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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_15/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_15.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 = 15 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 2050
main_MD> Size of nv and nvoiz: 15 1500
main_MD> Size of nv and nvoiz: 15 1500
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 = 15
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -0.15711670872123543 -6.8155268150719900E-002 -0.22993350917927036 initial drift of cluster / NP1 for coalescence
init> 0.38034644521464733 0.40417608809027800 0.25939344454281876 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.9302032684347859E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95951 -4.41407 -1.16233
force_rgl> df(natom) 0.51185 1.19655 2.83120
preparo> THERMALIZATION PROCESS AT 1344.3024747932502
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -27.759316808952473 4.6649812145642260 -32.424298023516698 6.3742301646611983E-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 41
FREEZING PROCESS: loop number 1 T-loop= 1315.0000000000000
main_MD> interactions number 1 at Temperature= 1315.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.62556 -7.99462 -2.63113
force_rgl> df(natom) 3.13203 0.53190 2.26355
5.0000 -32.12767 -30.72512 1.40255 2.35417 -29.93148 1226.33684
10.0000 -32.30581 -30.30740 1.99840 2.22057 -30.74402 1059.13449
15.0000 -32.44020 -29.93365 2.50655 2.39432 -29.68726 1172.11946
20.0000 -31.65470 -29.30481 2.34989 2.47394 -29.20302 1307.15124
25.0000 -31.17681 -28.54559 2.63122 2.44767 -29.36277 1237.42941
30.0000 -31.72512 -29.16644 2.55868 2.44248 -29.39437 1286.00716
35.0000 -31.89068 -29.45657 2.43411 2.47432 -29.20071 1308.84426
40.0000 -31.53576 -29.44451 2.09125 2.47581 -29.19160 1347.25458
45.0000 -32.72303 -29.84867 2.87436 2.39793 -29.66531 1261.88565
50.0000 -31.53729 -28.86001 2.67728 2.39092 -29.70792 1225.17357
55.0000 -32.12706 -29.75873 2.36833 2.43188 -29.45881 1221.68168
60.0000 -31.20207 -29.34207 1.86000 2.37064 -29.83130 1206.43556
65.0000 -31.41333 -28.92649 2.48684 2.50068 -29.04038 1252.20237
70.0000 -31.42373 -27.59115 3.83259 2.77750 -27.35670 1628.23599
75.0000 -31.56184 -29.54560 2.01625 2.61729 -28.33114 1490.80158
80.0000 -32.01217 -30.09998 1.91219 2.34178 -30.00685 1164.51239
85.0000 -31.92631 -30.36561 1.56070 2.26242 -30.48951 990.14422
90.0000 -31.76876 -28.73808 3.03068 2.37437 -29.80858 1220.91713
95.0000 -31.73290 -30.11047 1.62243 2.44694 -29.36720 1401.50136
100.0000 -31.22082 -28.93341 2.28741 2.44060 -29.40579 1299.10255
105.0000 -32.44629 -30.56522 1.88107 2.42944 -29.47365 1226.53252
110.0000 -31.73972 -28.83584 2.90388 2.40704 -29.60990 1390.86280
115.0000 -32.26636 -30.39889 1.86747 2.44850 -29.35775 1361.71553
120.0000 -32.23706 -29.32293 2.91413 2.33939 -30.02137 1144.73788
125.0000 -30.67474 -27.80025 2.87448 2.60579 -28.40106 1571.07712
130.0000 -32.71420 -29.69909 3.01511 2.59600 -28.46059 1345.81698
135.0000 -31.88018 -29.73303 2.14715 2.35610 -29.91974 1255.70305
140.0000 -31.99374 -29.51290 2.48084 2.28981 -30.32293 1202.22972
145.0000 -32.04490 -29.87629 2.16861 2.42049 -29.52808 1308.77967
150.0000 -31.58397 -29.19721 2.38676 2.43114 -29.46331 1349.66257
155.0000 -30.68335 -28.89454 1.78881 2.38968 -29.71547 1255.19004
160.0000 -31.57832 -29.26849 2.30983 2.44505 -29.37873 1290.22776
165.0000 -31.62110 -29.15008 2.47102 2.44976 -29.35004 1298.40941
170.0000 -31.24492 -28.57810 2.66682 2.51669 -28.94300 1334.41425
175.0000 -31.10662 -29.19326 1.91336 2.53136 -28.85377 1383.19689
180.0000 -32.48420 -30.69413 1.79007 2.38312 -29.75536 1192.53815
185.0000 -33.67610 -30.50498 3.17112 2.19302 -30.91162 991.13760
190.0000 -31.73326 -28.90556 2.82771 2.33051 -30.07539 1187.38183
195.0000 -31.46190 -29.24239 2.21950 2.40964 -29.59409 1161.49701
200.0000 -31.24507 -28.81037 2.43471 2.46680 -29.24644 1361.89413
205.0000 -31.76870 -28.17139 3.59731 2.50924 -28.98828 1508.14615
210.0000 -31.80652 -28.28067 3.52584 2.62854 -28.26266 1517.58256
215.0000 -31.77184 -28.37472 3.39712 2.52973 -28.86368 1350.57554
220.0000 -31.70515 -28.98314 2.72201 2.58118 -28.55077 1409.85032
225.0000 -31.17145 -28.54614 2.62531 2.45495 -29.31851 1252.96283
230.0000 -32.35259 -29.01733 3.33527 2.57573 -28.58387 1365.97753
235.0000 -31.87514 -28.71408 3.16106 2.55534 -28.70790 1418.29932
240.0000 -30.48541 -28.04955 2.43586 2.52640 -28.88393 1325.42345
245.0000 -31.71649 -28.75821 2.95828 2.67780 -27.96310 1538.91376
250.0000 -32.89432 -30.64868 2.24564 2.32578 -30.10415 1213.69290
FREEZING PROCESS: loop number 2 T-loop= 1290.0000000000000
main_MD> interactions number 2 at Temperature= 1290.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92876 2.03531 2.16695
force_rgl> df(natom) -1.89035 2.64452 -0.61267
255.0000 -32.53644 -30.42079 2.11565 2.17070 -31.04738 1056.50461
260.0000 -31.77866 -29.07305 2.70561 2.34048 -30.01471 1171.80191
265.0000 -31.44330 -28.97966 2.46364 2.49963 -29.04675 1331.11233
270.0000 -31.68590 -29.58965 2.09624 2.40877 -29.59936 1131.40064
275.0000 -32.16257 -29.17987 2.98270 2.51492 -28.95375 1439.85886
280.0000 -32.75174 -30.46125 2.29048 2.36287 -29.87855 1214.79689
285.0000 -32.25665 -30.89399 1.36266 2.18072 -30.98643 1011.08449
290.0000 -31.88026 -29.69397 2.18629 2.30994 -30.20049 1010.60905
295.0000 -33.12733 -29.55664 3.57069 2.40700 -29.61012 1201.86813
300.0000 -31.86014 -29.34786 2.51228 2.42984 -29.47123 1269.69719
305.0000 -31.82838 -28.78115 3.04723 2.48470 -29.13758 1312.24330
310.0000 -32.43333 -29.91404 2.51929 2.44782 -29.36184 1376.26528
315.0000 -32.48678 -30.76118 1.72559 2.30626 -30.22287 1154.16720
320.0000 -32.97904 -31.05342 1.92562 2.24283 -30.60868 1038.92409
325.0000 -33.05838 -31.27858 1.77980 2.16015 -31.11152 1020.13724
330.0000 -32.38107 -30.32726 2.05381 2.24691 -30.58384 1034.52520
335.0000 -29.75702 -27.05754 2.69948 2.63031 -28.25190 1553.97870
340.0000 -31.12024 -27.64511 3.47512 2.68316 -27.93047 1573.84932
345.0000 -31.15816 -28.79430 2.36385 2.63179 -28.24295 1456.16045
350.0000 -31.79240 -28.84679 2.94561 2.50265 -29.02840 1338.98846
355.0000 -31.24074 -28.39586 2.84487 2.55791 -28.69228 1448.78999
360.0000 -31.31652 -28.10852 3.20800 2.67327 -27.99065 1615.95744
365.0000 -31.65339 -28.63371 3.01967 2.69047 -27.88601 1636.97375
370.0000 -30.79514 -28.44644 2.34870 2.66409 -28.04644 1600.79550
375.0000 -31.38550 -29.32044 2.06506 2.53128 -28.85422 1400.89823
380.0000 -31.20738 -29.34493 1.86245 2.41978 -29.53241 1223.50408
385.0000 -32.13883 -30.10998 2.02884 2.35545 -29.92367 1198.69062
390.0000 -32.69094 -29.99224 2.69869 2.29063 -30.31791 1079.52721
395.0000 -31.71141 -29.53783 2.17359 2.34735 -29.97296 1140.61030
400.0000 -30.63386 -29.22949 1.40437 2.41814 -29.54236 1199.76194
405.0000 -31.15335 -28.74153 2.41181 2.51598 -28.94729 1251.13536
410.0000 -31.54420 -29.49163 2.05258 2.47054 -29.22368 1294.79465
415.0000 -31.91612 -29.25814 2.65798 2.42970 -29.47210 1204.89479
420.0000 -31.72491 -29.84203 1.88288 2.41712 -29.54859 1209.13188
425.0000 -30.98560 -28.94250 2.04310 2.46519 -29.25620 1310.02102
430.0000 -32.51851 -30.00766 2.51084 2.37114 -29.82827 1232.59768
435.0000 -31.98772 -29.50387 2.48385 2.34265 -30.00154 1163.99624
440.0000 -31.54382 -29.26990 2.27392 2.41624 -29.55393 1258.88112
445.0000 -32.40435 -29.13290 3.27145 2.49728 -29.06101 1211.31202
450.0000 -32.46060 -29.46361 2.99699 2.46028 -29.28611 1279.58726
455.0000 -32.32979 -29.12500 3.20479 2.33241 -30.06383 1193.09125
460.0000 -31.81479 -30.27370 1.54108 2.26317 -30.48492 1094.67318
465.0000 -32.48690 -29.07662 3.41028 2.37171 -29.82476 1284.67388
470.0000 -31.71661 -29.11601 2.60060 2.52180 -28.91192 1371.39445
475.0000 -31.27848 -28.84923 2.42925 2.54122 -28.79382 1373.79547
480.0000 -31.63028 -29.09675 2.53352 2.55554 -28.70670 1475.59872
485.0000 -31.49347 -28.81560 2.67787 2.45842 -29.29737 1383.25404
490.0000 -32.04117 -30.01398 2.02719 2.33844 -30.02711 1156.40427
495.0000 -32.00933 -30.19195 1.81738 2.30623 -30.22304 1069.67490
500.0000 -32.94069 -30.60076 2.33993 2.29035 -30.31961 1065.86818
FREEZING PROCESS: loop number 3 T-loop= 1265.0000000000000
main_MD> interactions number 3 at Temperature= 1265.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65127 -2.48390 -0.10660
force_rgl> df(natom) 0.38164 -2.17649 -2.00275
505.0000 -32.51125 -30.43017 2.08108 2.38323 -29.75469 1363.48389
510.0000 -33.12417 -31.63785 1.48632 2.23134 -30.67854 1087.86690
515.0000 -31.74110 -29.10273 2.63836 2.22995 -30.68698 1070.86381
520.0000 -32.34048 -29.52895 2.81153 2.51274 -28.96701 1346.52631
525.0000 -32.05395 -29.59289 2.46106 2.41523 -29.56009 1308.51243
530.0000 -31.02394 -28.79036 2.23358 2.54554 -28.76752 1400.52371
535.0000 -32.31291 -29.66212 2.65079 2.44107 -29.40290 1333.40211
540.0000 -31.87025 -29.71488 2.15537 2.39849 -29.66188 1311.89370
545.0000 -32.17174 -29.95535 2.21639 2.33266 -30.06232 1178.46376
550.0000 -31.85695 -29.35150 2.50545 2.42901 -29.47626 1252.99821
555.0000 -31.56752 -29.68326 1.88426 2.44190 -29.39787 1330.17825
560.0000 -32.21534 -30.11424 2.10110 2.38478 -29.74531 1263.66559
565.0000 -32.12286 -29.15674 2.96613 2.33805 -30.02953 1239.59365
570.0000 -31.71166 -30.13878 1.57288 2.35957 -29.89861 1119.65925
575.0000 -32.41132 -29.91705 2.49427 2.36813 -29.84658 1129.88915
580.0000 -32.40466 -30.20736 2.19730 2.30512 -30.22977 1150.92805
585.0000 -32.68473 -29.87227 2.81245 2.26681 -30.46280 1050.75549
590.0000 -31.00217 -29.02536 1.97682 2.40176 -29.64204 1283.94475
595.0000 -32.23177 -29.48181 2.74996 2.44472 -29.38069 1272.16261
600.0000 -31.86758 -29.27730 2.59027 2.50829 -28.99406 1365.12475
605.0000 -32.37530 -30.28466 2.09064 2.36370 -29.87348 1115.78149
610.0000 -31.65844 -29.63330 2.02514 2.44388 -29.38580 1292.92913
615.0000 -31.96541 -29.57708 2.38832 2.37454 -29.80756 1199.25613
620.0000 -32.37413 -30.31897 2.05516 2.35610 -29.91969 1148.35607
625.0000 -31.98128 -29.08650 2.89478 2.28942 -30.32530 1108.73945
630.0000 -31.99350 -28.86827 3.12523 2.55882 -28.68671 1425.23103
635.0000 -32.03081 -30.07960 1.95121 2.42415 -29.50584 1331.15652
640.0000 -32.30661 -30.41055 1.89606 2.37315 -29.81605 1180.38057
645.0000 -33.07518 -30.45674 2.61844 2.24869 -30.57300 890.47052
650.0000 -31.07307 -28.74677 2.32630 2.36319 -29.87662 1305.11158
655.0000 -31.21855 -28.30280 2.91575 2.48559 -29.13216 1272.53372
660.0000 -31.90722 -28.94917 2.95804 2.59444 -28.47011 1400.32001
665.0000 -31.08495 -27.69010 3.39485 2.58509 -28.52698 1429.31932
670.0000 -32.26554 -29.86058 2.40496 2.56987 -28.61956 1384.73233
675.0000 -31.72932 -29.14892 2.58040 2.42131 -29.52309 1256.66844
680.0000 -31.50656 -27.64747 3.85909 2.63527 -28.22174 1513.09976
685.0000 -32.42521 -30.53436 1.89086 2.45389 -29.32494 1315.04744
690.0000 -31.90302 -29.03829 2.86474 2.45351 -29.32728 1261.60154
695.0000 -32.29779 -29.70344 2.59435 2.41860 -29.53960 1363.13635
700.0000 -32.90073 -29.71243 3.18830 2.29851 -30.27001 1151.32975
705.0000 -32.73314 -30.51755 2.21559 2.31143 -30.19139 1192.02113
710.0000 -31.81207 -30.18594 1.62613 2.31447 -30.17291 1163.41189
715.0000 -31.68064 -29.18187 2.49877 2.44470 -29.38083 1199.25789
720.0000 -32.66351 -29.90940 2.75411 2.44046 -29.40661 1197.76365
725.0000 -31.62642 -29.19254 2.43388 2.46786 -29.23999 1267.46555
730.0000 -30.55235 -28.76265 1.78970 2.50241 -29.02983 1437.01229
735.0000 -30.87509 -28.11464 2.76045 2.63557 -28.21992 1544.49239
740.0000 -31.14573 -28.38525 2.76049 2.65439 -28.10546 1500.75841
745.0000 -31.34058 -28.25807 3.08251 2.68397 -27.92556 1569.75346
750.0000 -30.07430 -27.94967 2.12463 2.69507 -27.85805 1632.71434
FREEZING PROCESS: loop number 4 T-loop= 1240.0000000000000
main_MD> interactions number 4 at Temperature= 1240.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.56490 1.15989 0.49025
force_rgl> df(natom) -1.40063 -4.12115 -1.05032
755.0000 -31.48254 -29.18767 2.29487 2.49018 -29.10424 1350.56094
760.0000 -31.30999 -29.57344 1.73656 2.47839 -29.17591 1341.29093
765.0000 -32.55949 -30.19417 2.36531 2.37150 -29.82608 1241.77497
770.0000 -32.49129 -30.35689 2.13441 2.21746 -30.76296 965.94311
775.0000 -33.79355 -31.46621 2.32734 2.22772 -30.70055 1092.55963
780.0000 -32.88358 -31.39177 1.49181 2.20357 -30.84744 1035.14791
785.0000 -32.89483 -30.57617 2.31866 2.21603 -30.77167 985.48080
790.0000 -32.20953 -30.21099 1.99854 2.38186 -29.76303 1258.82592
795.0000 -32.33328 -29.56524 2.76804 2.38425 -29.74849 1255.72131
800.0000 -31.57821 -29.23964 2.33856 2.41358 -29.57009 1318.03755
805.0000 -31.26218 -27.81460 3.44758 2.57634 -28.58020 1465.46685
810.0000 -30.25072 -27.18960 3.06113 2.70747 -27.78262 1565.96891
815.0000 -30.19453 -27.99518 2.19935 2.67670 -27.96980 1442.86130
820.0000 -32.25370 -29.98753 2.26617 2.51500 -28.95326 1424.50105
825.0000 -32.10368 -30.04535 2.05833 2.33113 -30.07162 1111.24819
830.0000 -31.77884 -29.05514 2.72370 2.35956 -29.89866 1237.16793
835.0000 -31.31492 -29.09143 2.22349 2.57361 -28.59678 1406.03792
840.0000 -31.37471 -29.41704 1.95767 2.53698 -28.81960 1461.09562
845.0000 -32.13356 -29.73744 2.39612 2.35577 -29.92172 1165.53055
850.0000 -32.20323 -29.44936 2.75387 2.43682 -29.42874 1281.88041
855.0000 -33.12072 -29.86838 3.25234 2.47073 -29.22249 1401.26803
860.0000 -31.65559 -29.83713 1.81846 2.33256 -30.06290 1223.21006
865.0000 -31.93645 -30.13179 1.80466 2.41739 -29.54694 1263.45637
870.0000 -31.64396 -28.17830 3.46566 2.46134 -29.27965 1374.34587
875.0000 -31.28540 -29.02795 2.25744 2.60924 -28.38007 1424.42351
880.0000 -31.70661 -28.97739 2.72922 2.57049 -28.61577 1396.99023
885.0000 -32.61285 -29.78425 2.82860 2.47817 -29.17729 1364.40989
890.0000 -31.48399 -29.35607 2.12792 2.36140 -29.88748 1148.31566
895.0000 -31.79806 -29.00238 2.79568 2.50540 -29.01166 1320.38286
900.0000 -31.89836 -29.74901 2.14936 2.55352 -28.71895 1460.65438
905.0000 -32.64445 -29.83332 2.81113 2.36933 -29.83925 1192.43876
910.0000 -32.60078 -29.25416 3.34661 2.41979 -29.53235 1334.01133
915.0000 -31.23726 -29.39408 1.84318 2.41891 -29.53773 1305.84333
920.0000 -31.64625 -30.01862 1.62763 2.38022 -29.77302 1210.35619
925.0000 -31.90453 -30.33868 1.56585 2.35891 -29.90266 1196.81858
930.0000 -32.91528 -30.58871 2.32656 2.35534 -29.92435 1187.08369
935.0000 -33.52324 -31.57969 1.94356 2.07988 -31.59978 859.94277
940.0000 -32.27659 -30.29731 1.97928 2.24529 -30.59371 1094.01035
945.0000 -32.24078 -30.14346 2.09732 2.39484 -29.68407 1217.75190
950.0000 -31.84202 -29.81809 2.02393 2.43025 -29.46874 1228.24263
955.0000 -33.63972 -31.07410 2.56562 2.30709 -30.21783 1126.66019
960.0000 -33.56343 -31.51471 2.04872 2.11831 -31.36599 999.39941
965.0000 -32.65112 -30.67117 1.97996 2.12730 -31.31135 949.34598
970.0000 -32.50060 -30.03031 2.47029 2.25742 -30.51993 1106.88856
975.0000 -31.39094 -29.17437 2.21657 2.38012 -29.77365 1216.21171
980.0000 -32.01365 -29.49013 2.52352 2.41923 -29.53577 1335.59497
985.0000 -31.53142 -28.21859 3.31283 2.49995 -29.04478 1353.93531
990.0000 -31.31484 -28.52745 2.78740 2.59274 -28.48045 1434.84300
995.0000 -31.03010 -28.33551 2.69460 2.54433 -28.77486 1369.34667
1000.0000 -32.10885 -29.42388 2.68497 2.61925 -28.31918 1528.12809
FREEZING PROCESS: loop number 5 T-loop= 1215.0000000000000
main_MD> interactions number 5 at Temperature= 1215.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.99788 -0.88776 0.35499
force_rgl> df(natom) -1.81443 -0.59930 -3.29069
1005.0000 -30.99973 -27.53448 3.46525 2.49868 -29.05255 1297.00916
1010.0000 -31.38758 -28.67078 2.71681 2.56750 -28.63396 1381.44381
1015.0000 -31.99959 -29.31576 2.68384 2.51665 -28.94322 1340.06932
1020.0000 -31.99172 -29.73836 2.25336 2.46345 -29.26678 1317.70309
1025.0000 -31.78640 -28.69334 3.09306 2.41368 -29.56953 1301.30283
1030.0000 -32.62879 -29.99737 2.63143 2.47410 -29.20203 1257.09210
1035.0000 -33.58686 -31.52234 2.06452 2.25567 -30.53059 1099.52954
1040.0000 -32.96588 -30.34771 2.61817 2.13002 -31.29480 1047.61944
1045.0000 -32.67347 -30.81498 1.85849 2.35186 -29.94549 1284.70838
1050.0000 -31.92889 -29.70126 2.22764 2.29832 -30.27116 1115.91302
1055.0000 -31.91469 -29.29461 2.62007 2.48379 -29.14308 1358.17409
1060.0000 -32.34508 -28.51562 3.82946 2.56791 -28.63146 1339.95953
1065.0000 -32.31702 -28.80999 3.50703 2.61151 -28.36624 1448.82350
1070.0000 -32.96582 -29.67676 3.28906 2.38324 -29.75466 1172.65131
1075.0000 -31.86889 -29.93729 1.93159 2.38711 -29.73112 1200.33406
1080.0000 -32.37843 -29.05220 3.32623 2.26588 -30.46846 1118.09987
