04412 -132.15795 3.88618 1.90779 -132.04420 516.38777
FREEZING PROCESS: loop number 32 T-loop= 468.00000000000000
main_MD> interactions number 32 at Temperature= 468.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65725 2.27673 -0.16561
force_rgl> df(natom) -1.45482 2.72897 1.20505
7755.0000 -135.45158 -132.32607 3.12551 1.91386 -131.95745 517.44362
7760.0000 -135.48200 -132.15567 3.32633 1.87708 -132.48288 486.67842
7765.0000 -134.77657 -131.94692 2.82965 1.89847 -132.17724 500.34523
7770.0000 -135.37776 -132.11809 3.25966 1.89871 -132.17388 500.62520
7775.0000 -135.89025 -133.13418 2.75607 1.86243 -132.69218 468.17624
7780.0000 -135.95694 -132.48995 3.46699 1.84802 -132.89810 462.94131
7785.0000 -136.37395 -132.86318 3.51077 1.88362 -132.38944 491.72357
7790.0000 -136.09020 -133.09887 2.99134 1.85588 -132.78580 475.89913
7795.0000 -136.21636 -132.89595 3.32041 1.83408 -133.09727 448.43309
7800.0000 -135.06754 -131.94459 3.12294 1.87881 -132.45817 491.71631
7805.0000 -136.59684 -133.19707 3.39978 1.87073 -132.57365 479.36433
7810.0000 -135.79918 -132.92804 2.87114 1.84247 -132.97742 456.68748
7815.0000 -136.72470 -133.14845 3.57624 1.83334 -133.10780 445.06030
7820.0000 -137.15919 -134.08980 3.06939 1.81990 -133.29975 438.17658
7825.0000 -136.09754 -133.29299 2.80455 1.78668 -133.77436 399.35292
7830.0000 -136.35340 -133.79096 2.56244 1.80747 -133.47738 418.68529
7835.0000 -136.09209 -133.32977 2.76232 1.81134 -133.42209 418.74942
7840.0000 -136.43916 -133.48132 2.95784 1.81730 -133.33692 430.46375
7845.0000 -135.81962 -132.57671 3.24291 1.85762 -132.76092 463.58132
7850.0000 -135.70233 -133.17890 2.52343 1.84908 -132.88291 451.25200
7855.0000 -136.57764 -133.41496 3.16268 1.78340 -133.82121 394.25377
7860.0000 -136.24944 -133.01160 3.23784 1.84523 -132.93793 452.75358
7865.0000 -136.69520 -133.94396 2.75124 1.76967 -134.01741 383.06381
7870.0000 -136.14785 -132.55063 3.59722 1.83805 -133.04052 452.36769
7875.0000 -135.89015 -132.75662 3.13353 1.86089 -132.71416 468.88133
7880.0000 -135.91303 -132.74775 3.16527 1.82062 -133.28954 431.55989
7885.0000 -136.09154 -132.30856 3.78298 1.88187 -132.41453 484.26164
7890.0000 -136.04057 -132.68279 3.35779 1.86872 -132.60233 479.15189
7895.0000 -136.15276 -132.68659 3.46617 1.88573 -132.35925 487.03267
7900.0000 -135.99637 -133.27542 2.72096 1.82325 -133.25190 433.16395
7905.0000 -135.99180 -132.71996 3.27184 1.83716 -133.05326 448.87916
7910.0000 -135.90970 -132.75449 3.15522 1.85559 -132.78994 463.38401
7915.0000 -136.14827 -133.30080 2.84747 1.82711 -133.19675 438.51574
7920.0000 -136.07687 -132.76334 3.31353 1.86196 -132.69892 463.27887
7925.0000 -135.85928 -132.54152 3.31776 1.86177 -132.70163 465.72421
7930.0000 -136.48167 -133.67992 2.80175 1.82081 -133.28683 431.54302
7935.0000 -136.35910 -133.23533 3.12377 1.81366 -133.38890 426.38994
7940.0000 -136.58913 -133.57091 3.01822 1.85061 -132.86100 465.68519
7945.0000 -135.99427 -133.61997 2.37431 1.81244 -133.40635 421.24724
7950.0000 -136.23457 -132.55899 3.67558 1.84491 -132.94256 455.08406
7955.0000 -135.62320 -131.59056 4.03263 1.88585 -132.35758 488.87815
7960.0000 -135.90599 -132.31911 3.58688 1.91409 -131.95419 522.77411
7965.0000 -135.90661 -132.21308 3.69353 1.87175 -132.55904 477.13139