1085.0000 -31.36047 -29.14114 2.21933 2.45338 -29.32804 1334.81425
1090.0000 -32.30523 -29.31163 2.99360 2.45347 -29.32753 1293.07115
1095.0000 -30.46077 -28.86827 1.59250 2.49209 -29.09261 1310.28155
1100.0000 -32.63833 -30.61317 2.02516 2.38634 -29.73577 1210.51188
1105.0000 -31.96958 -29.76403 2.20556 2.32085 -30.13413 1075.81529
1110.0000 -32.34152 -30.60452 1.73700 2.41394 -29.56791 1211.82041
1115.0000 -31.07247 -28.85699 2.21548 2.37866 -29.78248 1085.51429
1120.0000 -31.00151 -28.52674 2.47477 2.54119 -28.79400 1398.05254
1125.0000 -31.83420 -29.23172 2.60248 2.53389 -28.83838 1362.92871
1130.0000 -32.25000 -30.11052 2.13948 2.39994 -29.65307 1198.21344
1135.0000 -32.54425 -30.24410 2.30015 2.29316 -30.30256 1179.20959
1140.0000 -32.71659 -30.61915 2.09745 2.28025 -30.38105 1102.47649
1145.0000 -32.75320 -30.93739 1.81581 2.25121 -30.55767 1047.89762
1150.0000 -32.61107 -29.61045 3.00062 2.34617 -29.98009 1145.60818
1155.0000 -32.19305 -30.38989 1.80317 2.31181 -30.18910 1189.87598
1160.0000 -31.85575 -30.38733 1.46842 2.22795 -30.69916 1062.21998
1165.0000 -32.75552 -30.63659 2.11894 2.25667 -30.52445 1094.39887
1170.0000 -33.68603 -31.24766 2.43837 2.12892 -31.30145 999.21306
1175.0000 -32.13962 -29.76356 2.37605 2.24555 -30.59210 1095.61622
1180.0000 -31.74543 -29.50043 2.24500 2.36230 -29.88202 1297.31999
1185.0000 -32.27893 -29.48087 2.79806 2.35547 -29.92356 1157.78418
1190.0000 -31.22899 -29.60671 1.62228 2.40777 -29.60548 1167.60262
1195.0000 -32.81259 -31.40076 1.41183 2.32919 -30.08337 1287.51957
1200.0000 -32.31848 -30.34268 1.97579 2.25360 -30.54312 1147.80022
1205.0000 -32.52689 -29.68219 2.84469 2.48653 -29.12642 1343.83648
1210.0000 -32.17024 -29.79812 2.37211 2.44201 -29.39723 1272.59028
1215.0000 -32.45908 -30.28376 2.17532 2.34716 -29.97410 1076.90326
1220.0000 -33.61314 -30.93772 2.67542 2.32678 -30.09803 1141.30430
1225.0000 -32.72870 -30.72595 2.00275 2.18063 -30.98696 998.08301
1230.0000 -31.65881 -29.07384 2.58496 2.29773 -30.27473 1132.86632
1235.0000 -31.89449 -29.26155 2.63294 2.45080 -29.34375 1304.91552
1240.0000 -32.67106 -29.90690 2.76416 2.42137 -29.52271 1221.73270
1245.0000 -30.97632 -29.13917 1.83716 2.44896 -29.35493 1247.26508
1250.0000 -30.85652 -27.47178 3.38474 2.60886 -28.38241 1440.55176
FREEZING PROCESS: loop number 6 T-loop= 1190.0000000000000
main_MD> interactions number 6 at Temperature= 1190.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33258 -1.86076 -0.89068
force_rgl> df(natom) 4.09912 1.54429 -1.67161
1255.0000 -30.45866 -27.83798 2.62069 2.69637 -27.85014 1609.72790
1260.0000 -33.11383 -30.31204 2.80178 2.57728 -28.57445 1588.30676
1265.0000 -31.45570 -29.61350 1.84219 2.38404 -29.74978 1177.07206
1270.0000 -31.97573 -29.75856 2.21717 2.42892 -29.47683 1293.12992
1275.0000 -31.57637 -29.41017 2.16620 2.40794 -29.60445 1259.99393
1280.0000 -32.57119 -30.48170 2.08949 2.36326 -29.87617 1191.67223
1285.0000 -32.89610 -29.99242 2.90369 2.28088 -30.37723 1153.30265
1290.0000 -32.73202 -31.02795 1.70407 2.28659 -30.34252 1069.23162
1295.0000 -31.39239 -27.86467 3.52772 2.43872 -29.41723 1256.72110
1300.0000 -31.36436 -28.77421 2.59014 2.66673 -28.03038 1609.74079
1305.0000 -32.10465 -29.55639 2.54825 2.40272 -29.63619 1243.83219
1310.0000 -32.58648 -29.94665 2.63983 2.40416 -29.62742 1195.59238
1315.0000 -32.16920 -29.72643 2.44277 2.29971 -30.26272 1231.58814
1320.0000 -32.37373 -29.86549 2.50824 2.32979 -30.07973 1292.69914
1325.0000 -31.29717 -29.39006 1.90711 2.36319 -29.87662 1123.51276
1330.0000 -31.59610 -29.70050 1.89560 2.40230 -29.63870 1184.11411
1335.0000 -30.32113 -27.04569 3.27544 2.59942 -28.43981 1434.01836
1340.0000 -30.32364 -27.37904 2.94461 2.74421 -27.55913 1573.31255
1345.0000 -31.88129 -29.49609 2.38520 2.58391 -28.53416 1324.18013
1350.0000 -32.05026 -29.41605 2.63421 2.46024 -29.28634 1380.95178
1355.0000 -33.30728 -29.70270 3.60458 2.35105 -29.95045 1202.69683
1360.0000 -31.79441 -30.17486 1.61956 2.29102 -30.31554 1230.33453
1365.0000 -31.84587 -29.46102 2.38486 2.37504 -29.80450 1288.97792
1370.0000 -32.86819 -29.96407 2.90412 2.41732 -29.54735 1281.77837
1375.0000 -32.82640 -30.64982 2.17658 2.28523 -30.35076 1234.67977
1380.0000 -32.83197 -31.04625 1.78572 2.16860 -31.06013 918.68043
1385.0000 -32.63438 -30.58568 2.04870 2.23872 -30.63363 1010.71774
1390.0000 -33.11777 -31.28051 1.83726 2.22960 -30.68912 1111.11993
1395.0000 -32.55917 -30.12482 2.43435 2.16131 -31.10448 1033.51002
1400.0000 -31.44872 -28.76615 2.68258 2.39537 -29.68087 1236.81562
1405.0000 -30.95866 -28.45671 2.50195 2.56095 -28.67381 1385.35813
1410.0000 -30.88694 -28.62562 2.26132 2.56042 -28.67698 1317.20402
1415.0000 -31.69471 -29.33428 2.36044 2.45713 -29.30525 1186.54195
1420.0000 -32.06205 -30.02906 2.03299 2.37287 -29.81772 1246.69533
1425.0000 -32.57309 -30.73379 1.83930 2.34275 -30.00092 1157.60708
1430.0000 -32.57751 -30.27758 2.29993 2.27831 -30.39285 1051.77469
1435.0000 -31.86983 -30.03947 1.83036 2.30002 -30.26079 1101.87739
1440.0000 -32.89303 -29.50410 3.38894 2.36401 -29.87159 1244.82026
1445.0000 -32.11033 -29.89188 2.21845 2.40643 -29.61363 1368.85208
1450.0000 -30.89017 -28.36403 2.52614 2.49593 -29.06923 1390.70530
1455.0000 -31.05547 -28.87415 2.18132 2.55261 -28.72449 1332.91386
1460.0000 -32.03007 -29.73145 2.29862 2.43662 -29.43000 1207.72702
1465.0000 -32.57768 -29.99882 2.57886 2.39574 -29.67863 1173.90632
1470.0000 -32.39030 -30.34917 2.04113 2.33166 -30.06834 1221.20646
1475.0000 -32.16866 -30.19264 1.97602 2.34929 -29.96117 1266.79516
1480.0000 -32.72846 -30.10277 2.62569 2.36154 -29.88664 1187.63065
1485.0000 -32.97871 -30.94045 2.03826 2.24377 -30.60293 1143.49563
1490.0000 -32.30037 -29.90380 2.39656 2.28195 -30.37071 1113.06080
1495.0000 -32.02668 -29.51118 2.51550 2.30086 -30.25572 1072.78273
1500.0000 -32.15276 -30.38959 1.76317 2.34972 -29.95852 1087.78560
FREEZING PROCESS: loop number 7 T-loop= 1165.0000000000000
main_MD> interactions number 7 at Temperature= 1165.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.90091 -0.95561 -1.72560
force_rgl> df(natom) -1.74039 2.76985 -2.54936
1505.0000 -31.70932 -30.10324 1.60608 2.32342 -30.11846 1100.42014
1510.0000 -32.17267 -29.66356 2.50911 2.43694 -29.42806 1329.37063
1515.0000 -31.72464 -29.48979 2.23485 2.39541 -29.68061 1176.32489
1520.0000 -32.50233 -29.87309 2.62924 2.42445 -29.50399 1425.34660
1525.0000 -31.27594 -29.48949 1.78645 2.30453 -30.23335 1059.38239
1530.0000 -32.14863 -30.51392 1.63471 2.35966 -29.89806 1132.84838
1535.0000 -33.13549 -31.29897 1.83652 2.23089 -30.68130 1015.63764
1540.0000 -32.99090 -30.96625 2.02465 2.12799 -31.30714 941.06057
1545.0000 -31.42906 -29.15119 2.27787 2.39173 -29.70299 1207.36093
1550.0000 -32.60540 -29.25778 3.34761 2.48302 -29.14778 1439.86682
1555.0000 -31.26481 -28.89402 2.37078 2.49592 -29.06931 1367.56250
1560.0000 -32.48933 -30.22739 2.26194 2.39013 -29.71274 1116.59890
1565.0000 -32.16458 -30.39000 1.77459 2.26759 -30.45806 1026.22805
1570.0000 -32.04754 -29.08368 2.96386 2.40693 -29.61055 1246.73017
1575.0000 -32.13925 -29.78613 2.35312 2.46991 -29.22750 1308.54572
1580.0000 -32.81052 -29.82780 2.98272 2.37406 -29.81051 1229.74618
1585.0000 -31.97803 -29.16485 2.81318 2.36788 -29.84810 1154.83273
1590.0000 -31.68585 -29.13788 2.54798 2.46462 -29.25971 1341.68278
1595.0000 -32.40064 -30.53645 1.86419 2.33652 -30.03884 1147.35805
1600.0000 -32.56091 -30.97590 1.58501 2.16031 -31.11059 955.53092
1605.0000 -32.24640 -30.05944 2.18697 2.21593 -30.77227 1042.19156
1610.0000 -31.61978 -29.02083 2.59894 2.41107 -29.58536 1194.54842
1615.0000 -31.77272 -29.00902 2.76371 2.46917 -29.23199 1279.81478
1620.0000 -32.96774 -29.39909 3.56865 2.45092 -29.34300 1238.72849
1625.0000 -32.58598 -30.09247 2.49351 2.37452 -29.80771 1123.20219
1630.0000 -32.80648 -30.06414 2.74234 2.35696 -29.91451 1235.80107
1635.0000 -32.32846 -29.80552 2.52294 2.40566 -29.61828 1284.25158
1640.0000 -31.29458 -29.35678 1.93780 2.44634 -29.37089 1243.96706
1645.0000 -32.51817 -30.84546 1.67271 2.38708 -29.73131 1219.77177
1650.0000 -32.11323 -29.98082 2.13241 2.26122 -30.49680 946.97290
1655.0000 -32.06660 -30.01387 2.05273 2.38606 -29.73751 1225.56159
1660.0000 -31.54756 -29.57265 1.97491 2.42556 -29.49724 1224.42324
1665.0000 -31.25618 -29.31968 1.93649 2.46162 -29.27795 1242.79956
1670.0000 -32.37591 -29.88972 2.48619 2.45839 -29.29760 1328.56643
1675.0000 -32.86270 -30.26087 2.60183 2.35304 -29.93833 1184.50939
1680.0000 -32.08624 -29.61836 2.46788 2.34046 -30.01484 1173.64566
1685.0000 -32.32747 -29.91445 2.41302 2.37461 -29.80716 1234.10268
1690.0000 -32.20989 -29.45262 2.75728 2.33829 -30.02804 1248.82792
1695.0000 -31.65425 -29.54904 2.10520 2.38101 -29.76823 1252.01422
1700.0000 -33.13872 -30.46473 2.67399 2.36282 -29.87883 1278.99837
1705.0000 -32.55103 -30.84409 1.70695 2.25567 -30.53055 1055.38636
1710.0000 -32.88393 -30.61274 2.27119 2.26426 -30.47829 1123.68771
1715.0000 -32.50140 -29.96288 2.53851 2.24574 -30.59096 1120.52316
1720.0000 -32.73841 -29.08186 3.65655 2.46746 -29.24241 1323.20974
1725.0000 -32.25021 -29.74083 2.50938 2.54247 -28.78619 1384.03508
1730.0000 -32.82773 -30.85919 1.96854 2.35653 -29.91711 1126.43379
1735.0000 -33.60906 -30.58784 3.02122 2.18923 -30.93469 1012.63534
1740.0000 -33.13238 -31.34849 1.78389 2.18177 -30.98004 1041.72697
1745.0000 -33.35236 -30.35069 3.00168 2.18458 -30.96297 1045.20902
1750.0000 -31.85132 -29.99630 1.85502 2.27822 -30.39338 1094.86575
FREEZING PROCESS: loop number 8 T-loop= 1140.0000000000000
main_MD> interactions number 8 at Temperature= 1140.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24179 -1.94992 -3.23447
force_rgl> df(natom) -0.33833 2.61046 1.90809
1755.0000 -32.01434 -30.39453 1.61981 2.30078 -30.25618 1010.84670
1760.0000 -32.35571 -29.82571 2.52999 2.35698 -29.91437 1142.98286
1765.0000 -32.19855 -29.48374 2.71481 2.47042 -29.22443 1353.78564
1770.0000 -32.11324 -30.89301 1.22023 2.29374 -30.29903 1054.22362
1775.0000 -32.62129 -30.81992 1.80137 2.22536 -30.71494 1006.24822
1780.0000 -32.15298 -30.08463 2.06834 2.25617 -30.52751 1065.28725
1785.0000 -32.71437 -30.76452 1.94984 2.30087 -30.25563 1131.13276
1790.0000 -33.45242 -30.25084 3.20158 2.13873 -31.24184 896.67700
1795.0000 -32.50587 -30.21110 2.29477 2.26556 -30.47041 1130.89048
1800.0000 -31.79364 -29.77212 2.02152 2.36796 -29.84759 1223.64042
1805.0000 -32.64255 -30.82095 1.82160 2.35331 -29.93668 1226.35268
1810.0000 -32.07347 -29.95498 2.11849 2.35488 -29.92712 1141.32713
1815.0000 -31.33465 -28.29817 3.03648 2.44398 -29.38524 1240.51238
1820.0000 -32.05907 -29.53504 2.52403 2.63522 -28.22206 1481.38650
1825.0000 -31.83138 -30.04258 1.78879 2.33909 -30.02321 1193.91408
1830.0000 -32.05288 -29.45337 2.59951 2.42153 -29.52175 1345.36683
1835.0000 -32.02659 -29.87201 2.15457 2.42417 -29.50571 1323.38861
1840.0000 -32.01252 -29.19138 2.82114 2.34364 -29.99550 1145.20044
1845.0000 -32.49211 -30.45775 2.03437 2.41258 -29.57621 1233.79843
1850.0000 -32.64359 -30.04995 2.59364 2.17893 -30.99729 963.73717
1855.0000 -31.61512 -29.70142 1.91370 2.35102 -29.95061 1155.58947
1860.0000 -32.77640 -30.57905 2.19735 2.33509 -30.04754 1152.33305
1865.0000 -31.59644 -29.81425 1.78219 2.31291 -30.18239 1155.82823
1870.0000 -32.21516 -29.84789 2.36727 2.34577 -29.98255 1085.86043
1875.0000 -32.58788 -30.20931 2.37858 2.30009 -30.26037 1155.34773
1880.0000 -32.52026 -29.85837 2.66189 2.41663 -29.55159 1244.32904
1885.0000 -31.71810 -29.48733 2.23077 2.44637 -29.37071 1359.06509
1890.0000 -30.87521 -27.95374 2.92147 2.57228 -28.60490 1364.88822
1895.0000 -31.66141 -29.24187 2.41954 2.54554 -28.76749 1418.66440
1900.0000 -32.58197 -30.81863 1.76333 2.33072 -30.07410 1144.26539
1905.0000 -33.49689 -31.65856 1.83833 2.10235 -31.46308 955.79102
1910.0000 -32.87634 -30.77375 2.10259 2.18328 -30.97082 1083.38124
1915.0000 -32.04669 -29.99687 2.04982 2.31178 -30.18928 1176.31729
1920.0000 -31.66569 -29.77019 1.89550 2.26838 -30.45328 1159.27234
1925.0000 -32.50949 -30.58387 1.92562 2.33780 -30.03105 1129.56549
1930.0000 -32.52469 -30.23041 2.29428 2.22007 -30.74707 983.72212
1935.0000 -32.52256 -30.74500 1.77756 2.22990 -30.68732 1051.71000
1940.0000 -32.58350 -30.22650 2.35700 2.26157 -30.49465 999.10418
1945.0000 -31.67482 -29.30541 2.36941 2.39418 -29.68811 1202.49206
1950.0000 -32.17690 -30.19314 1.98376 2.39478 -29.68447 1183.64283
1955.0000 -32.18913 -30.42488 1.76425 2.29190 -30.31021 1136.37951
1960.0000 -32.98928 -30.48063 2.50865 2.29211 -30.30893 1109.98139
1965.0000 -32.55405 -30.87467 1.67937 2.22963 -30.68897 1055.96368
1970.0000 -31.11102 -29.35843 1.75259 2.34783 -29.97003 1185.06412
1975.0000 -31.37670 -29.80207 1.57463 2.45815 -29.29902 1287.47528
1980.0000 -31.88585 -29.59677 2.28908 2.37073 -29.83075 1188.07464
1985.0000 -32.58403 -30.49717 2.08686 2.37180 -29.82421 1281.30699
1990.0000 -31.23439 -29.40684 1.82754 2.29624 -30.28382 1121.82695
1995.0000 -31.95637 -29.08097 2.87540 2.45222 -29.33513 1315.29894
2000.0000 -31.60637 -28.55080 3.05557 2.50198 -29.03247 1329.05324
FREEZING PROCESS: loop number 9 T-loop= 1115.0000000000000
main_MD> interactions number 9 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04697 0.43227 1.34912
force_rgl> df(natom) 0.40679 1.13056 0.73730
2005.0000 -32.11044 -29.56743 2.54301 2.45012 -29.34790 1232.97115
2010.0000 -32.71596 -30.42026 2.29570 2.31630 -30.16179 1151.86618
2015.0000 -32.31500 -29.95138 2.36362 2.35313 -29.93777 1150.05745
2020.0000 -31.79700 -29.96336 1.83364 2.39616 -29.67607 1206.46017
2025.0000 -32.42299 -30.41214 2.01085 2.31007 -30.19971 1154.20556
2030.0000 -32.20741 -30.01087 2.19654 2.32526 -30.10732 1167.69875
2035.0000 -31.36985 -28.90165 2.46821 2.39611 -29.67639 1305.41776
2040.0000 -31.86090 -29.36184 2.49907 2.47034 -29.22491 1292.92566
2045.0000 -32.52305 -30.02789 2.49517 2.34782 -29.97011 1144.47630
2050.0000 -32.08730 -29.56094 2.52636 2.36133 -29.88793 1197.25699
2055.0000 -31.83789 -29.65709 2.18080 2.35286 -29.93945 1101.74895
2060.0000 -32.05420 -29.62666 2.42754 2.37757 -29.78917 1222.50872
2065.0000 -32.30301 -29.72497 2.57804 2.36465 -29.86775 1187.73564
2070.0000 -32.44093 -30.70481 1.73612 2.31987 -30.14010 1183.50382
2075.0000 -32.00295 -30.05789 1.94506 2.18039 -30.98845 1031.20510
2080.0000 -32.40625 -29.66716 2.73908 2.41889 -29.53782 1260.16331
2085.0000 -33.62855 -31.00415 2.62441 2.29260 -30.30593 1210.32921
2090.0000 -32.40630 -30.33678 2.06951 2.21745 -30.76302 1082.78712
2095.0000 -32.14249 -30.21703 1.92546 2.23430 -30.66051 1056.71132
2100.0000 -32.75780 -30.64357 2.11424 2.23348 -30.66555 1049.99722
2105.0000 -32.59346 -30.31984 2.27362 2.26224 -30.49058 1203.14428
2110.0000 -32.86383 -30.66679 2.19705 2.27146 -30.43451 1039.04841
2115.0000 -32.65517 -30.65551 1.99967 2.21416 -30.78303 1087.35731
2120.0000 -33.10439 -30.46260 2.64178 2.25421 -30.53942 1186.58652
2125.0000 -33.40998 -31.16895 2.24103 2.23653 -30.64697 1105.95763
2130.0000 -32.65956 -30.34893 2.31063 2.18372 -30.96818 1058.00219
2135.0000 -33.41076 -31.37688 2.03388 2.17858 -30.99941 1173.85976
2140.0000 -32.39914 -30.63687 1.76226 2.10477 -31.44834 952.04177
2145.0000 -32.54477 -30.59732 1.94745 2.23567 -30.65220 1015.90015
2150.0000 -33.35386 -31.58894 1.76492 2.17355 -31.03000 967.83459
2155.0000 -32.83769 -30.87059 1.96710 2.11467 -31.38818 979.62433
2160.0000 -33.18451 -31.21895 1.96556 2.13859 -31.24268 1042.83591
2165.0000 -32.76566 -30.80842 1.95724 2.14785 -31.18636 942.44828
2170.0000 -33.48509 -31.42478 2.06031 2.14423 -31.20838 997.24374
2175.0000 -32.75862 -29.78924 2.96937 2.13161 -31.28511 1078.94174
2180.0000 -32.07655 -29.99326 2.08329 2.33499 -30.04814 1088.69085
2185.0000 -32.36542 -30.15351 2.21191 2.30156 -30.25146 1085.35105
2190.0000 -32.99033 -30.50174 2.48858 2.33020 -30.07725 1148.58776
2195.0000 -32.47253 -30.66917 1.80336 2.16774 -31.06536 990.06168
2200.0000 -33.24493 -31.83113 1.41380 2.20231 -30.85511 1044.45865
2205.0000 -33.68530 -32.06793 1.61737 2.04107 -31.83581 920.21518
2210.0000 -33.58055 -32.64157 0.93898 1.93576 -32.47631 750.11506
2215.0000 -32.69676 -30.62674 2.07002 2.01047 -32.02193 820.21650
2220.0000 -32.52067 -29.01800 3.50267 2.34516 -29.98629 1219.49551
2225.0000 -32.70639 -30.35323 2.35316 2.47024 -29.22547 1353.11129
2230.0000 -31.22632 -29.12758 2.09875 2.38196 -29.76241 1164.91542
2235.0000 -30.40066 -28.80395 1.59671 2.53829 -28.81159 1264.13571
2240.0000 -32.56700 -30.30018 2.26682 2.43718 -29.42656 1201.02063
2245.0000 -32.35947 -30.72777 1.63170 2.21631 -30.76997 1055.05612
2250.0000 -32.50243 -30.51887 1.98356 2.32541 -30.10641 1095.77994
FREEZING PROCESS: loop number 10 T-loop= 1090.0000000000000
main_MD> interactions number 10 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53770 -0.75765 -0.54142
force_rgl> df(natom) -2.72642 0.41969 1.90738
2255.0000 -32.68643 -30.05124 2.63519 2.26670 -30.46348 1175.31393
2260.0000 -31.79526 -30.10690 1.68836 2.33967 -30.01968 1159.82288
2265.0000 -31.21574 -29.62953 1.58620 2.41327 -29.57199 1240.54680
2270.0000 -31.50095 -29.59421 1.90673 2.40896 -29.59824 1202.69021
2275.0000 -32.42149 -31.18450 1.23700 2.30355 -30.23933 1129.47023
2280.0000 -32.91146 -30.90074 2.01071 2.21398 -30.78411 929.35474
2285.0000 -32.58603 -30.72134 1.86469 2.22605 -30.71072 984.24149
2290.0000 -32.85905 -30.97650 1.88255 2.23098 -30.68075 1071.94491
2295.0000 -32.98486 -30.74525 2.23961 2.20568 -30.83460 1124.32933
2300.0000 -32.94459 -30.43490 2.50970 2.22621 -30.70975 1047.22974
2305.0000 -31.32111 -29.12209 2.19902 2.39882 -29.65990 1284.47279
2310.0000 -31.47263 -28.64012 2.83251 2.49194 -29.09350 1210.70222
2315.0000 -33.64522 -31.83613 1.80909 2.27986 -30.38345 1134.48020
2320.0000 -33.78737 -31.49007 2.29730 2.05436 -31.75496 919.61525
2325.0000 -32.99807 -29.91141 3.08666 2.22737 -30.70269 1052.10591
2330.0000 -32.49034 -30.91997 1.57037 2.29065 -30.31779 1109.24869
2335.0000 -32.86848 -30.27922 2.58925 2.23505 -30.65598 1035.86144
2340.0000 -32.85704 -29.70661 3.15044 2.29217 -30.30856 1105.40381
2345.0000 -33.13681 -30.72590 2.41092 2.34943 -29.96028 1216.76525
2350.0000 -32.39933 -30.35569 2.04364 2.22517 -30.71605 1029.32761
2355.0000 -31.52745 -29.21770 2.30975 2.35055 -29.95346 1165.52558
2360.0000 -31.02525 -29.57548 1.44976 2.48867 -29.11342 1289.70076
2365.0000 -32.64525 -30.41222 2.23303 2.31686 -30.15837 1195.17519
2370.0000 -32.40915 -30.60964 1.79951 2.25960 -30.50666 1108.60767
2375.0000 -32.97620 -29.84750 3.12870 2.27139 -30.43494 1138.35785
2380.0000 -32.29467 -29.79971 2.49496 2.37481 -29.80590 1241.71516
2385.0000 -31.97085 -29.36488 2.60598 2.32119 -30.13203 1120.01385
2390.0000 -33.26546 -31.88104 1.38442 2.36884 -29.84223 1219.98983
2395.0000 -32.98264 -31.22617 1.75647 2.13642 -31.25585 845.26132
2400.0000 -33.14363 -31.01784 2.12578 2.19251 -30.91474 924.52064
2405.0000 -32.49196 -30.38545 2.10651 2.24889 -30.57178 1033.22098
2410.0000 -32.47853 -30.07065 2.40788 2.28807 -30.33348 1141.70691
2415.0000 -31.19410 -28.82488 2.36922 2.47854 -29.17500 1345.57317
2420.0000 -31.82544 -29.27433 2.55111 2.44667 -29.36884 1327.43178
2425.0000 -31.65938 -29.59424 2.06514 2.40450 -29.62535 1176.29667
2430.0000 -33.07195 -29.77888 3.29306 2.36792 -29.84783 1254.81831
2435.0000 -32.43121 -30.82085 1.61036 2.37002 -29.83508 1302.27392
2440.0000 -31.56993 -29.90767 1.66226 2.31507 -30.16926 1198.09865
2445.0000 -32.16588 -29.56963 2.59625 2.32525 -30.10734 1108.85318
2450.0000 -31.55913 -29.26699 2.29215 2.40767 -29.60607 1212.75355
2455.0000 -32.28501 -30.14701 2.13800 2.37358 -29.81338 1130.75678
2460.0000 -31.64712 -29.68516 1.96195 2.35604 -29.92011 1111.97671
2465.0000 -32.27457 -31.00998 1.26459 2.32053 -30.13609 1117.32232
2470.0000 -32.82552 -30.76796 2.05756 2.27702 -30.40068 1083.21096
2475.0000 -33.32050 -31.62881 1.69169 2.18511 -30.95971 1057.34382
2480.0000 -33.06820 -31.49161 1.57659 2.08790 -31.55095 926.49467
2485.0000 -32.65492 -31.71074 0.94418 2.13111 -31.28816 892.80587
2490.0000 -32.82480 -31.39258 1.43222 2.08952 -31.54115 783.75250
2495.0000 -33.67831 -31.61197 2.06634 2.10407 -31.45260 958.18310
2500.0000 -32.51743 -30.51823 1.99920 2.17595 -31.01540 960.89675
FREEZING PROCESS: loop number 11 T-loop= 1065.0000000000000
main_MD> interactions number 11 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39626 1.92254 -1.16264
force_rgl> df(natom) -5.54479 -1.83345 2.26895
2505.0000 -32.36996 -30.76319 1.60678 2.21695 -30.76606 1004.37574
2510.0000 -32.53127 -30.88821 1.64305 2.20586 -30.83353 972.22432
2515.0000 -33.17925 -31.12258 2.05667 2.19212 -30.91710 1006.49562
2520.0000 -32.68122 -30.11319 2.56802 2.18460 -30.96281 1068.02103
2525.0000 -33.23934 -30.24299 2.99635 2.35994 -29.89635 1264.98441
2530.0000 -31.57869 -29.78138 1.79730 2.32980 -30.07971 1205.29538
2535.0000 -32.38213 -30.01790 2.36423 2.42257 -29.51544 1271.20408
2540.0000 -31.69012 -29.55119 2.13893 2.26388 -30.48062 1037.02151
2545.0000 -32.31893 -29.90265 2.41628 2.32561 -30.10519 1150.01662
2550.0000 -32.02026 -29.68828 2.33198 2.33755 -30.03257 1211.30171
2555.0000 -32.20878 -29.61480 2.59398 2.41529 -29.55974 1259.14767
2560.0000 -32.52596 -30.62321 1.90275 2.24578 -30.59069 949.92441
2565.0000 -32.57000 -30.11138 2.45861 2.23347 -30.66559 936.59405
2570.0000 -32.89875 -31.36162 1.53713 2.22144 -30.73874 989.10122
2575.0000 -32.45059 -30.33183 2.11876 2.20184 -30.85794 953.21801
2580.0000 -32.78471 -30.68741 2.09730 2.25965 -30.50633 1084.31726
2585.0000 -32.46086 -30.96492 1.49594 2.20849 -30.81753 986.05773
2590.0000 -32.93505 -30.06931 2.86574 2.15122 -31.16585 1022.70705
2595.0000 -33.64643 -31.25370 2.39273 2.22323 -30.72789 1068.87587
2600.0000 -33.21722 -31.06708 2.15014 2.15608 -31.13631 1069.96577
2605.0000 -32.66452 -30.38534 2.27919 2.22994 -30.68704 1174.29488
2610.0000 -32.79370 -30.91182 1.88188 2.29506 -30.29099 1126.11668
2615.0000 -32.35237 -30.52986 1.82251 2.18664 -30.95044 985.37428
2620.0000 -33.03626 -31.07229 1.96396 2.23097 -30.68082 1091.22870
2625.0000 -32.94390 -30.61635 2.32755 2.19575 -30.89500 1081.76793
2630.0000 -32.20355 -29.82848 2.37506 2.24829 -30.57545 1063.64620
2635.0000 -33.74085 -30.75334 2.98751 2.36933 -29.83928 1265.00475
2640.0000 -33.42764 -31.59024 1.83739 2.13364 -31.27275 1014.22268
2645.0000 -33.29157 -31.57131 1.72025 2.11108 -31.40997 909.30997
2650.0000 -33.75131 -31.81415 1.93717 2.03391 -31.87935 872.20997
2655.0000 -33.26814 -31.34092 1.92722 2.04763 -31.79592 901.77400
2660.0000 -32.82891 -31.37572 1.45319 2.17093 -31.04594 1042.76190
2665.0000 -32.69563 -30.78050 1.91513 2.18303 -30.97240 1032.72949
2670.0000 -33.18312 -31.18255 2.00057 2.18823 -30.94072 931.50548
2675.0000 -31.99674 -29.97869 2.01806 2.30415 -30.23571 1184.68758
2680.0000 -31.57132 -29.31915 2.25217 2.45385 -29.32520 1302.92117
2685.0000 -32.31461 -30.39016 1.92445 2.35745 -29.91152 1254.58374
2690.0000 -32.64118 -29.86347 2.77771 2.25173 -30.55453 1097.19803
2695.0000 -33.01144 -30.80261 2.20883 2.21365 -30.78612 1105.72137
2700.0000 -33.00630 -30.70719 2.29911 2.15742 -31.12814 1007.88773
2705.0000 -32.61990 -31.19394 1.42596 2.15173 -31.16275 1066.30634
2710.0000 -33.66942 -31.19928 2.47014 2.11262 -31.40060 1031.52897
2715.0000 -32.96709 -31.83797 1.12912 2.11146 -31.40769 944.15451
2720.0000 -32.46787 -30.72846 1.73941 2.16973 -31.05326 914.99857
2725.0000 -31.64597 -29.92976 1.71620 2.32541 -30.10640 1062.77272
2730.0000 -32.03387 -30.02476 2.00910 2.31076 -30.19551 1024.82104
2735.0000 -32.44224 -30.24257 2.19966 2.28290 -30.36495 1128.78684
2740.0000 -31.99041 -29.34705 2.64336 2.44422 -29.38377 1209.88391
2745.0000 -32.69253 -30.64335 2.04919 2.36523 -29.86421 1157.77621
2750.0000 -32.97045 -30.81767 2.15278 2.24224 -30.61225 1041.67058
FREEZING PROCESS: loop number 12 T-loop= 1040.0000000000000
main_MD> interactions number 12 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35501 -0.25572 -2.95671
force_rgl> df(natom) 0.76720 4.03753 2.02479
2755.0000 -32.75699 -31.49994 1.25705 2.10924 -31.42115 875.88231
2760.0000 -32.91550 -30.85921 2.05629 2.12868 -31.30292 922.66539
2765.0000 -32.78659 -30.51842 2.26817 2.22064 -30.74360 1098.54218
2770.0000 -32.69529 -30.52164 2.17365 2.24291 -30.60815 1088.44934
2775.0000 -33.05895 -30.82797 2.23098 2.21256 -30.79273 1068.64452
2780.0000 -31.68897 -29.96546 1.72351 2.31381 -30.17696 1170.93543
2785.0000 -33.14015 -31.24861 1.89154 2.22134 -30.73939 999.19568
2790.0000 -33.20133 -31.12696 2.07436 2.07273 -31.64322 950.73182
2795.0000 -33.08903 -31.46515 1.62388 2.18450 -30.96341 1086.42262
2800.0000 -33.09748 -31.32364 1.77383 2.15186 -31.16197 944.87665
2805.0000 -32.33382 -30.37954 1.95428 2.17691 -31.00961 1079.73863
2810.0000 -32.78772 -30.58024 2.20747 2.27727 -30.39916 1126.57233
2815.0000 -32.96673 -29.89397 3.07276 2.25683 -30.52351 993.45712
2820.0000 -31.48373 -29.84912 1.63461 2.36811 -29.84666 1150.64044
2825.0000 -32.43069 -30.26001 2.17068 2.38147 -29.76542 1204.88927
2830.0000 -32.34211 -30.44401 1.89809 2.17806 -31.00262 889.31910
2835.0000 -32.54923 -31.05650 1.49273 2.22505 -30.71679 1055.63791
2840.0000 -32.86879 -31.17230 1.69649 2.23691 -30.64467 1018.03904
2845.0000 -32.45615 -30.75621 1.69994 2.18937 -30.93383 942.61892
2850.0000 -32.72059 -30.51972 2.20087 2.18880 -30.93727 974.22124
2855.0000 -32.82430 -30.44655 2.37775 2.23715 -30.64322 968.01752
2860.0000 -33.73705 -31.21657 2.52048 2.24523 -30.59407 1066.91946
2865.0000 -31.61695 -30.00470 1.61225 2.23287 -30.66925 1120.62325
2870.0000 -32.33928 -29.97951 2.35977 2.43196 -29.45833 1268.96589
2875.0000 -32.29921 -29.91432 2.38489 2.28700 -30.33998 1094.78135
2880.0000 -33.32276 -31.56567 1.75710 2.21528 -30.77623 943.85650
2885.0000 -32.92288 -30.55838 2.36450 2.21465 -30.78007 1013.31365
2890.0000 -32.58238 -29.81176 2.77062 2.27799 -30.39479 1130.55912
2895.0000 -32.20326 -30.39256 1.81070 2.21199 -30.79625 1025.12071
2900.0000 -32.92315 -31.38082 1.54232 2.22590 -30.71163 1078.15165
2905.0000 -32.77369 -30.93439 1.83930 2.15279 -31.15627 1020.28365
2910.0000 -33.97198 -32.06339 1.90859 2.12166 -31.34566 953.79278
2915.0000 -33.78483 -32.23477 1.55006 1.95246 -32.37475 720.96233
2920.0000 -32.84663 -31.27204 1.57459 2.06481 -31.69142 827.06760
2925.0000 -32.84792 -30.92452 1.92340 2.24415 -30.60061 947.53512
2930.0000 -31.89542 -29.88172 2.01370 2.22434 -30.72113 1018.63566
2935.0000 -31.48149 -29.84681 1.63469 2.31060 -30.19645 1096.92069
2940.0000 -32.63319 -29.89036 2.74284 2.39266 -29.69736 1330.82283
2945.0000 -32.34690 -30.50841 1.83849 2.28409 -30.35773 1069.27005
2950.0000 -32.68578 -30.87165 1.81412 2.23366 -30.66443 916.89562
2955.0000 -33.67345 -31.67628 1.99716 2.14833 -31.18344 1002.39001
2960.0000 -32.91163 -31.20121 1.71041 2.15084 -31.16814 1010.00151
2965.0000 -32.83852 -30.61787 2.22065 2.21523 -30.77651 969.62939
2970.0000 -32.49715 -30.97943 1.51772 2.18144 -30.98207 964.31876
2975.0000 -33.27411 -30.67310 2.60102 2.18162 -30.98094 968.01431
2980.0000 -32.48723 -30.28820 2.19904 2.30991 -30.20066 1183.95942
2985.0000 -32.64731 -30.21922 2.42810 2.29582 -30.28634 1110.57210
2990.0000 -32.95239 -31.35909 1.59330 2.15725 -31.12914 892.97045
2995.0000 -32.47181 -30.57272 1.89909 2.16007 -31.11205 1027.45642
3000.0000 -32.94704 -31.72284 1.22420 2.14763 -31.18766 901.43663
FREEZING PROCESS: loop number 13 T-loop= 1015.0000000000000
main_MD> interactions number 13 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.28606 5.28415 4.43361
force_rgl> df(natom) 2.20874 2.24507 -0.04813
3005.0000 -32.96252 -31.13176 1.83076 2.10387 -31.45382 779.55647
3010.0000 -32.75309 -30.12458 2.62851 2.29831 -30.27124 1123.45923
3015.0000 -34.00091 -31.91220 2.08871 2.05162 -31.77165 988.76642
3020.0000 -34.26350 -32.83047 1.43303 1.95096 -32.38388 811.85448
3025.0000 -33.37259 -31.91637 1.45622 1.96687 -32.28710 833.21389
3030.0000 -32.91309 -31.49824 1.41485 2.08690 -31.55705 945.79904
3035.0000 -33.39489 -31.45147 1.94343 2.08377 -31.57610 836.53092
3040.0000 -32.59525 -30.54180 2.05345 2.18962 -30.93228 959.61459
3045.0000 -32.12474 -29.57617 2.54857 2.35833 -29.90616 1194.73706
3050.0000 -32.62660 -31.34633 1.28026 2.26752 -30.45849 1152.36155
3055.0000 -32.13548 -30.75982 1.37566 2.14026 -31.23253 920.17588
3060.0000 -33.10222 -31.44502 1.65720 2.08559 -31.56505 907.74847
3065.0000 -33.20094 -31.85399 1.34695 2.06136 -31.71241 815.74455
3070.0000 -33.76714 -31.94135 1.82580 2.04691 -31.80031 779.47046
3075.0000 -33.94167 -32.03209 1.90958 2.03983 -31.84334 899.45803
3080.0000 -33.22886 -31.15050 2.07836 2.14040 -31.23167 960.04102
3085.0000 -32.74985 -31.23897 1.51087 2.15056 -31.16985 1083.66868
3090.0000 -33.56467 -31.78481 1.77986 2.08574 -31.56413 998.12246
3095.0000 -32.80084 -31.14255 1.65829 2.09130 -31.53027 947.91228
3100.0000 -33.42613 -31.58242 1.84371 2.07895 -31.60543 869.47455
3105.0000 -33.23515 -30.67241 2.56274 2.16467 -31.08407 1093.41243
3110.0000 -33.23670 -30.76884 2.46786 2.18266 -30.97459 1043.67962
3115.0000 -32.45389 -30.63154 1.82235 2.19699 -30.88745 1074.90224
3120.0000 -32.86158 -30.07327 2.78831 2.26050 -30.50120 953.42565
3125.0000 -32.78394 -30.89916 1.88479 2.24137 -30.61751 1054.04267
3130.0000 -33.26481 -31.15472 2.11009 2.14657 -31.19414 942.03291
3135.0000 -33.44490 -31.74692 1.69798 2.12219 -31.34241 902.60630
3140.0000 -32.93472 -31.55506 1.37966 2.08841 -31.54784 843.56377
3145.0000 -33.18505 -31.65048 1.53456 2.04927 -31.78592 781.83902
3150.0000 -32.83420 -30.84709 1.98712 2.12205 -31.34327 989.48761
3155.0000 -32.68593 -30.33149 2.35444 2.27403 -30.41887 1041.74629
3160.0000 -32.64173 -31.06920 1.57254 2.19402 -30.90550 986.12035
3165.0000 -33.16024 -31.18441 1.97583 2.16568 -31.07792 984.78593
3170.0000 -33.06395 -30.96584 2.09811 2.17527 -31.01958 985.52523
3175.0000 -31.94530 -30.27512 1.67017 2.20039 -30.86679 973.23312
3180.0000 -32.25940 -30.02955 2.22985 2.26336 -30.48382 1135.94764
3185.0000 -33.51435 -30.90889 2.60545 2.22767 -30.70086 1013.43095
3190.0000 -32.35577 -29.99635 2.35942 2.20756 -30.82317 1020.76450
3195.0000 -32.70075 -30.72880 1.97195 2.27721 -30.39952 1131.45193
3200.0000 -32.38144 -30.52994 1.85150 2.27151 -30.43422 1088.76519
3205.0000 -33.58111 -31.33135 2.24976 2.20677 -30.82800 936.62870
3210.0000 -33.71953 -31.31173 2.40779 2.13530 -31.26269 1044.74188
3215.0000 -32.90857 -30.98832 1.92025 2.19907 -30.87482 982.18118
3220.0000 -33.63527 -30.97769 2.65758 2.23711 -30.64342 1058.59677
3225.0000 -32.83663 -31.17871 1.65792 2.12585 -31.32016 997.83009
3230.0000 -32.09075 -30.94498 1.14577 2.16580 -31.07719 998.92854
3235.0000 -32.90149 -31.18813 1.71336 2.17428 -31.02560 923.99748
3240.0000 -32.73272 -31.10694 1.62577 2.10028 -31.47569 971.08171
3245.0000 -33.04832 -31.39116 1.65715 2.09346 -31.51716 929.52170
3250.0000 -33.42054 -31.09293 2.32762 2.07347 -31.63875 934.77643
FREEZING PROCESS: loop number 14 T-loop= 990.00000000000000
main_MD> interactions number 14 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99950 -0.89994 0.31560
force_rgl> df(natom) -0.66468 -3.74903 -0.75318
3255.0000 -32.88596 -31.14304 1.74292 2.19727 -30.88577 999.00497
3260.0000 -31.67268 -29.89703 1.77565 2.30764 -30.21447 1107.42790
3265.0000 -31.93218 -30.43880 1.49338 2.28621 -30.34479 1085.30493
3270.0000 -32.21343 -30.14280 2.07063 2.29759 -30.27558 1142.36672
3275.0000 -32.37738 -29.93052 2.44686 2.36617 -29.85849 1160.32412
3280.0000 -32.44124 -30.48083 1.96041 2.31615 -30.16268 1088.75908
3285.0000 -32.22043 -29.94411 2.27631 2.29855 -30.26977 1144.25441
3290.0000 -32.51422 -29.96443 2.54979 2.33774 -30.03140 1244.49655
3295.0000 -32.95257 -30.82961 2.12295 2.23941 -30.62948 1105.65558
3300.0000 -33.60581 -31.64436 1.96145 2.10853 -31.42549 954.84187
3305.0000 -33.79879 -31.27620 2.52259 2.05151 -31.77233 881.67764
3310.0000 -34.13947 -31.77566 2.36381 2.08282 -31.58189 898.89633
3315.0000 -33.85110 -32.45967 1.39143 1.99623 -32.10852 858.06981
3320.0000 -33.02708 -31.15314 1.87395 2.01245 -32.00986 771.21041
3325.0000 -33.01704 -30.34803 2.66901 2.22858 -30.69534 1026.10423
3330.0000 -32.56513 -30.26367 2.30146 2.25784 -30.51736 1103.20134
3335.0000 -32.93894 -30.93806 2.00088 2.25676 -30.52391 1014.77632
3340.0000 -33.01853 -31.72112 1.29741 2.15193 -31.16151 867.80300
3345.0000 -33.46120 -31.61114 1.85007 2.02880 -31.91045 804.40848
3350.0000 -33.68870 -31.79668 1.89202 2.11874 -31.36339 1005.05645
3355.0000 -32.43629 -30.47174 1.96455 2.14291 -31.21639 929.85970
3360.0000 -32.72519 -30.64563 2.07957 2.15458 -31.14543 1011.25945
3365.0000 -32.47138 -30.63524 1.83614 2.23062 -30.68292 991.23435
3370.0000 -32.51255 -30.52977 1.98278 2.24775 -30.57872 1030.94759
3375.0000 -33.18338 -30.92929 2.25409 2.18820 -30.94093 957.63329
3380.0000 -33.44228 -31.58692 1.85536 2.13363 -31.27283 1039.98418
3385.0000 -32.39860 -30.06898 2.32962 2.30048 -30.25800 1141.23301
3390.0000 -32.92716 -30.66098 2.26618 2.25731 -30.52059 1057.11703
3395.0000 -32.55296 -30.67562 1.87735 2.22269 -30.73117 1144.46053
3400.0000 -33.10790 -31.07079 2.03711 2.22973 -30.68832 997.07202