7970.0000 -135.98668 -131.95640 4.03028 1.90418 -132.09569 506.15868
7975.0000 -135.46849 -132.48402 2.98447 1.90353 -132.10502 502.43892
7980.0000 -135.91016 -132.50982 3.40034 1.87201 -132.55539 483.09516
7985.0000 -135.54400 -132.47726 3.06675 1.89201 -132.26959 497.70973
7990.0000 -136.26146 -132.98587 3.27559 1.86607 -132.64013 478.26485
7995.0000 -135.13770 -132.22855 2.90915 1.86914 -132.59638 475.03519
8000.0000 -136.14772 -132.65640 3.49132 1.87781 -132.47252 484.45260
FREEZING PROCESS: loop number 33 T-loop= 443.00000000000000
main_MD> interactions number 33 at Temperature= 443.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23217 0.66840 0.40488
force_rgl> df(natom) -0.39145 2.79234 0.81876
8005.0000 -136.32710 -133.55529 2.77181 1.80954 -133.44777 420.27263
8010.0000 -136.38498 -133.11847 3.26651 1.83795 -133.04194 449.32783
8015.0000 -136.50338 -133.18221 3.32117 1.84210 -132.98260 459.63611
8020.0000 -136.34985 -133.27353 3.07631 1.81597 -133.35599 429.17981
8025.0000 -136.56250 -132.84706 3.71543 1.81960 -133.30408 433.29960
8030.0000 -135.48310 -132.82773 2.65537 1.84146 -132.99175 448.43947
8035.0000 -136.04794 -133.20509 2.84285 1.83694 -133.05640 442.57718
8040.0000 -136.18232 -133.35352 2.82881 1.82953 -133.16225 440.83667
8045.0000 -135.55138 -132.58673 2.96465 1.84516 -132.93898 453.18096
8050.0000 -136.41344 -132.77745 3.63599 1.87427 -132.52308 486.98450
8055.0000 -136.74018 -133.82411 2.91607 1.83217 -133.12443 449.23089
8060.0000 -136.67644 -133.75258 2.92386 1.80994 -133.44208 422.78193
8065.0000 -135.58643 -132.84752 2.73892 1.81704 -133.34065 424.85388
8070.0000 -135.38994 -132.25659 3.13334 1.84818 -132.89584 462.51071
8075.0000 -135.87197 -132.90541 2.96655 1.85539 -132.79282 468.87609
8080.0000 -135.57527 -132.39081 3.18446 1.86000 -132.72689 472.24219
8085.0000 -136.27044 -132.86480 3.40565 1.89078 -132.28722 495.13817
8090.0000 -136.35762 -132.95148 3.40614 1.86811 -132.61105 471.63172
8095.0000 -136.44751 -133.59429 2.85322 1.83488 -133.08578 443.04285
8100.0000 -136.29770 -133.57657 2.72112 1.80548 -133.50578 418.62655
8105.0000 -136.41953 -133.26399 3.15554 1.81249 -133.40559 427.56717
8110.0000 -136.22299 -133.24359 2.97940 1.80626 -133.49463 418.62683
8115.0000 -136.34033 -133.34663 2.99370 1.83401 -133.09825 445.95224
8120.0000 -136.41518 -133.49227 2.92291 1.80793 -133.47080 419.76439
8125.0000 -135.85786 -132.98603 2.87183 1.82405 -133.24050 436.67484
8130.0000 -135.99944 -132.48316 3.51628 1.88107 -132.42582 484.52961
8135.0000 -136.43804 -133.72086 2.71717 1.83395 -133.09900 442.78192
8140.0000 -136.47028 -133.40676 3.06352 1.79050 -133.71989 403.92562
8145.0000 -135.86819 -133.12524 2.74294 1.79850 -133.60556 409.10364
8150.0000 -136.10009 -133.57373 2.52636 1.80184 -133.55784 416.26861
8155.0000 -136.92954 -133.49914 3.43040 1.79787 -133.61450 407.77454
8160.0000 -137.18827 -134.56634 2.62193 1.75873 -134.17370 370.78641
8165.0000 -136.24653 -133.73918 2.50735 1.75391 -134.24252 367.43589
8170.0000 -136.28804 -133.84315 2.44489 1.80038 -133.57871 411.91595
8175.0000 -136.12530 -132.92473 3.20056 1.82074 -133.28779 433.23688
8180.0000 -135.58263 -132.28642 3.29621 1.84939 -132.87856 457.60330
8185.0000 -136.50877 -132.93623 3.57254 1.88827 -132.32299 495.20454