3405.0000 -32.79557 -31.28017 1.51540 2.21960 -30.74993 1039.65861
3410.0000 -33.70586 -32.15256 1.55330 2.05349 -31.76028 822.11954
3415.0000 -34.29379 -32.20957 2.08422 1.97808 -32.21894 780.91818
3420.0000 -34.03822 -31.70963 2.32859 1.99321 -32.12689 792.91376
3425.0000 -33.00804 -30.96693 2.04111 2.07982 -31.60011 895.94331
3430.0000 -32.37315 -31.23588 1.13727 2.16503 -31.08184 963.37980
3435.0000 -33.83204 -32.28695 1.54509 2.06029 -31.71891 895.59936
3440.0000 -33.51529 -32.29099 1.22430 1.97420 -32.24254 790.65641
3445.0000 -33.16498 -31.15564 2.00934 2.09181 -31.52718 952.66021
3450.0000 -32.90258 -31.62671 1.27587 2.12927 -31.29936 954.83727
3455.0000 -33.67516 -31.77946 1.89570 2.05776 -31.73426 864.42976
3460.0000 -33.05573 -31.49148 1.56424 2.20936 -30.81223 1015.03210
3465.0000 -33.82496 -32.15870 1.66626 2.06964 -31.66206 951.83001
3470.0000 -33.50177 -31.96445 1.53733 1.99672 -32.10557 771.55763
3475.0000 -33.34088 -31.60165 1.73923 2.01144 -32.01603 814.22522
3480.0000 -33.34505 -31.64647 1.69858 2.02518 -31.93244 764.50961
3485.0000 -32.29374 -30.01298 2.28077 2.15950 -31.11549 992.43582
3490.0000 -32.65752 -30.71615 1.94137 2.28826 -30.33234 1185.22522
3495.0000 -32.48973 -30.72613 1.76360 2.22186 -30.73620 918.51667
3500.0000 -33.22277 -30.71023 2.51254 2.22419 -30.72201 1021.76492
FREEZING PROCESS: loop number 15 T-loop= 965.00000000000000
main_MD> interactions number 15 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33218 -0.92807 0.52576
force_rgl> df(natom) -1.29403 3.16434 -0.40197
3505.0000 -32.94580 -30.96760 1.97820 2.22412 -30.72243 1067.44066
3510.0000 -33.84352 -32.30801 1.53551 2.03905 -31.84811 835.09702
3515.0000 -34.32974 -33.03755 1.29219 1.96624 -32.29095 838.35026
3520.0000 -33.47224 -32.33985 1.13239 2.00707 -32.04261 887.38244
3525.0000 -32.99424 -30.18069 2.81355 2.17294 -31.03376 1028.35602
3530.0000 -33.80057 -32.77073 1.02984 2.15712 -31.12994 1050.37632
3535.0000 -33.37331 -32.20240 1.17091 1.91796 -32.58459 732.61310
3540.0000 -33.41713 -32.12890 1.28823 1.98780 -32.15981 818.49548
3545.0000 -33.31130 -31.63039 1.68091 2.01703 -31.98203 859.08445
3550.0000 -33.75045 -31.79665 1.95380 2.07744 -31.61461 921.58358
3555.0000 -33.07938 -31.32136 1.75801 2.02911 -31.90853 814.11372
3560.0000 -32.03183 -30.64290 1.38892 2.23133 -30.67862 1030.97437
3565.0000 -32.57450 -30.29067 2.28383 2.22333 -30.72725 1060.70213
3570.0000 -32.72325 -30.78615 1.93710 2.25956 -30.50691 1050.98578
3575.0000 -32.09009 -29.84214 2.24795 2.24708 -30.58278 1149.99095
3580.0000 -32.75238 -30.28087 2.47151 2.38518 -29.74286 1229.96675
3585.0000 -32.43691 -30.52997 1.90694 2.32277 -30.12247 1169.23098
3590.0000 -32.49572 -30.81709 1.67863 2.32607 -30.10235 1160.93661
3595.0000 -33.03140 -31.42508 1.60632 2.17966 -30.99289 991.67206
3600.0000 -32.99418 -31.37500 1.61918 2.08628 -31.56081 890.23900
3605.0000 -32.95500 -31.04656 1.90844 2.12524 -31.32383 875.96984
3610.0000 -32.56439 -30.33981 2.22458 2.26138 -30.49584 1079.32403
3615.0000 -32.30998 -30.32477 1.98521 2.28976 -30.32323 1110.65745
3620.0000 -31.42608 -29.54021 1.88587 2.40534 -29.62024 1226.45604
3625.0000 -31.51309 -29.60858 1.90451 2.41720 -29.54812 1222.18989
3630.0000 -32.24240 -29.63006 2.61234 2.36601 -29.85947 1162.11465
3635.0000 -32.72669 -31.16451 1.56218 2.24855 -30.57385 1026.27777
3640.0000 -32.24892 -29.67971 2.56921 2.25464 -30.53682 1069.15185
3645.0000 -32.71606 -30.34782 2.36825 2.33107 -30.07197 1138.11570
3650.0000 -32.69593 -30.89674 1.79918 2.23246 -30.67175 1002.64418
3655.0000 -32.79486 -30.95920 1.83566 2.20316 -30.84994 932.38903
3660.0000 -32.23444 -29.85006 2.38438 2.25109 -30.55840 994.66809
3665.0000 -32.77017 -30.69089 2.07929 2.28714 -30.33913 1099.58081
3670.0000 -32.98098 -30.94096 2.04002 2.24951 -30.56801 1052.45108
3675.0000 -32.38834 -30.92389 1.46446 2.16897 -31.05791 855.46261
3680.0000 -31.40360 -30.15517 1.24842 2.26850 -30.45255 915.45452
3685.0000 -32.85549 -30.95117 1.90433 2.24929 -30.56939 1136.68449
3690.0000 -33.29541 -31.59425 1.70116 2.08612 -31.56178 901.34237
3695.0000 -33.01896 -30.81938 2.19957 2.15741 -31.12819 1013.70472
3700.0000 -31.96062 -30.02574 1.93488 2.22850 -30.69583 965.90142
3705.0000 -32.69048 -30.08984 2.60065 2.30024 -30.25949 1093.98457
3710.0000 -33.08560 -30.91382 2.17177 2.22157 -30.73799 1014.20464
3715.0000 -32.92007 -30.72039 2.19968 2.25229 -30.55109 1089.15765
3720.0000 -33.97698 -32.15242 1.82456 2.14037 -31.23186 1012.43496
3725.0000 -33.60821 -31.74747 1.86074 2.05425 -31.75562 912.46977
3730.0000 -32.83039 -31.19467 1.63571 2.02498 -31.93368 860.49819
3735.0000 -32.61232 -31.13638 1.47595 2.13422 -31.26925 945.79891
3740.0000 -32.48666 -30.70890 1.77776 2.18664 -30.95039 1050.49591
3745.0000 -33.94722 -32.53339 1.41383 2.12055 -31.35238 1023.92879
3750.0000 -33.46972 -32.02678 1.44294 1.97084 -32.26297 726.04702
FREEZING PROCESS: loop number 16 T-loop= 940.00000000000000
main_MD> interactions number 16 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.51149 0.88114 1.42740
force_rgl> df(natom) 0.41631 0.44296 -2.32285
3755.0000 -33.29489 -31.88976 1.40513 2.02019 -31.96281 919.15855
3760.0000 -32.67092 -31.18716 1.48376 2.04148 -31.83333 932.89629
3765.0000 -33.48847 -31.74425 1.74422 2.00726 -32.04147 860.16734
3770.0000 -33.71078 -32.46609 1.24469 1.94389 -32.42688 775.02933
3775.0000 -33.72652 -32.43649 1.29004 1.93352 -32.48997 747.79154
3780.0000 -33.84896 -32.30535 1.54361 2.03949 -31.84543 919.39887
3785.0000 -33.29757 -31.82324 1.47433 1.97691 -32.22606 813.93579
3790.0000 -33.67495 -32.25497 1.41999 2.06411 -31.69564 888.85940
3795.0000 -32.57762 -31.24728 1.33034 2.15810 -31.12403 935.06613
3800.0000 -33.44157 -31.23787 2.20369 2.10972 -31.41829 1000.39579
3805.0000 -33.07481 -31.32767 1.74713 2.13146 -31.28605 1045.28190
3810.0000 -33.74541 -32.18921 1.55619 2.02552 -31.93038 872.43309
3815.0000 -33.98388 -32.33132 1.65256 1.93582 -32.47593 736.70071
3820.0000 -33.14737 -31.58844 1.55893 2.07821 -31.60992 846.82314
3825.0000 -33.36727 -31.33188 2.03539 2.05657 -31.74150 783.92466
3830.0000 -33.96342 -31.17432 2.78910 2.08480 -31.56984 1016.56993
3835.0000 -32.85170 -31.68424 1.16746 2.08036 -31.59682 927.59699
3840.0000 -33.53023 -31.50458 2.02565 2.07269 -31.64346 911.80941
3845.0000 -33.21467 -31.30991 1.90476 2.11021 -31.41528 1048.97659
3850.0000 -33.17804 -31.40597 1.77207 2.12627 -31.31760 959.10347
3855.0000 -32.59886 -30.43008 2.16878 2.21436 -30.78181 1019.00349
3860.0000 -31.67373 -30.28465 1.38908 2.28793 -30.33438 1099.90974
3865.0000 -32.37691 -30.24943 2.12748 2.29133 -30.31365 1042.37675
3870.0000 -32.84350 -30.70210 2.14140 2.25378 -30.54206 1147.41472
3875.0000 -32.75410 -30.35574 2.39836 2.16168 -31.10220 1035.13228
3880.0000 -34.08820 -32.89523 1.19297 2.11121 -31.40920 1025.74651
3885.0000 -33.42319 -31.61075 1.81244 1.96137 -32.32052 760.07263
3890.0000 -32.78225 -31.38034 1.40190 2.04398 -31.81811 918.17902
3895.0000 -32.90587 -30.96262 1.94325 2.14584 -31.19857 1004.47893
3900.0000 -33.21569 -31.94040 1.27529 2.10828 -31.42699 926.40896
3905.0000 -33.11878 -31.11025 2.00853 2.12516 -31.32432 903.93111
3910.0000 -33.86715 -31.95722 1.90993 2.12201 -31.34353 882.15934
3915.0000 -33.71508 -32.33794 1.37714 1.98830 -32.15678 794.18475
3920.0000 -32.74520 -31.13367 1.61153 2.05964 -31.72285 939.39919
3925.0000 -33.01868 -30.50834 2.51033 2.15218 -31.16001 1066.28289
3930.0000 -32.60666 -29.80481 2.80185 2.24474 -30.59705 1164.14306
3935.0000 -33.20240 -31.05808 2.14431 2.28043 -30.37998 1139.21270
3940.0000 -33.93954 -32.09794 1.84160 2.01720 -31.98099 841.32922
3945.0000 -33.14413 -32.01719 1.12694 2.00699 -32.04311 771.76865
3950.0000 -32.79320 -31.55028 1.24292 2.13288 -31.27740 802.48535
3955.0000 -33.17561 -32.08225 1.09336 2.05907 -31.72633 835.28573
3960.0000 -32.70363 -30.73837 1.96526 2.07752 -31.61409 921.48571
3965.0000 -33.46140 -31.63937 1.82203 2.09776 -31.49102 906.80207
3970.0000 -33.22615 -31.89114 1.33501 2.11138 -31.40818 980.29055
3975.0000 -34.08507 -32.86147 1.22360 1.91104 -32.62664 701.59973
3980.0000 -33.90357 -32.04382 1.85975 1.94840 -32.39942 733.82112
3985.0000 -32.83922 -30.93236 1.90686 2.13164 -31.28495 952.83235
3990.0000 -32.30478 -30.35965 1.94513 2.26793 -30.45602 1045.91587
3995.0000 -33.40206 -30.86316 2.53890 2.24866 -30.57321 1101.56417
4000.0000 -33.26298 -31.46609 1.79689 2.10453 -31.44985 966.13938
FREEZING PROCESS: loop number 17 T-loop= 915.00000000000000
main_MD> interactions number 17 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89423 3.61896 -4.91854
force_rgl> df(natom) 0.58382 0.04028 -2.41575
4005.0000 -33.51342 -31.49815 2.01527 2.08070 -31.59478 931.30827
4010.0000 -33.99315 -32.44483 1.54832 2.05434 -31.75510 866.51880
4015.0000 -33.43377 -31.86734 1.56643 2.08264 -31.58298 932.40796
4020.0000 -33.14977 -31.58216 1.56762 2.07950 -31.60208 910.66291
4025.0000 -32.90049 -31.31572 1.58478 2.13003 -31.29474 895.67371
4030.0000 -33.65368 -31.85181 1.80188 2.11558 -31.38264 901.66062
4035.0000 -33.01852 -31.58396 1.43456 2.05375 -31.75869 865.54815
4040.0000 -32.17168 -30.82358 1.34809 2.21104 -30.80201 984.67222
4045.0000 -33.67438 -32.11203 1.56235 2.09297 -31.52014 845.16429
4050.0000 -33.80075 -32.24133 1.55942 2.03457 -31.87534 853.69246
4055.0000 -33.40379 -32.05048 1.35330 1.92483 -32.54280 724.33769
4060.0000 -33.92811 -32.11588 1.81224 2.02548 -31.93062 868.11984
4065.0000 -34.23776 -32.28979 1.94797 2.08998 -31.53830 989.44510
4070.0000 -34.13051 -32.58675 1.54376 1.91019 -32.63186 754.79656
4075.0000 -33.32807 -32.06128 1.26679 1.92170 -32.56183 740.24916
4080.0000 -33.44183 -31.63231 1.80952 2.07268 -31.64353 858.09682
4085.0000 -34.18117 -31.60784 2.57333 2.08895 -31.54461 1016.94026
4090.0000 -33.55149 -31.37095 2.18054 2.12393 -31.33182 938.48104
4095.0000 -33.56605 -31.92945 1.63660 2.05617 -31.74393 935.34809
4100.0000 -32.73500 -31.30942 1.42559 2.08012 -31.59829 939.61121
4105.0000 -33.47063 -32.02709 1.44354 2.08088 -31.59367 876.48872
4110.0000 -33.49063 -31.22622 2.26441 2.06943 -31.66330 914.96490
4115.0000 -32.71103 -31.13570 1.57534 2.07010 -31.65921 969.13582
4120.0000 -33.59174 -31.59827 1.99347 2.13452 -31.26742 959.33811
4125.0000 -33.13667 -31.68827 1.44840 2.07258 -31.64417 882.17815
4130.0000 -32.58571 -31.39465 1.19106 2.07939 -31.60271 897.52464
4135.0000 -33.16113 -31.41709 1.74404 2.13971 -31.23582 885.90169
4140.0000 -32.49674 -31.75257 0.74417 2.09075 -31.53363 830.49443
4145.0000 -33.77728 -32.31953 1.45776 2.00564 -32.05129 746.89623
4150.0000 -33.16672 -31.19008 1.97664 2.02828 -31.91360 949.94313
4155.0000 -33.29161 -31.34194 1.94968 2.09129 -31.53034 888.55863
4160.0000 -32.74198 -30.73092 2.01106 2.17688 -31.00977 965.29473
4165.0000 -32.39713 -30.82696 1.57017 2.15399 -31.14899 885.44851
4170.0000 -34.14094 -31.02725 3.11369 2.12665 -31.31528 890.70352
4175.0000 -33.06788 -31.83069 1.23719 2.09746 -31.49281 904.53008
4180.0000 -32.76214 -31.33157 1.43057 2.10380 -31.45424 899.72963
4185.0000 -33.16921 -30.69115 2.47807 2.19603 -30.89329 1026.90042
4190.0000 -32.47543 -31.33199 1.14344 2.19062 -30.92618 1136.85483
4195.0000 -33.17021 -31.35887 1.81134 2.15773 -31.12628 946.84220
4200.0000 -32.85787 -30.61044 2.24743 2.16923 -31.05630 1045.43392
4205.0000 -33.66453 -31.72340 1.94113 2.12592 -31.31971 1019.12211
4210.0000 -33.54613 -31.81030 1.73583 2.08927 -31.54265 952.89576
4215.0000 -32.87605 -31.40576 1.47029 2.09512 -31.50704 896.15258
4220.0000 -33.48589 -31.33436 2.15153 2.09824 -31.48808 961.12635
4225.0000 -32.38386 -30.59391 1.78995 2.18226 -30.97703 976.02931
4230.0000 -33.36371 -31.48784 1.87587 2.17422 -31.02596 1084.17205
4235.0000 -32.89878 -30.91731 1.98147 2.16755 -31.06654 964.05032
4240.0000 -32.92568 -30.89823 2.02745 2.16575 -31.07747 931.98842
4245.0000 -32.83977 -31.17525 1.66452 2.14468 -31.20563 804.12462
4250.0000 -33.55084 -31.88309 1.66775 2.06221 -31.70724 808.10966
FREEZING PROCESS: loop number 18 T-loop= 890.00000000000000
main_MD> interactions number 18 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.87397 0.71596 -2.71457
force_rgl> df(natom) -2.10358 0.19034 -0.82556
4255.0000 -33.04233 -30.67981 2.36251 2.09289 -31.52065 941.34380
4260.0000 -32.95606 -31.13340 1.82266 2.19511 -30.89892 1075.66634
4265.0000 -33.27744 -31.62859 1.64885 2.15989 -31.11310 996.10528
4270.0000 -33.27762 -31.29694 1.98068 2.09629 -31.49995 884.27047
4275.0000 -32.75762 -30.91902 1.83860 2.17579 -31.01638 963.73875
4280.0000 -33.20894 -31.17200 2.03694 2.21826 -30.75807 998.22729
4285.0000 -33.68329 -31.77073 1.91257 2.12834 -31.30501 988.33574
4290.0000 -33.65181 -31.96969 1.68213 2.08479 -31.56987 932.62749
4295.0000 -33.33193 -31.37940 1.95252 2.07873 -31.60675 872.04380
4300.0000 -34.21594 -31.99333 2.22261 2.12923 -31.29958 968.90648
4305.0000 -34.03807 -32.84051 1.19756 1.96492 -32.29898 881.53062
4310.0000 -34.01599 -32.27964 1.73635 1.90620 -32.65611 711.10099
4315.0000 -33.56532 -31.54279 2.02253 2.01015 -32.02384 932.20060
4320.0000 -32.98970 -30.94923 2.04047 2.13283 -31.27771 997.03102
4325.0000 -33.06891 -31.35097 1.71794 2.17296 -31.03364 1060.08277
4330.0000 -32.59592 -30.49412 2.10180 2.19677 -30.88882 977.45373
4335.0000 -33.35876 -31.62491 1.73385 2.24673 -30.58490 969.88374
4340.0000 -33.54000 -31.23606 2.30393 2.09844 -31.48687 923.88770
4345.0000 -33.60402 -31.34661 2.25741 2.12097 -31.34982 974.21838
4350.0000 -34.00778 -32.32422 1.68356 2.05877 -31.72815 923.22051
4355.0000 -33.62107 -32.00287 1.61820 1.97575 -32.23308 846.24322
4360.0000 -33.96264 -32.12082 1.84182 1.95008 -32.38925 792.67678
4365.0000 -32.56910 -31.11638 1.45271 2.10563 -31.44316 938.28908
4370.0000 -33.09417 -31.98391 1.11026 2.09542 -31.50520 900.58686
4375.0000 -33.33677 -31.57426 1.76251 2.10200 -31.46521 912.87609
4380.0000 -33.79729 -31.90811 1.88918 2.03064 -31.89923 749.28085
4385.0000 -33.78614 -32.05313 1.73300 1.96695 -32.28660 815.96393
4390.0000 -33.96132 -31.28208 2.67924 2.09330 -31.51812 1024.51969
4395.0000 -33.81989 -31.74504 2.07485 2.07431 -31.63364 950.73521
4400.0000 -32.97654 -31.58213 1.39442 2.07238 -31.64539 946.87595
4405.0000 -33.28810 -31.64223 1.64587 2.11878 -31.36314 1017.71941
4410.0000 -33.36420 -31.23728 2.12692 2.10761 -31.43111 983.72368
4415.0000 -33.54254 -31.08698 2.45556 2.15744 -31.12804 1035.88153
4420.0000 -33.81661 -31.97316 1.84345 2.07508 -31.62894 902.15813
4425.0000 -33.78294 -32.24049 1.54246 2.02769 -31.91716 879.55539
4430.0000 -33.53517 -31.57094 1.96422 2.00080 -32.08076 741.54818
4435.0000 -34.10782 -32.21515 1.89266 2.03119 -31.89590 900.72303
4440.0000 -33.43197 -31.95081 1.48117 1.97183 -32.25693 820.96183
4445.0000 -33.13298 -31.47591 1.65708 2.03132 -31.89510 828.06586
4450.0000 -33.58226 -32.26107 1.32119 1.97869 -32.21520 765.05095
4455.0000 -34.11075 -32.50614 1.60461 1.96517 -32.29747 797.94874
4460.0000 -34.37115 -32.29238 2.07877 1.94006 -32.45015 760.96837
4465.0000 -34.08257 -32.79929 1.28328 1.92593 -32.53611 722.79056
4470.0000 -33.60879 -32.10571 1.50308 1.97145 -32.25923 765.04630
4475.0000 -33.87745 -32.22673 1.65072 2.02936 -31.90701 848.95361
4480.0000 -34.09151 -32.18010 1.91141 1.97417 -32.24271 806.84419
4485.0000 -33.44921 -31.61902 1.83019 2.06107 -31.71417 984.02584
4490.0000 -33.59741 -32.35761 1.23980 1.99991 -32.08612 845.49187
4495.0000 -33.72529 -32.06645 1.65884 1.97297 -32.24997 809.30302
4500.0000 -34.01119 -32.42657 1.58462 1.99577 -32.11135 786.25630
FREEZING PROCESS: loop number 19 T-loop= 865.00000000000000
main_MD> interactions number 19 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57291 1.98440 -1.65978
force_rgl> df(natom) -0.00188 -0.82350 1.51715
4505.0000 -33.54569 -31.78698 1.75871 2.01544 -31.99168 814.87476
4510.0000 -33.41666 -31.73387 1.68280 2.12489 -31.32599 882.83178
4515.0000 -32.96937 -31.53576 1.43362 2.10047 -31.47452 885.89683
4520.0000 -32.69668 -31.15932 1.53736 2.18850 -30.93907 1032.23492
4525.0000 -33.12287 -31.24282 1.88005 2.13660 -31.25478 895.05174
4530.0000 -32.63522 -30.97224 1.66298 2.10433 -31.45103 849.42252
4535.0000 -32.86551 -31.02841 1.83710 2.20646 -30.82988 999.50084
4540.0000 -32.49365 -31.16714 1.32651 2.19232 -30.91589 926.51306
4545.0000 -33.15810 -31.80867 1.34943 2.12011 -31.35509 963.74265
4550.0000 -33.59598 -31.94811 1.64787 2.04384 -31.81893 845.94903
4555.0000 -33.74724 -32.53485 1.21239 2.00682 -32.04409 802.62080
4560.0000 -34.30258 -32.98544 1.31714 1.85720 -32.95414 638.06745
4565.0000 -34.54638 -33.14479 1.40159 1.85886 -32.94407 649.17179
4570.0000 -33.99140 -32.56286 1.42853 1.92692 -32.53010 745.57348
4575.0000 -33.15237 -31.57229 1.58008 1.99890 -32.09226 832.86214
4580.0000 -33.38969 -31.90380 1.48589 2.02451 -31.93650 817.72029
4585.0000 -33.56607 -32.00146 1.56461 2.03902 -31.84827 904.33780
4590.0000 -33.64959 -32.09963 1.54996 1.91753 -32.58721 711.75395
4595.0000 -33.89354 -32.00866 1.88489 2.04656 -31.80240 775.70125
4600.0000 -33.70380 -32.28214 1.42167 1.95879 -32.33626 799.79190
4605.0000 -33.87119 -32.08060 1.79060 1.99684 -32.10479 800.68962
4610.0000 -32.90222 -31.68255 1.21967 2.02324 -31.94423 817.64327
4615.0000 -33.92912 -32.27107 1.65804 2.05340 -31.76079 823.10833
4620.0000 -33.78394 -31.78604 1.99790 1.96387 -32.30534 785.03998
4625.0000 -33.55032 -32.68805 0.86227 1.98738 -32.16233 813.32041
4630.0000 -32.88775 -31.16880 1.71895 2.15039 -31.17088 995.77098
4635.0000 -32.55094 -30.79081 1.76013 2.22203 -30.73516 1103.62000
4640.0000 -33.21477 -31.53984 1.67494 2.11208 -31.40392 909.22844
4645.0000 -33.08573 -31.86135 1.22438 2.05929 -31.72495 894.90805
4650.0000 -33.05336 -31.29704 1.75632 2.06661 -31.68049 952.99497
4655.0000 -32.80873 -31.62851 1.18022 2.12366 -31.33345 898.86379
4660.0000 -33.85629 -32.52297 1.33331 2.01987 -31.96474 845.66642
4665.0000 -33.83754 -32.18209 1.65545 2.00012 -32.08488 845.28494
4670.0000 -33.78168 -32.05568 1.72600 1.98596 -32.17097 814.89391
4675.0000 -34.28679 -32.84803 1.43876 1.96685 -32.28720 773.78217
4680.0000 -33.09026 -31.47133 1.61892 1.97388 -32.24449 801.10284
4685.0000 -33.42031 -31.63555 1.78475 2.07648 -31.62042 926.36696
4690.0000 -33.35447 -31.18204 2.17243 2.15465 -31.14500 1035.67384
4695.0000 -33.37878 -31.29562 2.08316 2.11676 -31.37543 1031.10733
4700.0000 -33.83386 -31.99136 1.84250 2.03117 -31.89600 862.75826
4705.0000 -33.84305 -32.27422 1.56883 1.93945 -32.45390 740.24065
4710.0000 -33.82154 -31.86362 1.95792 2.01173 -32.01422 832.17055
4715.0000 -33.81647 -32.36830 1.44817 2.01926 -31.96847 941.22070
4720.0000 -34.23086 -32.51648 1.71438 1.93734 -32.46670 715.73391
4725.0000 -33.51707 -32.14334 1.37373 1.91831 -32.58242 724.08022
4730.0000 -33.98809 -31.96754 2.02055 2.01361 -32.00282 891.53121
4735.0000 -33.07075 -31.66911 1.40164 2.05846 -31.73002 850.03397
4740.0000 -33.77660 -32.11636 1.66024 2.03630 -31.86479 838.02232
4745.0000 -33.30235 -32.32502 0.97733 1.99639 -32.10757 792.84118
4750.0000 -33.32274 -31.71704 1.60570 1.96633 -32.29039 663.91362
FREEZING PROCESS: loop number 20 T-loop= 840.00000000000000
main_MD> interactions number 20 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53774 -1.50941 2.53733
force_rgl> df(natom) 2.60638 3.20479 0.82655
4755.0000 -33.08734 -31.31446 1.77288 2.03153 -31.89382 897.04275
4760.0000 -33.22086 -31.42386 1.79700 2.15250 -31.15808 929.37555
4765.0000 -32.15835 -30.83063 1.32772 2.13834 -31.24415 887.11428
4770.0000 -33.62410 -31.80568 1.81842 2.13471 -31.26627 910.39556
4775.0000 -33.91317 -32.36092 1.55225 1.99388 -32.12280 812.21406
4780.0000 -33.76789 -31.95794 1.80995 2.00141 -32.07702 834.99440
4785.0000 -33.59717 -31.74928 1.84789 2.01684 -31.98319 875.83147
4790.0000 -33.78229 -31.63475 2.14755 2.02860 -31.91168 888.42375
4795.0000 -33.37962 -31.96686 1.41277 2.02341 -31.94320 916.02422
4800.0000 -34.20822 -32.39177 1.81646 1.94252 -32.43522 756.45272
4805.0000 -33.66254 -31.88873 1.77381 1.95862 -32.33727 789.86347
4810.0000 -33.63443 -32.00613 1.62830 2.05404 -31.75694 857.38892
4815.0000 -33.44964 -32.14048 1.30916 2.04169 -31.83200 821.82227
4820.0000 -33.36498 -31.69383 1.67115 2.07159 -31.65017 835.52188
4825.0000 -32.71110 -31.41262 1.29848 2.06934 -31.66388 792.62213
4830.0000 -33.42586 -31.16415 2.26172 2.12631 -31.31733 942.30130
4835.0000 -33.31888 -31.18746 2.13142 2.09348 -31.51701 921.06085
4840.0000 -33.26078 -31.40046 1.86032 2.12970 -31.29672 936.84901
4845.0000 -32.42623 -29.93975 2.48648 2.20702 -30.82648 996.30780
4850.0000 -33.25233 -31.22191 2.03042 2.18340 -30.97011 987.00840
4855.0000 -32.42677 -30.54396 1.88281 2.19561 -30.89588 1021.04808
4860.0000 -31.84866 -29.80233 2.04634 2.29503 -30.29119 1078.22284
4865.0000 -33.49727 -31.11982 2.37744 2.25689 -30.52316 1054.03763
4870.0000 -34.04662 -32.73554 1.31108 2.02211 -31.95113 865.00866
4875.0000 -34.47927 -32.95764 1.52164 1.87463 -32.84812 661.52374
4880.0000 -33.93885 -32.71129 1.22756 1.90674 -32.65281 736.88671
4885.0000 -33.80132 -32.17531 1.62601 1.93088 -32.50599 780.78858
4890.0000 -34.10937 -31.83311 2.27626 2.04408 -31.81750 898.85543
4895.0000 -33.68863 -32.30585 1.38278 2.03774 -31.85606 878.72283
4900.0000 -33.58215 -31.56458 2.01757 2.00850 -32.03391 866.78939
4905.0000 -33.57025 -32.84572 0.72453 2.00278 -32.06866 886.67606
4910.0000 -34.09708 -32.19298 1.90410 1.90713 -32.65044 729.30503
4915.0000 -33.88300 -32.57359 1.30941 1.92851 -32.52041 761.23866
4920.0000 -33.95571 -32.08328 1.87244 1.99455 -32.11876 851.61083
4925.0000 -33.55672 -31.89332 1.66340 2.01447 -31.99759 787.09287
4930.0000 -33.60678 -32.32371 1.28308 2.00107 -32.07907 821.56612
4935.0000 -33.88709 -33.03589 0.85120 1.97186 -32.25674 802.00569
4940.0000 -34.04824 -32.44721 1.60103 1.85655 -32.95808 667.28906
4945.0000 -33.78598 -31.95681 1.82917 1.98269 -32.19087 855.29774
4950.0000 -33.55092 -31.78822 1.76271 2.00899 -32.03090 837.02243
4955.0000 -33.86043 -31.89810 1.96233 1.99873 -32.09329 839.69141
4960.0000 -34.04477 -32.44534 1.59943 1.99298 -32.12829 873.56474
4965.0000 -33.70026 -32.49207 1.20819 1.91294 -32.61509 751.21830
4970.0000 -33.89042 -32.87761 1.01282 1.91566 -32.59858 789.41642
4975.0000 -34.40402 -32.91628 1.48774 1.81669 -33.20054 595.74368
4980.0000 -33.95145 -31.92957 2.02189 1.94741 -32.40547 746.00201
4985.0000 -33.14595 -31.59465 1.55131 2.04511 -31.81126 944.65861
4990.0000 -32.87750 -31.49091 1.38659 2.04280 -31.82525 880.03541
4995.0000 -32.67141 -30.42720 2.24421 2.25952 -30.50713 1169.55701
5000.0000 -33.08277 -31.28286 1.79991 2.18726 -30.94663 937.62255
FREEZING PROCESS: loop number 21 T-loop= 815.00000000000000
main_MD> interactions number 21 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31518 -2.47264 2.89701
force_rgl> df(natom) 1.61338 -1.21412 0.28598
5005.0000 -33.60347 -32.09946 1.50401 2.09266 -31.52203 804.86245
5010.0000 -33.48012 -31.37610 2.10402 2.05058 -31.77797 902.39505
5015.0000 -33.18296 -31.89784 1.28512 2.09674 -31.49720 964.11679
5020.0000 -33.22302 -31.16747 2.05555 2.07439 -31.63314 917.33185
5025.0000 -33.77601 -31.85828 1.91772 2.12431 -31.32952 968.40864
5030.0000 -33.50179 -31.74569 1.75610 2.05619 -31.74382 931.65629
5035.0000 -33.97440 -32.20025 1.77415 2.02312 -31.94501 875.05630
5040.0000 -34.03611 -32.57928 1.45683 1.90446 -32.66667 703.93258
5045.0000 -33.59658 -31.81520 1.78138 1.94794 -32.40226 774.28551
5050.0000 -33.98356 -32.65329 1.33027 2.01785 -31.97700 873.37713
5055.0000 -33.64052 -31.76342 1.87710 2.02904 -31.90896 911.93934
5060.0000 -34.46291 -32.57571 1.88721 2.01253 -32.00937 857.19904
5065.0000 -33.68305 -31.87363 1.80942 1.98395 -32.18324 800.28048
5070.0000 -33.42986 -32.35297 1.07688 1.98977 -32.14783 755.19886
5075.0000 -33.98292 -32.80350 1.17941 1.94685 -32.40886 689.12039
5080.0000 -34.10468 -31.95944 2.14524 1.98740 -32.16225 812.35827
5085.0000 -33.96831 -32.29780 1.67050 1.99097 -32.14054 859.87956
5090.0000 -33.68126 -32.47131 1.20995 1.96398 -32.30465 821.61481
5095.0000 -33.74497 -32.39758 1.34739 1.92526 -32.54018 694.78450
5100.0000 -33.62189 -31.97052 1.65137 2.03306 -31.88451 858.67683
5105.0000 -34.45484 -32.21991 2.23494 2.04192 -31.83064 872.27906
5110.0000 -33.87086 -31.96196 1.90890 1.98746 -32.16185 871.95146
5115.0000 -33.87519 -32.33117 1.54402 2.01199 -32.01264 808.15542
5120.0000 -34.11238 -32.98297 1.12941 1.87054 -32.87298 650.60403
5125.0000 -33.72235 -32.43081 1.29154 1.91570 -32.59831 718.44477
5130.0000 -34.27508 -32.51989 1.75519 1.92426 -32.54627 725.10923
5135.0000 -34.46881 -33.07366 1.39515 1.82997 -33.11974 617.21773
5140.0000 -34.06182 -32.29712 1.76469 1.91917 -32.57724 785.35706
5145.0000 -33.55468 -32.54991 1.00477 1.94351 -32.42918 793.52374
5150.0000 -34.08443 -32.11283 1.97159 2.01742 -31.97963 880.96487
5155.0000 -33.84264 -32.36496 1.47768 1.98478 -32.17814 812.85866
5160.0000 -33.48862 -32.34876 1.13986 2.00005 -32.08527 765.54023
5165.0000 -33.37151 -31.97728 1.39423 1.95339 -32.36912 761.34722
5170.0000 -32.58041 -31.05116 1.52926 2.04055 -31.83896 870.11864
5175.0000 -33.61556 -31.76130 1.85426 2.18454 -30.96321 976.68284
5180.0000 -33.55459 -31.40442 2.15017 2.04054 -31.83903 871.77562
5185.0000 -32.40570 -30.66229 1.74341 2.09117 -31.53106 837.53336
5190.0000 -33.68079 -31.32170 2.35909 2.17480 -31.02243 1026.10283
5195.0000 -33.20687 -31.89466 1.31221 2.07706 -31.61689 918.80055
5200.0000 -33.83309 -32.03062 1.80248 2.00810 -32.03634 812.64518
5205.0000 -33.56179 -32.03813 1.52367 1.95235 -32.37540 758.54172
5210.0000 -34.12317 -31.93134 2.19183 2.02354 -31.94241 890.94813
5215.0000 -33.46881 -31.99583 1.47299 2.00900 -32.03085 932.28401
5220.0000 -33.99819 -32.90687 1.09132 1.92989 -32.51200 705.98663
5225.0000 -33.65834 -32.38034 1.27800 1.90178 -32.68298 667.15561
5230.0000 -34.43315 -33.01080 1.42235 1.89900 -32.69988 660.31086
5235.0000 -34.33818 -33.23524 1.10294 1.81496 -33.21106 581.96349
5240.0000 -33.25184 -31.74670 1.50515 1.93223 -32.49776 735.38674
5245.0000 -33.41176 -32.00088 1.41088 2.05103 -31.77525 848.98517
5250.0000 -33.75510 -32.48129 1.27381 1.97400 -32.24371 827.63675
FREEZING PROCESS: loop number 22 T-loop= 790.00000000000000
main_MD> interactions number 22 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15587 -1.86265 -3.26939
force_rgl> df(natom) 0.83965 -2.97504 -1.50843
5255.0000 -34.28630 -32.94865 1.33764 1.89801 -32.70594 680.15195
5260.0000 -34.19544 -33.01427 1.18118 1.85955 -32.93983 650.13191
5265.0000 -34.17878 -32.82815 1.35063 1.87355 -32.85471 685.25405
5270.0000 -33.70834 -32.38358 1.32476 1.86437 -32.91053 577.54757
5275.0000 -34.19612 -32.55320 1.64292 1.96175 -32.31825 718.38819
5280.0000 -34.18872 -33.09279 1.09593 1.89977 -32.69523 715.31410
5285.0000 -34.35915 -33.55812 0.80102 1.76810 -33.49605 515.69405
5290.0000 -34.31152 -33.32212 0.98941 1.76512 -33.51417 519.38131
5295.0000 -34.09088 -32.91564 1.17524 1.83632 -33.08112 650.01968
5300.0000 -33.93152 -32.09008 1.84144 1.97835 -32.21729 728.82581
5305.0000 -34.21687 -32.73271 1.48416 1.97602 -32.23143 770.80104
5310.0000 -33.98512 -32.44039 1.54473 1.92546 -32.53898 658.91174
5315.0000 -34.20450 -31.66183 2.54268 1.95229 -32.37577 773.50581
5320.0000 -34.31099 -32.37164 1.93935 2.00538 -32.05287 821.45567
5325.0000 -34.10194 -32.89486 1.20707 1.92632 -32.53376 720.69387
5330.0000 -34.00312 -32.81857 1.18455 1.85773 -32.95089 650.12997
5335.0000 -34.29184 -32.61595 1.67589 1.94663 -32.41022 783.58340
5340.0000 -34.06537 -32.67808 1.38729 1.89394 -32.73067 696.90699
5345.0000 -33.76094 -33.00212 0.75883 1.87204 -32.86385 643.99839
5350.0000 -34.04722 -32.29055 1.75667 1.87494 -32.84626 657.21862
5355.0000 -34.06180 -32.12919 1.93260 1.93785 -32.46359 774.17202
5360.0000 -33.55164 -31.87981 1.67182 2.05152 -31.77226 902.78153
5365.0000 -33.96886 -32.64953 1.31932 1.95333 -32.36944 758.92323
5370.0000 -34.02370 -32.85306 1.17064 1.95032 -32.38775 750.92220
5375.0000 -34.24986 -32.73730 1.51256 1.93788 -32.46340 752.99299
5380.0000 -33.56189 -32.40827 1.15361 1.90307 -32.67514 743.08786
5385.0000 -34.22533 -32.86126 1.36407 1.89431 -32.72841 703.90167
5390.0000 -34.11638 -32.74577 1.37061 1.83237 -33.10513 614.79472
5395.0000 -33.31840 -32.26039 1.05801 1.91468 -32.60453 762.08752
5400.0000 -34.29226 -32.48062 1.81164 1.94050 -32.44749 768.92808
5405.0000 -34.04099 -32.62783 1.41317 1.92658 -32.53217 685.21540
5410.0000 -34.34430 -32.68032 1.66397 1.90359 -32.67198 700.57291
5415.0000 -33.84039 -31.94989 1.89050 1.99483 -32.11705 808.71597
5420.0000 -34.01904 -32.48345 1.53560 1.95082 -32.38474 762.04305
5425.0000 -33.47360 -32.15973 1.31386 1.91581 -32.59766 750.06750
5430.0000 -34.07294 -31.94244 2.13050 1.94345 -32.42952 746.56992
5435.0000 -33.54283 -31.70436 1.83848 2.02808 -31.91483 797.73036
5440.0000 -33.47953 -31.96883 1.51070 2.07514 -31.62856 944.49519
5445.0000 -34.28505 -32.63487 1.65018 1.89064 -32.75076 713.80195
5450.0000 -34.13416 -32.64989 1.48428 1.91675 -32.59192 712.67193
5455.0000 -34.67668 -32.29765 2.37903 1.93085 -32.50621 775.56103
5460.0000 -33.48934 -31.98382 1.50552 1.97942 -32.21077 841.39468
5465.0000 -33.94537 -32.24386 1.70151 1.95507 -32.35885 772.02543
5470.0000 -34.02729 -32.93604 1.09125 1.85393 -32.97400 641.94478
5475.0000 -33.09634 -31.41376 1.68257 2.01154 -32.01541 839.28137
5480.0000 -33.52369 -31.39548 2.12821 2.12833 -31.30505 937.22892
5485.0000 -33.26208 -31.56424 1.69784 2.09099 -31.53219 918.36298
5490.0000 -33.63972 -32.16195 1.47777 2.01798 -31.97623 811.69156
5495.0000 -33.98443 -32.33090 1.65353 1.98297 -32.18917 784.04990
5500.0000 -33.58115 -31.52933 2.05182 2.02264 -31.94787 861.27682
FREEZING PROCESS: loop number 23 T-loop= 765.00000000000000
main_MD> interactions number 23 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.50654 -0.27991 -0.82869
force_rgl> df(natom) 1.28191 -1.73898 -0.68086
5505.0000 -34.17311 -32.44755 1.72556 2.00607 -32.04870 756.89957
5510.0000 -33.66001 -31.91085 1.74917 1.94261 -32.43468 757.28683
5515.0000 -33.95989 -31.88076 2.07913 2.03919 -31.84720 893.59938
5520.0000 -33.88075 -31.81530 2.06546 2.04535 -31.80978 882.87942
5525.0000 -33.89384 -31.91144 1.98241 2.05846 -31.73001 893.72574
5530.0000 -33.78382 -32.41046 1.37336 2.03033 -31.90113 851.80489
5535.0000 -34.20556 -32.59247 1.61309 1.94357 -32.42879 764.39375
5540.0000 -33.46325 -31.98431 1.47894 1.95546 -32.35647 792.88522
5545.0000 -34.26189 -32.08588 2.17601 2.01127 -32.01706 865.08305
5550.0000 -33.92275 -32.64902 1.27373 1.89966 -32.69586 744.33767
5555.0000 -34.00752 -32.66596 1.34156 1.92775 -32.52504 788.90046
5560.0000 -34.00273 -32.73969 1.26303 1.91263 -32.61699 721.36387
5565.0000 -33.73582 -32.36354 1.37228 1.96307 -32.31021 772.18577
5570.0000 -33.73077 -32.05862 1.67216 1.99905 -32.09140 829.69466
5575.0000 -34.30986 -33.10300 1.20686 1.90519 -32.66223 696.13461
5580.0000 -33.84780 -32.28045 1.56736 1.94690 -32.40857 803.03837
5585.0000 -33.53662 -32.07345 1.46317 1.99708 -32.10336 777.72158
5590.0000 -34.41139 -33.38512 1.02627 1.90870 -32.64092 727.69607
5595.0000 -33.85223 -32.10327 1.74895 1.90479 -32.66466 746.76215
5600.0000 -34.40421 -32.43648 1.96773 1.92129 -32.56435 766.23099
5605.0000 -34.31608 -32.85938 1.45670 1.90430 -32.66766 720.50257
5610.0000 -34.00683 -32.94321 1.06361 1.93819 -32.46151 758.39036
5615.0000 -34.44115 -33.13654 1.30461 1.83426 -33.09367 637.03707
5620.0000 -34.24472 -33.10134 1.14337 1.86118 -32.92991 645.74082
5625.0000 -33.67472 -32.85327 0.82145 1.93832 -32.46077 756.34516
5630.0000 -33.88890 -32.68745 1.20145 1.90703 -32.65107 701.29261
5635.0000 -33.64489 -31.20637 2.43852 1.95565 -32.35537 805.62693
5640.0000 -33.75658 -31.61713 2.13945 2.10223 -31.46379 933.39017
5645.0000 -33.94633 -32.84576 1.10058 1.99027 -32.14476 829.20269
5650.0000 -34.18265 -32.95002 1.23263 1.87641 -32.83729 673.64434
5655.0000 -34.41462 -33.44879 0.96583 1.83784 -33.07188 638.18591
5660.0000 -34.11045 -32.71531 1.39515 1.87751 -32.83058 652.09011
5665.0000 -33.81740 -32.36033 1.45707 1.90406 -32.66912 693.71449
5670.0000 -33.95098 -32.83202 1.11896 1.92738 -32.52731 700.82876
5675.0000 -34.15451 -32.25998 1.89454 1.93821 -32.46142 715.52916
5680.0000 -33.02049 -31.22267 1.79783 2.04679 -31.80101 888.28482
5685.0000 -33.65350 -32.22471 1.42879 2.05120 -31.77417 816.24810
5690.0000 -33.76493 -32.78054 0.98440 1.91018 -32.63191 719.80436
5695.0000 -34.17572 -33.12656 1.04916 1.86057 -32.93362 673.04505
5700.0000 -34.81124 -33.27501 1.53622 1.84701 -33.01613 642.97776
5705.0000 -34.02281 -32.49027 1.53253 1.86804 -32.88820 685.76931
5710.0000 -33.10101 -31.46287 1.63814 2.03878 -31.84971 827.85577
5715.0000 -33.05359 -31.56848 1.48511 2.04662 -31.80203 780.13896
5720.0000 -32.77370 -30.34622 2.42748 2.19895 -30.87553 1008.51825
5725.0000 -33.85769 -32.27272 1.58496 2.09291 -31.52052 984.91000
5730.0000 -33.40485 -32.30002 1.10483 1.94908 -32.39529 672.50343
5735.0000 -34.16107 -32.54697 1.61411 1.93180 -32.50041 670.90135
5740.0000 -33.77334 -32.00893 1.76441 1.92219 -32.55883 706.67180
5745.0000 -33.77746 -31.95227 1.82519 1.99464 -32.11820 794.37377
5750.0000 -33.31902 -32.60385 0.71517 1.94578 -32.41536 786.83108