8190.0000 -136.54723 -133.47733 3.06990 1.81571 -133.35966 428.67301
8195.0000 -136.52080 -133.49063 3.03016 1.80503 -133.51223 417.16915
8200.0000 -136.35470 -133.23835 3.11635 1.83328 -133.10866 445.26749
8205.0000 -136.75329 -133.67879 3.07449 1.84433 -132.95073 453.73711
8210.0000 -136.98869 -133.73621 3.25249 1.80441 -133.52116 416.78852
8215.0000 -136.15731 -132.95329 3.20401 1.79069 -133.71711 404.06671
8220.0000 -135.55293 -132.04659 3.50635 1.86244 -132.69205 460.46692
8225.0000 -136.31703 -132.87168 3.44536 1.88915 -132.31043 491.37905
8230.0000 -136.15915 -132.79470 3.36446 1.84292 -132.97092 454.80979
8235.0000 -136.40465 -133.64051 2.76414 1.81719 -133.33845 428.17845
8240.0000 -136.60647 -133.21722 3.38925 1.82240 -133.26407 437.06069
8245.0000 -136.94233 -133.97714 2.96519 1.81233 -133.40801 424.91971
8250.0000 -136.91287 -133.79381 3.11907 1.75907 -134.16886 371.40947
FREEZING PROCESS: loop number 34 T-loop= 418.00000000000000
main_MD> interactions number 34 at Temperature= 418.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56482 -0.91251 -3.26808
force_rgl> df(natom) -0.10505 -0.53033 -2.15456
8255.0000 -136.49825 -134.02931 2.46894 1.77987 -133.87163 396.68605
8260.0000 -135.94457 -133.65455 2.29002 1.78021 -133.86680 392.59735
8265.0000 -136.61507 -133.31152 3.30355 1.82650 -133.20546 439.74469
8270.0000 -136.42079 -133.73780 2.68299 1.78196 -133.84189 396.67230
8275.0000 -136.25981 -133.57840 2.68141 1.78962 -133.73245 400.64322
8280.0000 -135.84301 -133.34408 2.49893 1.80358 -133.53290 414.29214
8285.0000 -136.54291 -133.58397 2.95895 1.79091 -133.71401 403.96274
8290.0000 -136.40708 -133.28662 3.12046 1.82842 -133.17815 434.61561
8295.0000 -136.49813 -133.47744 3.02069 1.83830 -133.03699 442.08281
8300.0000 -135.95046 -132.96253 2.98794 1.82167 -133.27448 432.23175
8305.0000 -135.58909 -133.09147 2.49763 1.82529 -133.22273 439.82642
8310.0000 -136.21073 -133.60465 2.60608 1.80561 -133.50398 420.85988
8315.0000 -136.77040 -134.00022 2.77018 1.79460 -133.66131 407.37889
8320.0000 -136.60866 -133.71385 2.89480 1.77324 -133.96639 387.79097
8325.0000 -136.08504 -132.97841 3.10662 1.81575 -133.35915 423.27940
8330.0000 -136.40980 -133.20003 3.20976 1.85544 -132.79205 470.18528
8335.0000 -136.47253 -132.70417 3.76837 1.86178 -132.70151 469.90369
8340.0000 -135.78050 -132.71943 3.06107 1.85485 -132.80043 464.62101
8345.0000 -136.65741 -133.99497 2.66244 1.80968 -133.44584 420.20553
8350.0000 -136.25864 -133.96122 2.29742 1.78250 -133.83413 395.65927
8355.0000 -136.75142 -133.40914 3.34228 1.80651 -133.49110 416.49007
8360.0000 -136.11287 -133.33243 2.78044 1.83968 -133.01724 451.62124
8365.0000 -136.47154 -133.87159 2.59995 1.80671 -133.48817 425.88653
8370.0000 -136.78692 -134.31597 2.47096 1.77032 -134.00811 386.83701
8375.0000 -136.72978 -133.52551 3.20426 1.78027 -133.86601 394.94422
8380.0000 -137.06026 -134.02767 3.03259 1.79566 -133.64610 412.93997
8385.0000 -136.67968 -133.36415 3.31553 1.78410 -133.81126 396.37880
8390.0000 -136.30803 -133.81175 2.49628 1.77552 -133.93387 387.76409
8395.0000 -135.81865 -133.27774 2.54091 1.80491 -133.51394 415.61600
8400.0000 -135.76516 -133.02045 2.74471 1.83448 -133.09149 445.20432
8405.0000 -136.56075 -133.32578 3.23498 1.81673 -133.34507 424.56488
8410.0000 -136.81981 -133.73460 3.08521 1.78604 -133.78352 402.24737
8415.0000 -136.39752 -132.92373 3.47379 1.82317 -133.25304 435.11548
8420.0000 -135.94170 -133.17545 2.76625 1.85709 -132.76844 464.20761
8425.0000 -136.66373 -133.68191 2.98182 1.82390 -133.24268 437.14470
8430.0000 -135.84599 -133.19674 2.64925 1.82164 -133.27497 430.52594
8435.0000 -136.79634 -133.71269 3.08364 1.82983 -133.15796 435.62819
8440.0000 -136.94540 -133.95946 2.98594 1.76507 -134.08316 381.66832
8445.0000 -136.70164 -134.17034 2.53130 1.77392 -133.95667 387.08854
8450.0000 -136.80018 -133.97770 2.82248 1.78182 -133.84383 400.27315
8455.0000 -136.47752 -134.07808 2.39945 1.77684 -133.91493 389.35217
8460.0000 -136.45675 -133.58068 2.87607 1.78461 -133.80404 409.07883
8465.0000 -135.88998 -133.38678 2.50319 1.80647 -133.49160 420.70484
8470.0000 -136.38674 -133.17021 3.21653 1.82679 -133.20136 438.31121
8475.0000 -136.50054 -133.76449 2.73605 1.80402 -133.52661 413.97964
8480.0000 -136.51446 -134.05886 2.45560 1.78556 -133.79041 399.71114
8485.0000 -136.44047 -133.33911 3.10137 1.77557 -133.93315 391.12373
8490.0000 -135.91150 -133.63905 2.27245 1.84400 -132.95548 447.18049
8495.0000 -136.21005 -133.33612 2.87393 1.77459 -133.94711 385.01093
8500.0000 -136.51521 -133.14421 3.37100 1.83084 -133.14347 440.92065
FREEZING PROCESS: loop number 35 T-loop= 393.00000000000000
main_MD> interactions number 35 at Temperature= 393.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09975 0.23494 -1.41820
force_rgl> df(natom) -1.20829 2.88716 2.19397
8505.0000 -136.51847 -133.59041 2.92807 1.84138 -132.99296 449.02072
8510.0000 -136.58668 -133.65571 2.93096 1.80362 -133.53239 419.59410
8515.0000 -136.60125 -133.21223 3.38902 1.80874 -133.45925 428.43676
8520.0000 -136.45877 -133.81383 2.64494 1.81389 -133.38562 425.59564
8525.0000 -136.58316 -133.72094 2.86221 1.79831 -133.60826 413.56669
8530.0000 -136.90658 -133.82242 3.08416 1.80148 -133.56299 417.51446
8535.0000 -136.78093 -134.16261 2.61832 1.77254 -133.97639 385.51320
8540.0000 -136.32163 -133.93685 2.38478 1.75783 -134.18662 369.29539
8545.0000 -136.79309 -133.99052 2.80257 1.75863 -134.17517 376.10431
8550.0000 -136.40189 -133.82219 2.57970 1.78557 -133.79022 393.07206
8555.0000 -136.87936 -133.78766 3.09170 1.79223 -133.69515 406.37343
8560.0000 -137.12492 -134.25003 2.87488 1.78458 -133.80441 403.90087
8565.0000 -136.36480 -133.61545 2.74935 1.76881 -134.02973 382.66511
8570.0000 -136.06898 -133.40638 2.66259 1.80406 -133.52604 413.18400
8575.0000 -137.06607 -134.18657 2.87949 1.78560 -133.78983 396.92033
8580.0000 -136.92921 -133.79805 3.13116 1.77094 -133.99930 391.57166
8585.0000 -136.77707 -133.27667 3.50040 1.79029 -133.72276 406.21362
8590.0000 -136.09216 -132.85097 3.24119 1.81246 -133.40604 425.75359
8595.0000 -136.12495 -133.24162 2.88334 1.84167 -132.98880 452.83705
8600.0000 -136.63579 -134.11610 2.51969 1.78674 -133.77351 404.38814
8605.0000 -137.23602 -134.68316 2.55286 1.75285 -134.25768 372.63985
8610.0000 -136.51483 -134.12631 2.38852 1.75555 -134.21911 377.49248
8615.0000 -136.32627 -133.53609 2.79018 1.78609 -133.78280 399.23950
8620.0000 -136.90272 -134.37520 2.52751 1.78393 -133.81371 398.18381