FREEZING PROCESS: loop number 24 T-loop= 740.00000000000000
main_MD> interactions number 24 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77455 -1.55931 -0.96815
force_rgl> df(natom) -1.96890 -1.99940 3.30602
5755.0000 -34.19308 -33.10379 1.08929 1.87967 -32.81744 641.19663
5760.0000 -33.66996 -32.40199 1.26797 1.89425 -32.72880 658.32224
5765.0000 -34.04033 -32.62606 1.41426 1.90399 -32.66955 702.17950
5770.0000 -34.30344 -33.17086 1.13258 1.90389 -32.67013 725.48638
5775.0000 -34.09623 -33.11157 0.98466 1.84209 -33.04604 611.93428
5780.0000 -34.62720 -33.21539 1.41180 1.81683 -33.19966 600.00405
5785.0000 -34.26677 -33.14792 1.11886 1.84706 -33.01583 648.18065
5790.0000 -33.90743 -32.29706 1.61037 1.90257 -32.67819 708.66302
5795.0000 -33.58031 -32.45682 1.12348 1.94071 -32.44624 774.74536
5800.0000 -33.99335 -32.41066 1.58269 1.98161 -32.19745 814.88918
5805.0000 -34.38161 -32.60643 1.77518 1.91511 -32.60194 716.29460
5810.0000 -33.85100 -32.81065 1.04035 1.98035 -32.20509 789.76516
5815.0000 -34.15841 -32.75588 1.40253 1.86175 -32.92647 675.09059
5820.0000 -33.46641 -32.74753 0.71888 1.91935 -32.57614 729.42657
5825.0000 -33.71398 -31.66624 2.04775 1.99331 -32.12628 878.73053
5830.0000 -33.70285 -31.90612 1.79673 2.07308 -31.64108 944.38457
5835.0000 -34.12230 -32.09474 2.02756 2.02361 -31.94198 832.13905
5840.0000 -34.15140 -33.02204 1.12936 1.96489 -32.29915 778.15567
5845.0000 -33.75606 -32.34576 1.41030 1.93607 -32.47446 707.50027
5850.0000 -34.24591 -32.93852 1.30739 1.93243 -32.49656 724.40902
5855.0000 -34.29343 -33.30157 0.99185 1.83581 -33.08424 605.55278
5860.0000 -34.70756 -33.31376 1.39380 1.81074 -33.23672 591.43441
5865.0000 -34.12733 -32.94881 1.17852 1.78707 -33.38071 534.08653
5870.0000 -34.10698 -32.91458 1.19240 1.86048 -32.93421 647.69003
5875.0000 -33.83526 -32.31471 1.52055 1.90955 -32.63573 726.73969
5880.0000 -33.98287 -32.90590 1.07697 1.97082 -32.26307 810.24478
5885.0000 -34.54183 -33.36746 1.17437 1.80709 -33.25893 569.92037
5890.0000 -34.29072 -33.00683 1.28389 1.89083 -32.74961 728.29842
5895.0000 -33.87002 -33.04640 0.82362 1.87136 -32.86799 661.24414
5900.0000 -34.33775 -33.34561 0.99214 1.89430 -32.72849 717.00203
5905.0000 -34.10623 -32.93811 1.16812 1.88333 -32.79519 643.61386
5910.0000 -34.01416 -32.95171 1.06246 1.90599 -32.65735 714.25744
5915.0000 -34.14256 -32.65484 1.48772 1.87654 -32.83650 681.33155
5920.0000 -34.32367 -32.95745 1.36622 1.84566 -33.02435 642.79516
5925.0000 -34.20260 -32.51463 1.68797 1.90965 -32.63514 752.41715
5930.0000 -34.13841 -32.43242 1.70599 1.97124 -32.26050 863.67029
5935.0000 -33.43605 -31.92103 1.51502 1.98392 -32.18342 698.23824
5940.0000 -34.23726 -32.40234 1.83492 1.94558 -32.41659 743.95199
5945.0000 -34.14640 -32.05371 2.09270 1.93878 -32.45794 758.05428
5950.0000 -33.88430 -32.68275 1.20155 1.98217 -32.19404 808.18848
5955.0000 -34.26209 -32.73366 1.52843 1.91675 -32.59195 733.27076
5960.0000 -34.54296 -33.20189 1.34107 1.86852 -32.88531 604.17670
5965.0000 -34.33196 -33.02276 1.30920 1.84566 -33.02431 693.15220
5970.0000 -33.35966 -32.06473 1.29492 1.97757 -32.22203 721.65051
5975.0000 -33.89989 -32.52389 1.37601 1.95614 -32.35237 704.57573
5980.0000 -34.30995 -33.16864 1.14131 1.89492 -32.72474 704.18534
5985.0000 -34.00381 -32.92413 1.07968 1.83518 -33.08807 650.10680
5990.0000 -33.69537 -32.57027 1.12510 1.92383 -32.54888 708.69104
5995.0000 -34.22381 -33.20337 1.02044 1.90505 -32.66312 721.03114
6000.0000 -33.92495 -32.55384 1.37111 1.85437 -32.97136 639.05316
FREEZING PROCESS: loop number 25 T-loop= 715.00000000000000
main_MD> interactions number 25 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53219 0.78964 0.31294
force_rgl> df(natom) -3.25732 1.21715 -3.23410
6005.0000 -33.81619 -31.86614 1.95005 1.98330 -32.18719 818.09723
6010.0000 -34.39862 -32.82637 1.57225 1.97527 -32.23602 866.00434
6015.0000 -33.92853 -32.66470 1.26382 1.88162 -32.80558 715.09610
6020.0000 -33.97744 -32.84969 1.12775 1.89232 -32.74054 691.16887
6025.0000 -33.95852 -32.49174 1.46679 1.84569 -33.02412 632.33970
6030.0000 -33.58096 -31.84330 1.73765 1.98126 -32.19956 841.85636
6035.0000 -33.88972 -32.38480 1.50492 1.96145 -32.32005 847.63720
6040.0000 -33.46806 -32.57125 0.89681 1.93941 -32.45409 712.12699
6045.0000 -33.75514 -32.32045 1.43468 1.90592 -32.65779 689.72729
6050.0000 -33.63118 -32.37550 1.25568 1.92678 -32.53095 776.04582
6055.0000 -34.51167 -33.44905 1.06262 1.86994 -32.87662 673.65819
6060.0000 -34.18434 -33.20222 0.98212 1.81382 -33.21801 608.50995
6065.0000 -33.96806 -32.52039 1.44767 1.88457 -32.78766 663.18527
6070.0000 -34.09421 -32.74136 1.35284 1.94139 -32.44205 706.19417
6075.0000 -34.16692 -33.06843 1.09848 1.86622 -32.89928 649.11559
6080.0000 -34.08301 -32.78434 1.29867 1.85429 -32.97184 651.16206
6085.0000 -34.11674 -32.44385 1.67289 1.95100 -32.38359 781.97078
6090.0000 -33.50951 -32.14873 1.36078 1.94035 -32.44843 731.27495
6095.0000 -33.76794 -32.64362 1.12432 1.93555 -32.47760 748.20421
6100.0000 -33.55944 -31.90850 1.65094 1.94804 -32.40166 763.01944
6105.0000 -33.69799 -32.45704 1.24095 2.06866 -31.66798 898.02374
6110.0000 -34.21956 -32.75992 1.45964 1.97071 -32.26375 822.24459
6115.0000 -33.20423 -32.14459 1.05965 1.95911 -32.33433 788.88316
6120.0000 -34.05535 -32.66030 1.39505 1.92540 -32.53936 753.50625
6125.0000 -33.76297 -32.55204 1.21093 1.88184 -32.80426 723.48682
6130.0000 -34.13794 -33.06262 1.07532 1.86762 -32.89074 665.45684
6135.0000 -33.68612 -32.26953 1.41658 1.83326 -33.09975 627.19138
6140.0000 -33.94440 -32.98998 0.95442 1.95751 -32.34406 782.25904
6145.0000 -33.34640 -32.09970 1.24670 1.94307 -32.43185 785.90371
6150.0000 -33.92422 -32.78620 1.13803 1.90310 -32.67497 681.07456
6155.0000 -33.99378 -32.65119 1.34259 1.85863 -32.94546 649.45416
6160.0000 -34.06751 -32.73738 1.33013 1.88937 -32.75846 688.52620
6165.0000 -34.07617 -32.83671 1.23946 1.82279 -33.16343 605.12685
6170.0000 -33.16475 -32.42778 0.73698 1.90974 -32.63459 695.80088
6175.0000 -33.83995 -32.71960 1.12036 1.92521 -32.54051 730.54002
6180.0000 -33.65214 -31.95069 1.70145 1.94921 -32.39454 730.92051
6185.0000 -33.44142 -32.29533 1.14609 1.98547 -32.17397 739.74639
6190.0000 -34.34010 -33.00715 1.33296 1.92416 -32.54689 751.91831
6195.0000 -34.35128 -33.07900 1.27228 1.84845 -33.00734 651.83602
6200.0000 -34.01294 -32.13501 1.87792 1.89015 -32.75372 703.02363
6205.0000 -34.27601 -32.99737 1.27864 1.87769 -32.82949 681.47399
6210.0000 -33.65666 -32.42992 1.22674 1.87923 -32.82014 686.53501
6215.0000 -34.18925 -32.88056 1.30869 1.93191 -32.49972 722.09597
6220.0000 -34.14539 -32.32309 1.82230 1.92169 -32.56191 724.63115
6225.0000 -34.54182 -32.47561 2.06621 1.98144 -32.19850 863.12177
6230.0000 -34.40205 -32.60996 1.79210 1.89779 -32.70724 695.45462
6235.0000 -34.30526 -33.40212 0.90314 1.81892 -33.18693 585.91200
6240.0000 -34.38606 -32.81480 1.57126 1.81321 -33.22170 607.49247
6245.0000 -34.25343 -32.99710 1.25633 1.86175 -32.92647 678.82893
6250.0000 -34.16070 -32.58447 1.57623 1.86811 -32.88779 714.28281
FREEZING PROCESS: loop number 26 T-loop= 690.00000000000000
main_MD> interactions number 26 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43057 -0.30529 0.28106
force_rgl> df(natom) -2.46005 -1.06412 -1.65046
6255.0000 -34.14743 -32.66932 1.47811 1.85009 -32.99740 652.41790
6260.0000 -33.48236 -32.38092 1.10144 1.88115 -32.80850 658.51033
6265.0000 -33.57212 -32.21916 1.35297 1.93313 -32.49229 729.75815
6270.0000 -33.88149 -31.77486 2.10663 2.06179 -31.70978 887.75641
6275.0000 -33.58948 -31.84653 1.74295 2.06626 -31.68258 861.65679
6280.0000 -33.56138 -31.91281 1.64857 2.04300 -31.82405 895.81260
6285.0000 -34.26596 -32.26495 2.00101 1.95061 -32.38602 799.12391
6290.0000 -34.30464 -32.85256 1.45207 1.84972 -32.99962 669.33510
6295.0000 -34.15366 -32.93312 1.22054 1.84521 -33.02707 642.45664
6300.0000 -33.60018 -32.61366 0.98652 1.91748 -32.58750 657.26527
6305.0000 -33.16000 -31.76026 1.39974 1.99576 -32.11140 699.04539
6310.0000 -34.37290 -33.00542 1.36747 1.92003 -32.57199 705.01071
6315.0000 -33.87885 -32.71384 1.16501 1.82924 -33.12419 586.99718
6320.0000 -33.96049 -32.64057 1.31992 1.93150 -32.50224 636.46311
6325.0000 -33.96886 -32.61863 1.35023 1.90241 -32.67917 652.27385
6330.0000 -33.96108 -32.95360 1.00749 1.90489 -32.66406 661.80193
6335.0000 -34.49174 -33.54513 0.94662 1.83856 -33.06749 635.17681
6340.0000 -34.10519 -32.69802 1.40717 1.83989 -33.05940 638.89182
6345.0000 -34.03418 -32.34601 1.68817 1.90545 -32.66065 722.12074
6350.0000 -34.17390 -32.56653 1.60737 1.90957 -32.63560 741.68986
6355.0000 -34.47029 -32.97104 1.49925 1.87451 -32.84883 699.75110
6360.0000 -34.01372 -32.76110 1.25262 1.83841 -33.06844 594.44819
6365.0000 -33.88195 -32.75944 1.12252 1.91616 -32.59550 768.73378
6370.0000 -34.31137 -33.15523 1.15614 1.85357 -32.97619 610.52438
6375.0000 -34.28634 -33.04316 1.24317 1.84984 -32.99893 656.47459
6380.0000 -34.20720 -32.51560 1.69160 1.86534 -32.90464 660.53160
6385.0000 -34.69956 -33.17703 1.52252 1.87186 -32.86499 667.13886
6390.0000 -34.38040 -33.22912 1.15128 1.84047 -33.05590 644.04251
6395.0000 -34.53589 -33.36389 1.17200 1.82724 -33.13635 604.14710
6400.0000 -34.17964 -32.86005 1.31959 1.82101 -33.17423 589.64448
6405.0000 -34.48623 -33.22587 1.26036 1.89387 -32.73108 698.93394
6410.0000 -34.24332 -32.77402 1.46930 1.89488 -32.72498 701.26700
6415.0000 -33.37808 -32.31505 1.06303 1.95222 -32.37620 774.71641
6420.0000 -34.16009 -32.82540 1.33469 1.95363 -32.36764 782.09588
6425.0000 -34.18999 -33.03604 1.15395 1.86003 -32.93694 717.02444
6430.0000 -34.55313 -33.64220 0.91093 1.78943 -33.36632 555.46309
6435.0000 -34.18873 -33.09568 1.09305 1.78826 -33.37342 526.92493
6440.0000 -33.40754 -31.73497 1.67257 1.88609 -32.77845 683.88809
6445.0000 -33.86959 -32.17510 1.69449 1.99492 -32.11650 752.17338
6450.0000 -34.34488 -32.51685 1.82803 1.98254 -32.19180 874.89533
6455.0000 -34.33655 -32.54827 1.78829 1.88989 -32.75533 717.59392
6460.0000 -32.97996 -32.34835 0.63161 1.93391 -32.48757 730.25054
6465.0000 -34.03620 -32.73630 1.29990 1.90047 -32.69096 648.96291
6470.0000 -34.09370 -33.13305 0.96065 1.86727 -32.89291 658.47262
6475.0000 -34.27943 -32.55530 1.72413 1.89201 -32.74241 733.96579
6480.0000 -34.12762 -32.53383 1.59379 1.90917 -32.63805 681.40493
6485.0000 -33.67264 -32.36144 1.31120 1.87150 -32.86714 670.45208
6490.0000 -33.51359 -31.92252 1.59108 1.95158 -32.38010 790.10375
6495.0000 -33.82036 -32.38108 1.43927 1.98363 -32.18515 772.24848
6500.0000 -33.84296 -32.42517 1.41780 1.94079 -32.44569 760.01700
FREEZING PROCESS: loop number 27 T-loop= 665.00000000000000
main_MD> interactions number 27 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33628 -2.70437 1.41214
force_rgl> df(natom) -0.61088 1.66120 -0.91564
6505.0000 -33.62989 -32.29269 1.33720 1.99422 -32.12073 724.07422
6510.0000 -33.61783 -32.01605 1.60179 1.91061 -32.62926 735.77152
6515.0000 -34.24375 -32.46590 1.77785 1.98263 -32.19124 825.96729
6520.0000 -34.55420 -33.32003 1.23417 1.85656 -32.95804 634.71329
6525.0000 -34.11144 -32.65958 1.45186 1.82799 -33.13179 599.38794
6530.0000 -33.87146 -32.93903 0.93243 1.86782 -32.88957 682.79061
6535.0000 -34.25792 -33.05287 1.20505 1.84332 -33.03854 608.84968
6540.0000 -34.46061 -33.54914 0.91147 1.81941 -33.18397 608.12316
6545.0000 -34.70052 -33.55871 1.14181 1.77618 -33.44690 535.90443
6550.0000 -34.42941 -33.21506 1.21435 1.79695 -33.32060 571.09888
6555.0000 -34.19458 -32.91996 1.27462 1.84395 -33.03475 663.79727
6560.0000 -33.97447 -33.16446 0.81001 1.82259 -33.16466 599.38599
6565.0000 -34.12180 -33.27366 0.84814 1.81786 -33.19338 576.47131
6570.0000 -33.68691 -32.74401 0.94291 1.86734 -32.89249 638.41082
6575.0000 -33.25225 -32.18305 1.06920 1.97407 -32.24334 747.80049
6580.0000 -34.10288 -32.65737 1.44552 1.96644 -32.28970 716.01986
6585.0000 -33.79209 -33.04468 0.74741 1.90972 -32.63472 731.38838
6590.0000 -34.00600 -32.59291 1.41309 1.87187 -32.86490 671.59967
6595.0000 -34.63028 -33.62052 1.00977 1.85888 -32.94391 664.76208
6600.0000 -34.30686 -33.45243 0.85442 1.76848 -33.49374 516.60568
6605.0000 -34.39051 -33.10549 1.28502 1.82939 -33.12328 593.25425
6610.0000 -34.34750 -32.64595 1.70155 1.89640 -32.71574 691.32374
6615.0000 -34.23493 -33.10984 1.12509 1.87876 -32.82302 686.45369
6620.0000 -33.80915 -32.62346 1.18569 1.86645 -32.89787 643.27553
6625.0000 -34.32564 -33.30341 1.02222 1.81725 -33.19713 590.01206
6630.0000 -34.11185 -33.30166 0.81019 1.82048 -33.17747 579.11756
6635.0000 -34.45012 -33.29861 1.15151 1.81181 -33.23022 579.42431
6640.0000 -34.46637 -33.59213 0.87424 1.78855 -33.37167 562.27211
6645.0000 -33.84727 -32.46478 1.38248 1.85297 -32.97985 623.40140
6650.0000 -34.68006 -32.71938 1.96068 1.92247 -32.55713 674.52271
6655.0000 -34.14659 -33.06746 1.07913 1.87275 -32.85959 687.91362
6660.0000 -34.19285 -33.22097 0.97188 1.87031 -32.87443 640.88734
6665.0000 -33.76137 -32.54546 1.21591 1.85330 -32.97783 620.03404
6670.0000 -34.57102 -33.51560 1.05541 1.80147 -33.29312 598.80896
6675.0000 -34.54782 -33.77012 0.77770 1.73974 -33.66858 497.93813
6680.0000 -34.21817 -33.40465 0.81352 1.72382 -33.76540 447.73306
6685.0000 -34.06328 -32.73383 1.32944 1.82619 -33.14274 588.50556
6690.0000 -34.41310 -32.60662 1.80648 1.93789 -32.46339 774.84406
6695.0000 -34.23846 -33.16526 1.07320 1.89290 -32.73698 717.91847
6700.0000 -34.20594 -33.29865 0.90729 1.79543 -33.32983 556.91488
6705.0000 -34.44450 -33.24332 1.20119 1.78969 -33.36476 567.75999
6710.0000 -33.83822 -32.55691 1.28131 1.83767 -33.07294 628.55568
6715.0000 -34.27075 -32.77252 1.49824 1.85351 -32.97655 614.89634
6720.0000 -34.10038 -32.83355 1.26684 1.84498 -33.02847 653.13254
6725.0000 -34.19990 -32.67502 1.52488 1.84795 -33.01039 640.24153
6730.0000 -33.84004 -32.87275 0.96729 1.82891 -33.12623 609.96068
6735.0000 -33.84239 -32.79709 1.04531 1.84227 -33.04497 611.90428
6740.0000 -34.37666 -33.20355 1.17312 1.83101 -33.11342 620.20629
6745.0000 -34.57131 -32.86348 1.70784 1.85209 -32.98521 644.17667
6750.0000 -33.63073 -32.57843 1.05230 1.85965 -32.93924 629.69854
FREEZING PROCESS: loop number 28 T-loop= 640.00000000000000
main_MD> interactions number 28 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14989 0.17458 -2.39478
force_rgl> df(natom) 2.03018 1.99936 -1.15702
6755.0000 -34.11962 -32.63857 1.48104 1.93656 -32.47145 743.56726
6760.0000 -34.16915 -33.06111 1.10804 1.86775 -32.88998 690.39868
6765.0000 -34.33842 -33.26994 1.06848 1.79256 -33.34728 542.18276
6770.0000 -34.52945 -33.54737 0.98208 1.77585 -33.44890 542.29488
6775.0000 -34.61046 -33.62469 0.98577 1.73293 -33.70998 495.46628
6780.0000 -34.50767 -33.33907 1.16861 1.79525 -33.33094 563.40643
6785.0000 -34.48948 -32.69878 1.79070 1.83723 -33.07558 633.13676
6790.0000 -34.17722 -33.33387 0.84335 1.86801 -32.88837 666.69247
6795.0000 -33.92429 -32.63213 1.29216 1.87453 -32.84876 678.00400
6800.0000 -34.12838 -32.34100 1.78738 1.97301 -32.24977 880.19251
6805.0000 -34.07635 -33.20329 0.87307 1.87554 -32.84260 672.01799
6810.0000 -34.48029 -33.49601 0.98428 1.83127 -33.11187 615.18369
6815.0000 -34.28536 -33.07272 1.21264 1.86299 -32.91894 665.75809
6820.0000 -34.31918 -33.18095 1.13824 1.85757 -32.95186 647.17225
6825.0000 -34.52216 -33.57219 0.94997 1.79703 -33.32007 589.00576
6830.0000 -34.62973 -33.35524 1.27449 1.77881 -33.43095 558.05360
6835.0000 -34.70201 -33.82351 0.87850 1.72469 -33.76011 452.83479
6840.0000 -34.45921 -33.49923 0.95998 1.75835 -33.55538 516.43174
6845.0000 -34.02235 -32.90757 1.11478 1.81423 -33.21546 591.30915
6850.0000 -34.26798 -32.59690 1.67107 1.85239 -32.98342 632.00007
6855.0000 -34.22707 -32.63487 1.59220 1.94681 -32.40911 789.03608
6860.0000 -33.05407 -31.78330 1.27076 1.97312 -32.24911 768.33846
6865.0000 -33.57269 -32.24470 1.32799 2.02094 -31.95826 842.69397
6870.0000 -34.15019 -32.43876 1.71143 1.95204 -32.37729 730.21163
6875.0000 -34.39101 -33.03068 1.36033 1.92189 -32.56070 712.89170
6880.0000 -34.12908 -32.72239 1.40669 1.86862 -32.88469 663.60124
6885.0000 -33.80904 -32.61378 1.19526 1.89508 -32.72375 683.55337
6890.0000 -34.25113 -33.07860 1.17254 1.85353 -32.97648 665.53908
6895.0000 -34.06530 -32.51257 1.55273 1.86059 -32.93350 654.68478
6900.0000 -33.40274 -32.38765 1.01508 1.88458 -32.78758 690.96699
6905.0000 -34.03042 -32.55590 1.47452 1.87069 -32.87211 663.69947
6910.0000 -34.60567 -32.97119 1.63448 1.88179 -32.80455 702.29765
6915.0000 -34.28429 -33.03841 1.24588 1.87588 -32.84053 689.30277
6920.0000 -34.55136 -33.59808 0.95328 1.79222 -33.34936 549.19868
6925.0000 -34.40832 -33.32474 1.08358 1.76994 -33.48486 543.85599
6930.0000 -33.96679 -32.81122 1.15558 1.87019 -32.87515 681.06628
6935.0000 -34.22070 -32.81796 1.40275 1.87502 -32.84574 647.47027
6940.0000 -34.10130 -32.21001 1.89129 1.88445 -32.78841 668.00313
6945.0000 -34.01645 -32.83077 1.18569 1.95007 -32.38927 760.44682
6950.0000 -33.87530 -32.22628 1.64902 1.94601 -32.41400 794.16020
6955.0000 -33.56011 -32.48700 1.07311 1.92937 -32.51520 713.91109
6960.0000 -34.36710 -33.27600 1.09109 1.86600 -32.90062 653.72492
6965.0000 -34.32681 -33.24254 1.08427 1.82200 -33.16821 584.48756
6970.0000 -34.08610 -32.75523 1.33087 1.86283 -32.91992 641.45981
6975.0000 -34.24446 -32.88932 1.35514 1.94177 -32.43977 723.78340
6980.0000 -34.66428 -33.75616 0.90812 1.83917 -33.06379 627.93040
6985.0000 -33.77550 -32.91962 0.85587 1.79113 -33.35598 560.60887
6990.0000 -34.27763 -33.55000 0.72762 1.80102 -33.29585 538.70062
6995.0000 -34.29719 -32.75183 1.54536 1.81833 -33.19057 581.18144
7000.0000 -34.23789 -33.35220 0.88568 1.86919 -32.88121 686.01446
FREEZING PROCESS: loop number 29 T-loop= 615.00000000000000
main_MD> interactions number 29 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.87806 0.07379 -1.77323
force_rgl> df(natom) 4.87374 -1.78845 -2.24310
7005.0000 -33.74416 -32.79699 0.94717 1.81797 -33.19275 590.42989
7010.0000 -34.11972 -32.83992 1.27980 1.91236 -32.61861 734.57382
7015.0000 -34.49524 -32.97463 1.52061 1.82774 -33.13330 611.43932
7020.0000 -33.97332 -33.18457 0.78875 1.85153 -32.98860 616.19812
7025.0000 -34.48237 -33.21162 1.27075 1.80791 -33.25391 572.13420
7030.0000 -34.34657 -33.17968 1.16690 1.80685 -33.26040 577.24286
7035.0000 -34.37878 -33.32720 1.05158 1.81472 -33.21251 579.19644
7040.0000 -34.00862 -32.97319 1.03543 1.83721 -33.07574 641.28246
7045.0000 -34.00739 -32.12621 1.88119 1.93183 -32.50022 766.50514
7050.0000 -34.15721 -33.04457 1.11264 1.92902 -32.51728 701.63843
7055.0000 -34.75960 -33.72249 1.03710 1.74095 -33.66118 483.10497
7060.0000 -34.62068 -33.45810 1.16259 1.79185 -33.35159 549.81798
7065.0000 -34.66133 -33.42275 1.23858 1.76382 -33.52212 527.38832
7070.0000 -34.36809 -32.83741 1.53067 1.85043 -32.99530 665.30884
7075.0000 -34.28832 -32.90541 1.38291 1.78487 -33.39404 543.38199
7080.0000 -34.26969 -32.96244 1.30724 1.81146 -33.23231 549.13197
7085.0000 -33.96487 -32.61575 1.34912 1.88095 -32.80968 709.01051
7090.0000 -34.35960 -33.38779 0.97181 1.81687 -33.19942 609.15828
7095.0000 -34.47186 -32.83090 1.64096 1.79416 -33.33757 575.37614
7100.0000 -33.89763 -32.86393 1.03370 1.88485 -32.78597 718.27420
7105.0000 -34.64043 -32.94395 1.69647 1.84424 -33.03296 643.23076
7110.0000 -34.06420 -32.70157 1.36263 1.85695 -32.95565 663.56233
7115.0000 -34.20580 -32.70577 1.50003 1.92261 -32.55630 784.61435
7120.0000 -34.09667 -32.84151 1.25516 1.90210 -32.68106 678.40095
7125.0000 -34.03286 -32.79340 1.23946 1.92940 -32.51498 711.86359
7130.0000 -33.94756 -32.50446 1.44310 1.89102 -32.74843 699.30033
7135.0000 -34.28836 -32.76346 1.52490 1.86668 -32.89647 673.45753
7140.0000 -34.46340 -33.20140 1.26200 1.83968 -33.06070 624.48766
7145.0000 -34.52599 -33.82213 0.70385 1.78092 -33.41808 549.06100
7150.0000 -34.43116 -33.29845 1.13271 1.75105 -33.59974 473.55223
7155.0000 -34.33646 -32.91816 1.41829 1.80483 -33.27265 578.47391
7160.0000 -34.08439 -32.77252 1.31187 1.91829 -32.58260 721.35926
7165.0000 -34.26283 -32.81529 1.44754 1.91596 -32.59674 755.19269
7170.0000 -34.23616 -33.24416 0.99201 1.84877 -33.00539 658.56362
7175.0000 -34.47044 -33.64605 0.82439 1.77203 -33.47214 520.51078
7180.0000 -34.55359 -33.63309 0.92050 1.79596 -33.32663 542.01135
7185.0000 -33.89718 -33.02527 0.87191 1.82144 -33.17162 566.47734
7190.0000 -34.62237 -33.42758 1.19479 1.83338 -33.09900 649.51685
7195.0000 -34.40668 -33.13970 1.26698 1.78446 -33.39657 567.91640
7200.0000 -34.41817 -33.35090 1.06727 1.76599 -33.50891 515.93898
7205.0000 -34.10429 -33.13035 0.97394 1.83613 -33.08229 622.83149
7210.0000 -34.50053 -33.26314 1.23739 1.80316 -33.28280 555.59366
7215.0000 -34.61019 -33.39119 1.21900 1.78194 -33.41189 572.13487
7220.0000 -33.66876 -32.20922 1.45954 1.89930 -32.69809 693.06149
7225.0000 -33.33222 -32.32701 1.00522 2.02695 -31.92166 744.11154
7230.0000 -34.48406 -32.69858 1.78547 1.99392 -32.12256 780.37164
7235.0000 -33.63833 -32.32014 1.31819 1.91931 -32.57639 747.00791
7240.0000 -34.27645 -33.11411 1.16234 1.87884 -32.82251 684.28928
7245.0000 -34.24836 -33.53205 0.71631 1.82070 -33.17616 576.07669
7250.0000 -34.27544 -33.28718 0.98826 1.82306 -33.16179 577.79505
FREEZING PROCESS: loop number 30 T-loop= 590.00000000000000
main_MD> interactions number 30 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41153 0.15142 -0.85486
force_rgl> df(natom) 0.79623 0.49397 -0.59599
7255.0000 -34.51087 -33.42657 1.08430 1.77795 -33.43616 521.56376
7260.0000 -34.00771 -32.73681 1.27090 1.83442 -33.09268 590.93025
7265.0000 -34.11690 -33.19433 0.92257 1.88909 -32.76015 692.60327
7270.0000 -34.42669 -32.84904 1.57765 1.85167 -32.98780 626.81818
7275.0000 -34.66237 -33.20345 1.45892 1.84290 -33.04113 650.89819
7280.0000 -34.66606 -33.36360 1.30246 1.79981 -33.30318 581.88085
7285.0000 -34.77473 -33.53968 1.23505 1.80404 -33.27744 580.31148
7290.0000 -34.35720 -33.16695 1.19025 1.81254 -33.22578 614.93386
7295.0000 -34.51343 -33.27118 1.24225 1.80216 -33.28892 587.47187
7300.0000 -34.39757 -33.06669 1.33088 1.77626 -33.44641 532.26984
7305.0000 -34.13917 -33.06181 1.07736 1.79229 -33.34895 546.26773
7310.0000 -34.76483 -33.57371 1.19113 1.80481 -33.27277 625.29549
7315.0000 -34.31793 -33.18594 1.13199 1.78961 -33.36524 560.06928
7320.0000 -34.27765 -33.12027 1.15738 1.80726 -33.25786 576.16653
7325.0000 -34.56370 -33.23671 1.32699 1.79510 -33.33184 577.69819
7330.0000 -34.27665 -33.47908 0.79757 1.79234 -33.34864 558.92282
7335.0000 -34.70927 -33.42454 1.28473 1.75721 -33.56232 494.11083
7340.0000 -34.67728 -33.60943 1.06785 1.77603 -33.44782 537.35517
7345.0000 -34.22938 -32.99582 1.23356 1.74902 -33.61213 492.28432
7350.0000 -34.56125 -33.07523 1.48602 1.84408 -33.03392 630.32762
7355.0000 -34.60886 -33.45614 1.15272 1.82241 -33.16573 620.04952
7360.0000 -34.89986 -34.12712 0.77274 1.73678 -33.68653 490.33894
7365.0000 -34.47109 -33.58299 0.88810 1.71626 -33.81135 466.59782
7370.0000 -34.44034 -33.09458 1.34576 1.76600 -33.50882 500.23553
7375.0000 -34.33393 -33.47078 0.86315 1.79941 -33.30564 570.95784
7380.0000 -34.32936 -33.26850 1.06086 1.80698 -33.25957 571.72211
7385.0000 -34.84505 -33.81100 1.03405 1.75146 -33.59724 490.10041
7390.0000 -34.47141 -33.19706 1.27436 1.78510 -33.39268 553.78338
7395.0000 -34.17081 -33.45478 0.71603 1.84036 -33.05658 637.20113
7400.0000 -34.18786 -33.22614 0.96173 1.78694 -33.38145 571.97053
7405.0000 -33.52008 -31.99065 1.52943 1.88088 -32.81010 656.38545
7410.0000 -34.14379 -33.00117 1.14262 1.90505 -32.66310 724.60235
7415.0000 -33.98641 -32.72081 1.26560 1.81622 -33.20338 588.52645
7420.0000 -34.16435 -32.90020 1.26416 1.87876 -32.82302 675.62642
7425.0000 -34.27812 -33.55226 0.72586 1.81709 -33.19808 585.52211
7430.0000 -34.58212 -33.79351 0.78861 1.72105 -33.78223 449.58927
7435.0000 -34.33183 -33.25059 1.08124 1.76336 -33.52486 521.36649
7440.0000 -34.91431 -33.81049 1.10382 1.72359 -33.76678 447.91757
7445.0000 -34.47656 -33.30623 1.17033 1.77804 -33.43558 568.58341
7450.0000 -34.26227 -33.42942 0.83285 1.79120 -33.35553 547.39204
7455.0000 -34.39036 -33.46512 0.92524 1.80466 -33.27368 589.76126
7460.0000 -34.28203 -33.44303 0.83899 1.75910 -33.55082 497.47312
7465.0000 -34.25248 -33.07322 1.17927 1.81505 -33.21052 584.57006
7470.0000 -34.55229 -33.31914 1.23315 1.79667 -33.32232 555.06009
7475.0000 -34.21802 -33.24918 0.96884 1.79608 -33.32590 558.79724
7480.0000 -34.37095 -33.09144 1.27951 1.78667 -33.38311 563.71460
7485.0000 -34.53902 -33.53033 1.00870 1.79069 -33.35866 538.40576
7490.0000 -34.47297 -33.44079 1.03218 1.75410 -33.58120 486.86195
7495.0000 -34.09469 -32.94844 1.14626 1.76537 -33.51268 477.52414
7500.0000 -33.92153 -32.76886 1.15266 1.83696 -33.07726 604.78662
FREEZING PROCESS: loop number 31 T-loop= 565.00000000000000
main_MD> interactions number 31 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89998 0.95715 -1.14653
force_rgl> df(natom) 0.29057 0.02178 1.41421
7505.0000 -33.80931 -32.70466 1.10465 1.89272 -32.73811 661.90103
7510.0000 -34.10899 -32.78384 1.32515 1.88902 -32.76058 588.37616
7515.0000 -33.48714 -32.18795 1.29919 1.87779 -32.82892 645.27933
7520.0000 -33.92375 -32.82936 1.09439 1.91837 -32.58206 730.73174
7525.0000 -34.07142 -33.11922 0.95219 1.80845 -33.25066 582.95676
7530.0000 -34.32783 -33.44069 0.88714 1.84419 -33.03329 631.32295
7535.0000 -34.36926 -33.45011 0.91915 1.76142 -33.53670 500.14624
7540.0000 -34.07200 -33.28798 0.78402 1.80514 -33.27080 568.73413
7545.0000 -34.50369 -33.55198 0.95171 1.81042 -33.23864 572.32991
7550.0000 -34.68577 -33.62656 1.05921 1.76902 -33.49049 512.00579
7555.0000 -34.85115 -33.86930 0.98185 1.72723 -33.74462 456.59073
7560.0000 -34.53301 -33.53034 1.00267 1.73789 -33.67983 465.57828
7565.0000 -34.08144 -33.32125 0.76019 1.75425 -33.58032 475.31530
7570.0000 -34.32008 -33.36441 0.95567 1.80581 -33.26673 579.27991
7575.0000 -34.00507 -32.89997 1.10510 1.83486 -33.09001 647.97482
7580.0000 -34.69678 -33.63661 1.06017 1.80652 -33.26239 592.29021
7585.0000 -34.61668 -33.26991 1.34677 1.77474 -33.45570 508.18824
7590.0000 -34.40338 -33.17877 1.22461 1.82838 -33.12944 589.19978
7595.0000 -34.24890 -33.02593 1.22298 1.81988 -33.18112 584.83758
7600.0000 -34.51622 -32.89562 1.62060 1.85048 -32.99504 654.36122
7605.0000 -34.72027 -33.79356 0.92671 1.82360 -33.15848 597.03728
7610.0000 -34.43752 -33.61782 0.81970 1.70925 -33.85398 418.87797
7615.0000 -34.41498 -33.42650 0.98849 1.77071 -33.48015 531.30474
7620.0000 -34.75276 -33.65891 1.09386 1.74726 -33.62281 506.93618
7625.0000 -34.69915 -34.06694 0.63220 1.71183 -33.83829 463.68481
7630.0000 -34.33866 -33.14329 1.19537 1.77743 -33.43934 549.64726
7635.0000 -34.39150 -33.07265 1.31885 1.83871 -33.06660 648.28292
7640.0000 -34.16718 -32.86449 1.30269 1.84877 -33.00540 651.59174
7645.0000 -34.22504 -33.18044 1.04460 1.82617 -33.14286 601.91421
7650.0000 -34.38557 -33.16216 1.22341 1.81644 -33.20202 583.07183
7655.0000 -34.63357 -33.42887 1.20470 1.81421 -33.21561 578.72771
7660.0000 -34.41710 -33.07775 1.33935 1.81193 -33.22949 592.80947
7665.0000 -34.48554 -33.27872 1.20682 1.78348 -33.40251 571.07369
7670.0000 -34.61776 -33.03696 1.58080 1.79449 -33.33557 537.51208
7675.0000 -34.25724 -33.02288 1.23437 1.84777 -33.01148 626.98796
7680.0000 -34.72101 -33.63851 1.08250 1.80709 -33.25892 584.46476
7685.0000 -34.20405 -33.38912 0.81493 1.76457 -33.51756 515.43379
7690.0000 -34.27908 -32.60824 1.67084 1.85385 -32.97449 674.16700
7695.0000 -34.40146 -33.32927 1.07219 1.85877 -32.94457 668.29306
7700.0000 -34.48483 -33.21333 1.27150 1.80658 -33.26202 585.55222
7705.0000 -34.62273 -33.88746 0.73526 1.76131 -33.53737 535.74705
7710.0000 -34.57946 -33.35847 1.22099 1.73732 -33.68327 500.97084
7715.0000 -34.30461 -33.34563 0.95898 1.76931 -33.48872 487.40435
7720.0000 -33.97682 -32.37294 1.60388 1.86760 -32.89090 622.11693
7725.0000 -33.99511 -32.56336 1.43175 1.91932 -32.57630 710.70108
7730.0000 -34.74694 -33.18147 1.56547 1.86977 -32.87771 662.89663
7735.0000 -34.44250 -33.24008 1.20242 1.78218 -33.41040 547.94640
7740.0000 -34.44846 -33.29179 1.15667 1.77471 -33.45587 534.07900
7745.0000 -34.59852 -33.13862 1.45990 1.80332 -33.28182 559.57976
7750.0000 -34.08893 -33.16449 0.92445 1.77819 -33.43467 527.79686
FREEZING PROCESS: loop number 32 T-loop= 540.00000000000000
main_MD> interactions number 32 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54553 1.17088 -0.34102
force_rgl> df(natom) 2.11521 0.49099 -1.35538
7755.0000 -34.43962 -33.43702 1.00260 1.83323 -33.09993 587.15614
7760.0000 -34.40007 -33.16077 1.23930 1.80230 -33.28802 562.63877
7765.0000 -34.57297 -34.02873 0.54424 1.74848 -33.61541 505.30878
7770.0000 -34.46979 -33.70566 0.76413 1.70495 -33.88016 438.86284
7775.0000 -34.61230 -33.72482 0.88748 1.73319 -33.70842 459.62227
7780.0000 -34.27205 -33.27389 0.99816 1.73742 -33.68264 485.39705
7785.0000 -34.30830 -33.08008 1.22822 1.77684 -33.44290 533.28742
7790.0000 -34.30463 -33.16009 1.14454 1.84765 -33.01224 644.80471
7795.0000 -34.08490 -33.37520 0.70969 1.83472 -33.09083 627.27565
7800.0000 -34.81790 -33.67054 1.14736 1.74704 -33.62414 504.09990
7805.0000 -34.40086 -33.60112 0.79974 1.74164 -33.65699 497.10099
7810.0000 -34.44674 -33.76044 0.68629 1.76516 -33.51395 516.44297
7815.0000 -34.61388 -33.70058 0.91330 1.71407 -33.82471 443.82752
7820.0000 -34.41383 -33.38599 1.02784 1.78533 -33.39128 566.84273
7825.0000 -34.38641 -33.38838 0.99803 1.77920 -33.42854 526.66744
7830.0000 -34.41570 -33.47284 0.94286 1.76582 -33.50990 506.99825
7835.0000 -34.66836 -33.57954 1.08882 1.77658 -33.44450 515.22603
7840.0000 -34.70562 -33.72116 0.98446 1.77604 -33.44777 573.69525
7845.0000 -34.20920 -33.41845 0.79075 1.74706 -33.62405 509.26682
7850.0000 -34.29923 -33.02094 1.27829 1.81099 -33.23521 582.24756
7855.0000 -34.45348 -33.52690 0.92658 1.77010 -33.48387 526.60646
7860.0000 -34.09720 -33.30151 0.79569 1.78898 -33.36907 553.17800
7865.0000 -34.54294 -33.71550 0.82744 1.72971 -33.72956 459.76616
7870.0000 -34.75741 -34.05745 0.69996 1.74016 -33.66602 467.13122
7875.0000 -34.72597 -33.58036 1.14561 1.70501 -33.87979 447.19846
7880.0000 -34.89743 -33.75373 1.14370 1.75671 -33.56534 515.17125
7885.0000 -34.20757 -33.36714 0.84043 1.76352 -33.52391 540.27454
7890.0000 -34.54037 -33.20161 1.33876 1.81062 -33.23747 545.19573
7895.0000 -34.23211 -32.61821 1.61390 1.87888 -32.82226 691.49583
7900.0000 -34.34818 -33.00944 1.33874 1.90501 -32.66334 713.80262
7905.0000 -34.31560 -32.98692 1.32867 1.80843 -33.25078 581.59055
7910.0000 -34.52572 -33.57642 0.94930 1.79542 -33.32989 553.77624
7915.0000 -33.90808 -32.93471 0.97337 1.79279 -33.34587 545.06363
7920.0000 -34.44221 -33.31184 1.13037 1.79734 -33.31822 557.91213
7925.0000 -34.03226 -33.11017 0.92209 1.79723 -33.31891 582.71713
7930.0000 -34.59466 -33.33079 1.26387 1.85135 -32.98972 618.75388
7935.0000 -34.66728 -33.55948 1.10779 1.77979 -33.42493 527.43539
7940.0000 -34.52135 -33.15501 1.36633 1.78284 -33.40641 587.28356
7945.0000 -34.54475 -33.44451 1.10023 1.78451 -33.39626 544.26447
7950.0000 -34.79433 -33.89561 0.89872 1.75141 -33.59756 499.04269
7955.0000 -34.37753 -33.62848 0.74905 1.72183 -33.77750 423.87424
7960.0000 -34.53383 -33.44099 1.09284 1.78529 -33.39153 526.33082
7965.0000 -34.61754 -33.33361 1.28393 1.83988 -33.05950 647.43318
7970.0000 -34.38973 -33.40151 0.98822 1.78425 -33.39782 539.96529
7975.0000 -34.19276 -33.09506 1.09770 1.81145 -33.23240 587.51914
7980.0000 -34.05163 -32.86095 1.19069 1.85561 -32.96378 626.12694
7985.0000 -34.05856 -32.79026 1.26830 1.91796 -32.58455 755.08931
7990.0000 -34.21834 -32.81925 1.39909 1.87174 -32.86571 651.60465
7995.0000 -34.59119 -33.68074 0.91044 1.76524 -33.51343 523.05500
8000.0000 -34.67739 -33.57291 1.10449 1.75739 -33.56119 528.79612
FREEZING PROCESS: loop number 33 T-loop= 515.00000000000000
main_MD> interactions number 33 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40423 -0.57140 1.08882
force_rgl> df(natom) -0.34342 2.52217 -0.78196
8005.0000 -34.40877 -33.37802 1.03076 1.80702 -33.25936 569.16418
8010.0000 -33.88726 -32.92778 0.95948 1.80153 -33.29275 584.15929
8015.0000 -34.46617 -33.36885 1.09732 1.78983 -33.36388 561.40905
8020.0000 -34.40145 -33.43318 0.96827 1.76356 -33.52368 476.46540
8025.0000 -34.50356 -33.52541 0.97815 1.77165 -33.47446 541.66489
8030.0000 -34.32308 -33.30145 1.02163 1.80655 -33.26222 550.35546
8035.0000 -34.77817 -33.70484 1.07332 1.75984 -33.54632 516.68101
8040.0000 -34.49649 -33.44596 1.05053 1.73811 -33.67849 475.82521
8045.0000 -34.58975 -33.54743 1.04231 1.76251 -33.53004 514.49290
8050.0000 -33.96439 -32.77902 1.18537 1.81457 -33.21341 628.87717
8055.0000 -34.58498 -33.58130 1.00368 1.81981 -33.18153 630.52521
8060.0000 -34.58506 -33.49446 1.09060 1.75217 -33.59293 490.71486
8065.0000 -35.00754 -33.93198 1.07555 1.74467 -33.63854 475.20579
8070.0000 -34.69411 -33.55288 1.14123 1.72031 -33.78673 448.81229
8075.0000 -34.72172 -33.94211 0.77961 1.71008 -33.84893 448.77449
8080.0000 -34.72402 -33.96838 0.75564 1.67647 -34.05335 394.95205
8085.0000 -34.79940 -33.69324 1.10615 1.72494 -33.75857 457.97004