8625.0000 -136.86709 -134.06524 2.80185 1.74658 -134.34734 360.39124
8630.0000 -136.46853 -133.97826 2.49027 1.78681 -133.77248 398.10046
8635.0000 -136.74585 -134.01094 2.73491 1.77077 -134.00167 386.20331
8640.0000 -136.56985 -133.75766 2.81219 1.76699 -134.05572 379.23597
8645.0000 -136.84475 -134.30323 2.54152 1.74111 -134.42537 358.51067
8650.0000 -137.09441 -134.24916 2.84525 1.76030 -134.15129 375.02090
8655.0000 -136.73023 -134.13377 2.59646 1.77072 -134.00248 385.81345
8660.0000 -137.06748 -134.24050 2.82698 1.75469 -134.23147 370.22201
8665.0000 -136.44989 -133.62483 2.82506 1.76639 -134.06425 380.25505
8670.0000 -136.06827 -133.39499 2.67328 1.82022 -133.29526 430.17568
8675.0000 -136.73374 -134.39004 2.34369 1.77002 -134.01243 384.01763
8680.0000 -135.82183 -133.08538 2.73645 1.77606 -133.92616 386.73757
8685.0000 -136.29986 -133.50509 2.79477 1.80017 -133.58161 416.07535
8690.0000 -136.72327 -133.53652 3.18675 1.78305 -133.82628 396.94672
8695.0000 -136.61657 -133.97943 2.63714 1.78247 -133.83448 391.15587
8700.0000 -136.36739 -132.80110 3.56629 1.81194 -133.41346 418.96097
8705.0000 -136.80126 -134.00763 2.79363 1.79864 -133.60355 409.99370
8710.0000 -136.75356 -134.06421 2.68935 1.76239 -134.12148 373.11684
8715.0000 -136.60480 -133.66904 2.93576 1.75458 -134.23299 369.31986
8720.0000 -136.95276 -134.77901 2.17375 1.76528 -134.08009 379.81246
8725.0000 -136.96103 -134.51574 2.44529 1.73236 -134.55052 350.12554
8730.0000 -136.94915 -133.92569 3.02346 1.76388 -134.10015 379.82579
8735.0000 -136.17606 -133.10612 3.06994 1.78119 -133.85277 393.32862
8740.0000 -136.48852 -133.17741 3.31111 1.83116 -133.13897 443.29869
8745.0000 -136.70729 -134.09824 2.60905 1.80638 -133.49291 417.16041
8750.0000 -136.99134 -134.60381 2.38753 1.75978 -134.15868 376.47454
FREEZING PROCESS: loop number 36 T-loop= 368.00000000000000
main_MD> interactions number 36 at Temperature= 368.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35622 1.13529 0.30668
force_rgl> df(natom) 0.50328 -0.82484 -3.16837
8755.0000 -137.07034 -134.63147 2.43888 1.73078 -134.57302 345.79360
8760.0000 -136.78268 -134.45712 2.32555 1.74115 -134.42486 356.73774
8765.0000 -136.49394 -134.21084 2.28310 1.76010 -134.15415 374.32404
8770.0000 -136.46820 -133.47015 2.99805 1.78346 -133.82046 398.59956
8775.0000 -136.91796 -134.53351 2.38445 1.76159 -134.13291 378.62255
8780.0000 -137.06333 -134.30629 2.75703 1.75757 -134.19034 370.73929
8785.0000 -136.81088 -133.84734 2.96354 1.77032 -134.00819 383.13038
8790.0000 -136.61522 -134.15272 2.46250 1.76978 -134.01587 383.10177
8795.0000 -136.71313 -134.16376 2.54938 1.76207 -134.12602 377.44741
8800.0000 -136.70701 -133.91642 2.79059 1.75982 -134.15807 380.45407
8805.0000 -137.15449 -134.53377 2.62072 1.75765 -134.18921 374.51875
8810.0000 -136.99004 -134.58629 2.40375 1.75189 -134.27137 368.19749
8815.0000 -137.02578 -134.63991 2.38587 1.70654 -134.91926 320.65102
8820.0000 -137.22362 -134.79978 2.42385 1.73112 -134.56816 352.06291
8825.0000 -136.81897 -134.48921 2.32976 1.71873 -134.74515 335.24190
8830.0000 -137.12008 -134.73348 2.38660 1.74050 -134.43417 357.16866
8835.0000 -137.13194 -133.85431 3.27763 1.73029 -134.57999 349.32285
8840.0000 -136.64828 -134.14958 2.49870 1.75942 -134.16380 374.76615
8845.0000 -136.48072 -134.34782 2.13290 1.76083 -134.14377 375.72902
8850.0000 -136.77183 -134.56804 2.20378 1.74557 -134.36172 359.92529
8855.0000 -136.95272 -133.89114 3.06158 1.74702 -134.34101 368.39395
8860.0000 -136.67185 -134.44754 2.22431 1.76252 -134.11952 381.45106
8865.0000 -136.77845 -134.14224 2.63620 1.73229 -134.55145 352.70779
8870.0000 -136.26034 -133.78362 2.47672 1.80262 -133.54667 414.17800
8875.0000 -136.91886 -134.16506 2.75380 1.77734 -133.90789 391.89981
8880.0000 -137.27137 -134.57670 2.69468 1.74502 -134.36960 362.49839
8885.0000 -137.12135 -134.73549 2.38586 1.73250 -134.54850 353.10929
8890.0000 -137.15859 -134.90692 2.25167 1.71498 -134.79881 334.12216
8895.0000 -136.60404 -134.37395 2.23009 1.73646 -134.49193 351.07000
8900.0000 -136.87696 -134.37334 2.50362 1.75278 -134.25878 365.29937
8905.0000 -136.86584 -134.06875 2.79709 1.77282 -133.97242 385.91716
8910.0000 -136.73171 -134.44400 2.28771 1.77080 -134.00129 386.22346
8915.0000 -136.69173 -134.39272 2.29901 1.75092 -134.28531 363.98874
8920.0000 -136.66720 -133.99633 2.67087 1.73557 -134.50459 354.98901
8925.0000 -137.03845 -134.18894 2.84951 1.77922 -133.88103 392.74065
8930.0000 -136.78234 -134.11691 2.66543 1.77114 -133.99648 386.24735
8935.0000 -136.68823 -133.74644 2.94179 1.77780 -133.90126 391.23787
8940.0000 -137.17368 -134.99336 2.18032 1.75341 -134.24966 366.42350
8945.0000 -136.92704 -134.62570 2.30134 1.72356 -134.67611 340.55168
8950.0000 -136.89913 -134.57332 2.32582 1.73794 -134.47074 359.73001
8955.0000 -136.96109 -134.46124 2.49985 1.73413 -134.52513 348.85256
8960.0000 -136.48265 -134.00844 2.47421 1.75017 -134.29607 367.54070
8965.0000 -136.77805 -134.10858 2.66947 1.76086 -134.14323 378.22199
8970.0000 -136.70592 -134.15119 2.55473 1.76542 -134.07809 377.47667
8975.0000 -136.81611 -134.04031 2.77580 1.77892 -133.88529 394.51234
8980.0000 -136.63183 -133.98588 2.64595 1.78312 -133.82529 391.75230
8985.0000 -136.21262 -133.05008 3.16254 1.79541 -133.64967 405.36403
8990.0000 -136.55596 -134.28096 2.27500 1.80001 -133.58400 412.11373
8995.0000 -137.08149 -133.95708 3.12440 1.77798 -133.89865 391.49206
9000.0000 -137.03396 -135.11232 1.92164 1.73048 -134.57737 350.57161
FREEZING PROCESS: loop number 37 T-loop= 343.00000000000000
main_MD> interactions number 37 at Temperature= 343.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57373 0.15445 -0.40995
force_rgl> df(natom) -0.93750 -0.30080 -2.29878
9005.0000 -137.12175 -135.09718 2.02457 1.68905 -135.16917 303.58192
9010.0000 -136.63869 -134.39501 2.24367 1.72399 -134.67001 338.86179
9015.0000 -136.95690 -134.45834 2.49857 1.74206 -134.41191 355.82721
9020.0000 -137.19769 -134.59390 2.60378 1.73152 -134.56240 345.57283
9025.0000 -137.01601 -134.78494 2.23107 1.72263 -134.68942 347.00298
9030.0000 -137.48318 -134.93895 2.54424 1.70497 -134.94173 322.48829
9035.0000 -137.44363 -134.90872 2.53491 1.71108 -134.85453 326.13185
9040.0000 -137.03997 -134.61377 2.42620 1.71160 -134.84703 328.59107
9045.0000 -137.22693 -134.97920 2.24773 1.73049 -134.57719 344.93067
9050.0000 -136.95580 -134.79600 2.15980 1.69144 -135.13509 309.90880
9055.0000 -136.94113 -134.69565 2.24548 1.72379 -134.67294 341.07417
9060.0000 -136.40242 -133.80988 2.59254 1.75869 -134.17423 372.08908
9065.0000 -136.88623 -134.68717 2.19907 1.74341 -134.39264 360.89904
9070.0000 -136.66569 -134.04111 2.62458 1.71430 -134.80852 329.33003
9075.0000 -136.76453 -134.59524 2.16929 1.75641 -134.20687 375.81471
9080.0000 -136.99490 -134.40049 2.59441 1.74110 -134.42556 357.42633
9085.0000 -136.95700 -134.79578 2.16123 1.72771 -134.61687 340.86826
9090.0000 -136.88195 -134.60598 2.27597 1.73096 -134.57039 346.57340
9095.0000 -136.82311 -134.79014 2.03297 1.70748 -134.90583 323.58917
9100.0000 -136.56951 -134.03535 2.53416 1.76935 -134.02193 384.12435
9105.0000 -137.45980 -134.52846 2.93134 1.73931 -134.45121 354.11710
9110.0000 -137.63438 -134.46293 3.17145 1.74483 -134.37230 367.28617
9115.0000 -136.74689 -134.13931 2.60758 1.73741 -134.47837 356.08525
9120.0000 -136.82812 -134.69301 2.13510 1.72829 -134.60860 344.79678
9125.0000 -137.45297 -135.10750 2.34547 1.70521 -134.93836 321.67526
9130.0000 -137.34389 -134.79977 2.54412 1.70557 -134.93325 322.24013
9135.0000 -137.03731 -134.42386 2.61345 1.73895 -134.45635 356.26157
9140.0000 -137.55582 -134.96717 2.58865 1.72280 -134.68699 339.10060
9145.0000 -137.45065 -135.11876 2.33189 1.69834 -135.03651 317.96377
9150.0000 -137.53979 -135.27381 2.26598 1.68373 -135.24519 301.88058
9155.0000 -137.14081 -135.02625 2.11456 1.68048 -135.29164 296.80249
9160.0000 -137.11023 -134.69815 2.41208 1.72294 -134.68499 338.51437
9165.0000 -137.02635 -134.51211 2.51424 1.73598 -134.49877 351.73930
9170.0000 -136.71508 -134.88856 1.82652 1.71384 -134.81501 330.69714
9175.0000 -137.09645 -134.99653 2.09992 1.71026 -134.86612 329.15388
9180.0000 -137.21224 -135.01146 2.20078 1.71689 -134.77148 337.60727
9185.0000 -137.38311 -135.19721 2.18591 1.72082 -134.71536 337.94134
9190.0000 -136.72659 -134.22409 2.50250 1.72095 -134.71347 337.40044
9195.0000 -137.38758 -135.04570 2.34188 1.73791 -134.47109 356.08852
9200.0000 -137.40795 -135.40881 1.99914 1.69221 -135.12404 311.97976
9205.0000 -137.46818 -135.55657 1.91161 1.67581 -135.35836 293.50633
9210.0000 -137.15096 -134.95619 2.19478 1.69393 -135.09954 313.96471
9215.0000 -137.00453 -135.13166 1.87287 1.71588 -134.78595 337.05948
9220.0000 -137.08229 -134.93569 2.14660 1.70242 -134.97821 317.53711
9225.0000 -137.42121 -134.55458 2.86663 1.73540 -134.50703 349.73429
9230.0000 -136.97967 -135.04616 1.93351 1.71880 -134.74424 335.25605
9235.0000 -136.97188 -135.06245 1.90942 1.70843 -134.89233 323.94892
9240.0000 -137.26964 -134.67071 2.59893 1.69675 -135.05919 314.25648
9245.0000 -136.94257 -134.12953 2.81303 1.75109 -134.28282 364.88025
9250.0000 -136.83174 -134.16855 2.66319 1.76057 -134.14741 371.92595
FREEZING PROCESS: loop number 38 T-loop= 318.00000000000000
main_MD> interactions number 38 at Temperature= 318.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39007 0.71846 0.76689
force_rgl> df(natom) -1.37688 0.56603 0.98529
9255.0000 -136.93200 -134.74877 2.18323 1.72620 -134.63842 339.66380
9260.0000 -136.61290 -134.23469 2.37821 1.74551 -134.36251 357.64988
9265.0000 -136.90026 -134.93506 1.96521 1.73785 -134.47206 355.28552
9270.0000 -137.25099 -134.93187 2.31912 1.72521 -134.65257 340.72127
9275.0000 -137.15625 -134.58664 2.56961 1.70988 -134.87162 327.71528
9280.0000 -137.61398 -135.26643 2.34756 1.69877 -135.03035 313.05557
9285.0000 -137.36564 -135.93280 1.43283 1.67636 -135.35055 295.28170
9290.0000 -137.58584 -135.54850 2.03734 1.65937 -135.59319 277.73015
9295.0000 -136.99138 -134.87915 2.11223 1.68521 -135.22400 302.02915
9300.0000 -137.37985 -134.94369 2.43616 1.70168 -134.98874 319.19955
9305.0000 -136.86716 -134.66653 2.20064 1.70103 -134.99801 317.83749
9310.0000 -137.39789 -135.49407 1.90382 1.69805 -135.04058 318.37357
9315.0000 -137.36194 -135.15421 2.20773 1.67418 -135.38166 288.92088
9320.0000 -137.33650 -135.04764 2.28886 1.69779 -135.04429 317.14394
9325.0000 -137.29246 -135.66849 1.62397 1.68012 -135.29676 295.43309
9330.0000 -137.34518 -134.87692 2.46826 1.66935 -135.45070 288.42403
9335.0000 -137.32860 -134.71145 2.61715 1.70901 -134.88410 322.68948
9340.0000 -137.51360 -135.26224 2.25137 1.70635 -134.92209 320.86353
9345.0000 -137.35335 -135.34428 2.00907 1.68519 -135.22436 302.70143
9350.0000 -137.37967 -135.33146 2.04821 1.68808 -135.18299 305.96227
9355.0000 -137.23575 -135.42775 1.80800 1.67549 -135.36288 292.20140
9360.0000 -137.41894 -135.44435 1.97460 1.65177 -135.70178 270.66339
9365.0000 -137.21789 -134.84537 2.37252 1.67797 -135.32751 296.64992
9370.0000 -136.95955 -134.73500 2.22455 1.72251 -134.69121 337.20576
9375.0000 -137.08344 -134.46413 2.61931 1.72185 -134.70065 337.81461
9380.0000 -136.81907 -134.62649 2.19258 1.72617 -134.63894 344.27105
9385.0000 -137.45353 -134.81247 2.64106 1.72992 -134.58530 346.62833
9390.0000 -136.87992 -134.15103 2.72889 1.74201 -134.41265 356.56771
9395.0000 -136.81292 -134.36846 2.44446 1.74119 -134.42437 354.03005
9400.0000 -136.83308 -134.08874 2.74434 1.75819 -134.18143 370.92273
9405.0000 -137.02532 -134.45363 2.57169 1.73991 -134.44257 354.20919
9410.0000 -137.23544 -134.81761 2.41784 1.71608 -134.78310 333.73038
9415.0000 -136.98907 -134.24638 2.74269 1.74560 -134.36124 361.57628
9420.0000 -137.12745 -135.07646 2.05099 1.71696 -134.77042 339.38090
9425.0000 -136.92787 -134.76572 2.16214 1.70795 -134.89919 327.15099
9430.0000 -136.95488 -134.99593 1.95896 1.69932 -135.02244 317.13405
9435.0000 -137.43492 -135.63418 1.80074 1.67598 -135.35596 293.51513
9440.0000 -137.32692 -135.29920 2.02772 1.66993 -135.44231 285.51399
9445.0000 -137.44256 -135.09625 2.34630 1.68902 -135.16959 308.05348
9450.0000 -137.53444 -135.25241 2.28204 1.69629 -135.06582 316.12342
9455.0000 -137.92801 -136.11049 1.81752 1.66604 -135.49787 283.11831
9460.0000 -137.28780 -135.21484 2.07296 1.65163 -135.70383 269.34248
9465.0000 -137.85457 -135.74746 2.10711 1.67795 -135.32781 295.68983
9470.0000 -136.76382 -134.64489 2.11893 1.69059 -135.14716 307.14529
9475.0000 -136.92560 -134.32322 2.60238 1.72993 -134.58512 348.03162
9480.0000 -137.39922 -135.28132 2.11790 1.71247 -134.83463 330.29650
9485.0000 -136.75683 -134.50317 2.25366 1.70685 -134.91491 323.85266
9490.0000 -136.77234 -134.30287 2.46948 1.74218 -134.41021 362.14811
9495.0000 -137.08302 -134.69191 2.39111 1.71524 -134.79502 331.53130
9500.0000 -137.46794 -134.92267 2.54528 1.71140 -134.84983 331.50474
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 11 [min], 25.9978038 [s].
main_MD> Deallocating global variables
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