8090.0000 -34.51387 -33.30361 1.21026 1.77509 -33.45357 557.42682
8095.0000 -34.37033 -33.51611 0.85422 1.77313 -33.46548 517.56184
8100.0000 -34.87721 -33.66802 1.20919 1.75829 -33.55570 527.66731
8105.0000 -34.34118 -33.01499 1.32619 1.78045 -33.42095 543.18219
8110.0000 -34.77476 -33.65156 1.12320 1.80257 -33.28639 586.22896
8115.0000 -34.79126 -34.04269 0.74857 1.70312 -33.89127 442.63859
8120.0000 -34.53349 -33.73475 0.79874 1.74629 -33.62873 470.61992
8125.0000 -34.49969 -33.62850 0.87118 1.72895 -33.73419 463.45316
8130.0000 -34.52824 -33.75075 0.77748 1.73985 -33.66789 502.01165
8135.0000 -34.54776 -33.94301 0.60475 1.75363 -33.58407 507.31394
8140.0000 -34.61025 -33.50690 1.10336 1.71909 -33.79415 433.29378
8145.0000 -34.57096 -33.31572 1.25524 1.78378 -33.40071 574.55632
8150.0000 -34.52681 -33.18952 1.33728 1.80970 -33.24304 597.19341
8155.0000 -34.59410 -33.46286 1.13124 1.76708 -33.50224 522.81381
8160.0000 -34.37691 -33.42066 0.95625 1.75680 -33.56478 510.69865
8165.0000 -34.32635 -33.27721 1.04914 1.78225 -33.41000 554.23868
8170.0000 -34.42126 -33.27450 1.14676 1.80838 -33.25107 596.43058
8175.0000 -34.66738 -33.69435 0.97303 1.75683 -33.56460 515.21734
8180.0000 -34.46868 -33.55019 0.91849 1.71393 -33.82552 450.33169
8185.0000 -34.27697 -33.00623 1.27074 1.75916 -33.55045 519.95036
8190.0000 -34.82038 -33.46785 1.35252 1.82719 -33.13667 611.30459
8195.0000 -34.48556 -33.49092 0.99464 1.75903 -33.55123 509.09146
8200.0000 -34.64953 -33.03385 1.61569 1.77814 -33.43497 527.84200
8205.0000 -34.57038 -33.30020 1.27017 1.78966 -33.36493 536.30501
8210.0000 -34.39162 -33.39485 0.99677 1.78513 -33.39247 549.26892
8215.0000 -34.56699 -33.95643 0.61056 1.77161 -33.47470 523.39572
8220.0000 -34.32856 -33.47941 0.84915 1.73367 -33.70545 449.94264
8225.0000 -34.57036 -34.02795 0.54240 1.73406 -33.70310 441.80814
8230.0000 -34.79833 -33.91411 0.88422 1.68872 -33.97885 394.39398
8235.0000 -34.21104 -33.11659 1.09444 1.79851 -33.31108 597.68089
8240.0000 -34.23327 -33.28428 0.94899 1.83204 -33.10717 621.87570
8245.0000 -34.26847 -33.04215 1.22632 1.83029 -33.11778 630.32206
8250.0000 -34.24728 -33.17533 1.07195 1.83530 -33.08736 609.30871
FREEZING PROCESS: loop number 34 T-loop= 490.00000000000000
main_MD> interactions number 34 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45457 3.83477 0.73295
force_rgl> df(natom) -2.10554 0.58849 -0.92482
8255.0000 -34.70424 -33.40061 1.30363 1.75328 -33.58621 494.75875
8260.0000 -34.49014 -33.55138 0.93876 1.77161 -33.47471 538.87744
8265.0000 -34.51580 -33.74822 0.76758 1.74033 -33.66494 473.25422
8270.0000 -34.50921 -33.54185 0.96737 1.72897 -33.73405 471.69746
8275.0000 -34.56023 -33.60591 0.95432 1.73300 -33.70952 476.17214
8280.0000 -34.70512 -33.70994 0.99517 1.74197 -33.65499 467.38492
8285.0000 -34.55804 -33.45972 1.09833 1.75192 -33.59446 503.43347
8290.0000 -34.49010 -33.48345 1.00665 1.78745 -33.37837 533.79043
8295.0000 -34.71015 -33.71005 1.00011 1.73684 -33.68621 477.80109
8300.0000 -34.61193 -33.52871 1.08322 1.72939 -33.73147 470.02819
8305.0000 -34.46606 -32.87561 1.59045 1.84235 -33.04444 637.36189
8310.0000 -34.37148 -33.68005 0.69143 1.82406 -33.15568 603.85765
8315.0000 -34.26620 -33.14036 1.12584 1.79815 -33.31331 559.23355
8320.0000 -34.68966 -33.50499 1.18467 1.73536 -33.69520 483.06042
8325.0000 -34.22282 -33.30958 0.91324 1.74753 -33.62117 494.37509
8330.0000 -34.78164 -33.55331 1.22833 1.81938 -33.18417 588.81770
8335.0000 -34.49145 -33.44463 1.04682 1.78291 -33.40599 528.55080
8340.0000 -34.58418 -33.81090 0.77328 1.76344 -33.52437 517.65220
8345.0000 -34.39534 -33.64568 0.74966 1.76366 -33.52305 548.68052
8350.0000 -34.61231 -33.87244 0.73987 1.71116 -33.84239 443.46968
8355.0000 -34.78424 -33.83271 0.95153 1.73041 -33.72528 471.93034
8360.0000 -34.54434 -33.68938 0.85496 1.72441 -33.76179 443.73345
8365.0000 -34.71651 -33.61844 1.09808 1.73682 -33.68629 493.11294
8370.0000 -34.40979 -33.27206 1.13773 1.77893 -33.43019 551.03873
8375.0000 -34.47782 -33.74327 0.73455 1.74323 -33.64734 462.49127
8380.0000 -34.56288 -33.83114 0.73174 1.72736 -33.74387 464.85429
8385.0000 -35.00374 -34.16982 0.83392 1.67268 -34.07643 377.02439
8390.0000 -34.91328 -34.31136 0.60191 1.66360 -34.13166 379.95276
8395.0000 -34.53533 -33.61504 0.92029 1.66136 -34.14526 383.39956
8400.0000 -34.82325 -34.14117 0.68209 1.67983 -34.03294 393.97929
8405.0000 -34.48082 -33.60744 0.87338 1.71445 -33.82238 469.92482
8410.0000 -34.67416 -33.52700 1.14716 1.75393 -33.58225 514.39242
8415.0000 -34.27230 -33.24519 1.02711 1.78757 -33.37765 538.82966
8420.0000 -34.65203 -33.52729 1.12474 1.78686 -33.38197 537.51981
8425.0000 -34.46327 -33.22415 1.23912 1.78934 -33.36686 559.41988
8430.0000 -34.56168 -33.39786 1.16382 1.80981 -33.24238 564.20046
8435.0000 -34.73999 -33.74425 0.99575 1.75568 -33.57162 518.72820
8440.0000 -34.41592 -33.53451 0.88142 1.71324 -33.82972 451.52242
8445.0000 -34.40496 -33.54169 0.86326 1.74377 -33.64405 495.27061
8450.0000 -34.26725 -33.27588 0.99137 1.79114 -33.35595 534.60800
8455.0000 -34.33123 -33.15827 1.17296 1.76867 -33.49261 524.01908
8460.0000 -34.80321 -33.60906 1.19415 1.77700 -33.44192 534.94117
8465.0000 -34.75688 -34.19048 0.56640 1.70259 -33.89452 427.00845
8470.0000 -34.29861 -33.44579 0.85282 1.69001 -33.97102 425.83772
8475.0000 -34.77848 -33.87842 0.90006 1.73398 -33.70358 494.15883
8480.0000 -34.75319 -33.68457 1.06862 1.73645 -33.68856 464.57850
8485.0000 -34.54150 -33.56176 0.97974 1.72352 -33.76722 465.18273
8490.0000 -34.36644 -33.45300 0.91344 1.79907 -33.30770 554.43773
8495.0000 -34.39027 -33.31694 1.07333 1.81756 -33.19526 586.44351
8500.0000 -34.64960 -33.58228 1.06732 1.77725 -33.44040 570.04019
FREEZING PROCESS: loop number 35 T-loop= 465.00000000000000
main_MD> interactions number 35 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40535 -0.78588 -0.26965
force_rgl> df(natom) 1.14922 -0.45230 0.20970
8505.0000 -34.60395 -33.74101 0.86294 1.73153 -33.71848 477.45730
8510.0000 -34.57484 -33.96408 0.61077 1.74401 -33.64260 521.02425
8515.0000 -34.89785 -33.73537 1.16248 1.69265 -33.95497 392.81437
8520.0000 -34.35315 -33.65816 0.69499 1.71759 -33.80328 448.15194
8525.0000 -34.51778 -33.72709 0.79069 1.73972 -33.66866 467.13046
8530.0000 -34.71419 -33.70110 1.01309 1.73581 -33.69248 463.40554
8535.0000 -34.30426 -33.41419 0.89007 1.75788 -33.55824 487.05228
8540.0000 -34.50463 -33.39881 1.10582 1.75944 -33.54874 493.50981
8545.0000 -34.63971 -33.57315 1.06657 1.74123 -33.65950 477.69747
8550.0000 -34.23859 -33.15826 1.08033 1.77503 -33.45393 543.68712
8555.0000 -34.50533 -33.67473 0.83061 1.75515 -33.57481 525.14291
8560.0000 -34.71935 -33.92197 0.79738 1.70708 -33.86719 429.21946
8565.0000 -34.61738 -33.68673 0.93065 1.71452 -33.82192 463.20739
8570.0000 -34.31493 -33.68031 0.63462 1.74652 -33.62730 480.20339
8575.0000 -34.85862 -33.96130 0.89733 1.70650 -33.87071 423.19180
8580.0000 -34.60216 -33.69338 0.90878 1.71935 -33.79254 444.07480
8585.0000 -34.89846 -34.08770 0.81076 1.70535 -33.87770 422.06396
8590.0000 -34.42328 -33.51820 0.90508 1.72246 -33.77363 464.37263
8595.0000 -34.63148 -33.42909 1.20239 1.76358 -33.52356 509.59700
8600.0000 -34.93753 -33.85087 1.08666 1.76816 -33.49571 530.01002
8605.0000 -34.96296 -33.99192 0.97104 1.68464 -34.00366 407.84609
8610.0000 -34.77308 -33.95267 0.82041 1.69111 -33.96431 408.66606
8615.0000 -34.53205 -33.70601 0.82604 1.73021 -33.72651 484.48894
8620.0000 -34.77616 -34.00347 0.77269 1.72103 -33.78232 481.80372
8625.0000 -34.83776 -34.01650 0.82126 1.68616 -33.99442 398.49859
8630.0000 -34.97203 -34.01142 0.96062 1.72770 -33.74178 470.30574
8635.0000 -34.82845 -33.14691 1.68153 1.74701 -33.62432 483.57151
8640.0000 -34.70631 -33.95225 0.75406 1.76269 -33.52895 526.60719
8645.0000 -34.96149 -34.12275 0.83874 1.71742 -33.80429 436.64794
8650.0000 -34.49552 -33.65738 0.83814 1.74238 -33.65251 507.80232
8655.0000 -34.67196 -33.78107 0.89090 1.72994 -33.72817 472.42322
8660.0000 -34.42663 -33.76245 0.66417 1.72174 -33.77800 450.91662
8665.0000 -34.19637 -33.42039 0.77598 1.75146 -33.59726 482.39748
8670.0000 -34.79574 -34.01446 0.78129 1.70204 -33.89785 410.48085
8675.0000 -34.84047 -34.24158 0.59888 1.68554 -33.99821 400.43652
8680.0000 -34.55920 -33.81965 0.73956 1.66029 -34.15178 361.84471
8685.0000 -34.21566 -33.37378 0.84188 1.73518 -33.69631 478.40505
8690.0000 -34.73792 -33.75997 0.97795 1.71226 -33.83568 391.91533
8695.0000 -34.71584 -34.02144 0.69440 1.71326 -33.82963 440.24595
8700.0000 -34.67881 -33.57850 1.10031 1.70823 -33.86019 434.07629
8705.0000 -34.80575 -33.70120 1.10455 1.74589 -33.63115 479.16998
8710.0000 -34.62098 -33.72135 0.89963 1.76310 -33.52649 504.43433
8715.0000 -34.26047 -33.77461 0.48585 1.75283 -33.58893 493.51572
8720.0000 -34.80383 -33.87373 0.93009 1.70540 -33.87743 425.35557
8725.0000 -34.57343 -33.81460 0.75883 1.76314 -33.52622 556.78053
8730.0000 -34.68411 -33.95448 0.72963 1.69396 -33.94698 396.85373
8735.0000 -34.76390 -33.80630 0.95760 1.71605 -33.81261 427.77022
8740.0000 -34.38388 -33.64261 0.74128 1.73694 -33.68558 469.34172
8745.0000 -34.49504 -33.69941 0.79562 1.72578 -33.75344 449.74659
8750.0000 -34.82206 -33.81959 1.00247 1.73356 -33.70613 462.72569
FREEZING PROCESS: loop number 36 T-loop= 440.00000000000000
main_MD> interactions number 36 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67290 -0.11828 -0.38661
force_rgl> df(natom) 0.33840 -0.15291 -1.19273
8755.0000 -34.70052 -33.78626 0.91427 1.72069 -33.78445 485.49486
8760.0000 -34.61531 -33.75922 0.85609 1.73799 -33.67919 475.07132
8765.0000 -34.93907 -34.11749 0.82158 1.69554 -33.93736 409.75540
8770.0000 -34.44583 -33.68730 0.75853 1.72147 -33.77970 438.33446
8775.0000 -34.88949 -33.82746 1.06203 1.74050 -33.66395 489.67877
8780.0000 -34.47202 -33.64721 0.82482 1.71067 -33.84534 450.49226
8785.0000 -34.70577 -33.83835 0.86742 1.73459 -33.69989 464.95299
8790.0000 -34.79345 -34.26804 0.52541 1.69083 -33.96601 393.85321
8795.0000 -34.72417 -34.05584 0.66833 1.66152 -34.14428 363.13559
8800.0000 -34.77855 -33.75557 1.02298 1.69104 -33.96478 395.34455
8805.0000 -35.04750 -34.38810 0.65940 1.64420 -34.24962 336.88052
8810.0000 -35.09993 -34.35123 0.74870 1.63335 -34.31564 338.39290
8815.0000 -34.82382 -33.90970 0.91412 1.64775 -34.22804 355.04791
8820.0000 -34.75815 -34.03972 0.71843 1.67939 -34.03559 389.46652
8825.0000 -35.09772 -34.34572 0.75199 1.68202 -34.01962 404.85952
8830.0000 -35.04481 -34.31754 0.72727 1.62763 -34.35044 311.03168
8835.0000 -34.65608 -33.71167 0.94440 1.71120 -33.84216 440.55432
8840.0000 -34.99852 -34.11726 0.88125 1.70865 -33.85762 444.31096
8845.0000 -34.92917 -34.06384 0.86533 1.67297 -34.07467 369.16300
8850.0000 -34.70452 -33.90232 0.80219 1.71106 -33.84296 437.90533
8855.0000 -34.45164 -33.55533 0.89631 1.73587 -33.69209 461.54182
8860.0000 -34.51470 -33.59940 0.91529 1.77690 -33.44252 549.73569
8865.0000 -34.21401 -33.39595 0.81806 1.79083 -33.35778 547.40591
8870.0000 -34.57582 -33.28056 1.29527 1.78869 -33.37082 557.84282
8875.0000 -34.44517 -33.25711 1.18807 1.79033 -33.36084 527.31667
8880.0000 -34.64471 -33.89804 0.74667 1.76669 -33.50465 512.85955
8885.0000 -34.70841 -34.03140 0.67700 1.68087 -34.02661 374.34903
8890.0000 -34.86343 -33.90824 0.95519 1.69374 -33.94835 401.93967
8895.0000 -35.04563 -34.30229 0.74334 1.65601 -34.17784 366.87674
8900.0000 -35.03624 -34.20679 0.82945 1.64682 -34.23372 338.52557
8905.0000 -34.95488 -34.28477 0.67011 1.63614 -34.29864 319.32433
8910.0000 -34.92679 -34.12187 0.80491 1.66112 -34.14673 359.40125
8915.0000 -35.01891 -34.03117 0.98774 1.66167 -34.14341 349.70946
8920.0000 -34.19157 -33.50753 0.68404 1.73007 -33.72735 473.58493
8925.0000 -34.63222 -33.84426 0.78796 1.72718 -33.74497 472.51914
8930.0000 -34.46685 -33.84317 0.62368 1.69809 -33.92189 410.03822
8935.0000 -34.85765 -34.03121 0.82643 1.69059 -33.96746 400.17055
8940.0000 -34.76203 -33.75043 1.01161 1.67759 -34.04659 365.33104
8945.0000 -34.73320 -34.22670 0.50650 1.68921 -33.97587 429.27413
8950.0000 -34.92942 -33.99888 0.93055 1.69454 -33.94347 411.67763
8955.0000 -34.30091 -33.53802 0.76288 1.72151 -33.77943 437.62381
8960.0000 -34.52859 -33.91951 0.60907 1.71246 -33.83449 419.82565
8965.0000 -34.88603 -34.09097 0.79506 1.67569 -34.05814 397.70248
8970.0000 -34.82186 -34.12863 0.69323 1.68877 -33.97853 428.83005
8975.0000 -34.62467 -33.75709 0.86758 1.66329 -34.13355 382.82566
8980.0000 -34.53618 -33.83726 0.69892 1.73077 -33.72309 467.24960
8985.0000 -34.54108 -33.63870 0.90239 1.71210 -33.83667 431.50532
8990.0000 -34.78845 -34.00429 0.78416 1.72129 -33.78077 451.85396
8995.0000 -34.92098 -34.01728 0.90370 1.69635 -33.93245 421.31908
9000.0000 -34.67206 -33.50068 1.17139 1.70932 -33.85356 446.67065
FREEZING PROCESS: loop number 37 T-loop= 415.00000000000000
main_MD> interactions number 37 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84546 1.55471 -0.89525
force_rgl> df(natom) -0.32302 2.36502 -0.80303
9005.0000 -34.68397 -33.71572 0.96825 1.77405 -33.45984 529.67139
9010.0000 -34.93715 -33.90891 1.02824 1.71188 -33.83802 433.05583
9015.0000 -34.74479 -33.96165 0.78314 1.69981 -33.91141 430.01976
9020.0000 -34.62667 -33.80906 0.81760 1.73120 -33.72049 451.22409
9025.0000 -34.93785 -34.11333 0.82452 1.70977 -33.85083 427.20497
9030.0000 -34.66529 -33.94978 0.71551 1.65961 -34.15592 351.09231
9035.0000 -34.91060 -34.29050 0.62010 1.66355 -34.13197 363.90397
9040.0000 -34.84175 -34.10845 0.73330 1.65922 -34.15827 355.96166
9045.0000 -34.62168 -33.97212 0.64956 1.66323 -34.13390 348.64853
9050.0000 -34.90894 -34.11051 0.79843 1.68902 -33.97703 410.74098
9055.0000 -35.08141 -34.14751 0.93390 1.67749 -34.04716 388.21969
9060.0000 -34.69110 -34.03388 0.65722 1.66525 -34.12161 363.65975
9065.0000 -34.63681 -33.57782 1.05899 1.69064 -33.96717 404.24254
9070.0000 -34.85766 -34.11185 0.74582 1.71359 -33.82762 446.29670
9075.0000 -34.91682 -34.41229 0.50453 1.63264 -34.31995 309.53904
9080.0000 -34.82454 -33.92932 0.89522 1.65083 -34.20929 353.95598
9085.0000 -34.69403 -33.94503 0.74900 1.71024 -33.84797 418.96881
9090.0000 -34.89377 -34.11006 0.78371 1.66090 -34.14810 346.70950
9095.0000 -34.58651 -33.74468 0.84183 1.70850 -33.85854 418.78927
9100.0000 -34.81691 -34.08378 0.73313 1.71683 -33.80790 429.15628
9105.0000 -35.08792 -34.33423 0.75369 1.67719 -34.04896 386.62688
9110.0000 -34.86479 -34.23929 0.62551 1.63774 -34.28895 324.58786
9115.0000 -34.71549 -34.18033 0.53516 1.66309 -34.13477 345.08573
9120.0000 -34.63871 -33.53937 1.09934 1.68494 -34.00184 398.15623
9125.0000 -34.93170 -34.04812 0.88358 1.72875 -33.73539 466.53005
9130.0000 -34.78315 -33.84254 0.94061 1.71001 -33.84937 445.22731
9135.0000 -34.49190 -33.63741 0.85449 1.73190 -33.71624 495.79313
9140.0000 -34.86105 -33.96041 0.90064 1.69048 -33.96818 400.12423
9145.0000 -34.66604 -33.37017 1.29587 1.76496 -33.51515 525.31763
9150.0000 -34.62718 -33.61365 1.01354 1.79090 -33.35740 573.77530
9155.0000 -34.41330 -33.44729 0.96601 1.75036 -33.60395 478.58438
9160.0000 -34.69668 -33.88600 0.81068 1.72271 -33.77213 428.35302
9165.0000 -34.90397 -34.25097 0.65300 1.66654 -34.11378 373.14240
9170.0000 -34.71449 -33.92584 0.78865 1.67729 -34.04841 378.63015
9175.0000 -34.79362 -34.15032 0.64330 1.67793 -34.04447 387.99746
9180.0000 -34.99288 -34.16639 0.82649 1.67626 -34.05468 399.72358
9185.0000 -34.38067 -33.51350 0.86718 1.71657 -33.80947 480.23870
9190.0000 -34.78475 -33.37768 1.40707 1.78161 -33.41386 532.42171
9195.0000 -34.37567 -33.31932 1.05635 1.80144 -33.29328 553.29583
9200.0000 -34.63683 -33.32496 1.31187 1.78824 -33.37358 533.57058
9205.0000 -35.04722 -34.13180 0.91543 1.76625 -33.50731 537.01502
9210.0000 -34.78553 -34.21848 0.56705 1.66080 -34.14870 355.38073
9215.0000 -34.62840 -33.94471 0.68370 1.70330 -33.89016 445.11529
9220.0000 -34.66148 -33.87213 0.78936 1.70493 -33.88024 422.42380
9225.0000 -34.73622 -34.08683 0.64939 1.66414 -34.12837 339.49985
9230.0000 -34.68696 -34.19821 0.48875 1.66763 -34.10711 362.76746
9235.0000 -34.96705 -34.04175 0.92530 1.69021 -33.96982 425.74043
9240.0000 -34.73588 -34.11714 0.61874 1.70351 -33.88892 425.28572
9245.0000 -34.68415 -33.75421 0.92995 1.70454 -33.88267 422.04630
9250.0000 -34.86525 -33.98804 0.87721 1.70942 -33.85297 444.90549
FREEZING PROCESS: loop number 38 T-loop= 390.00000000000000
main_MD> interactions number 38 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94578 -2.44723 -3.50764
force_rgl> df(natom) -0.89351 2.34911 -0.23352
9255.0000 -34.59771 -33.94606 0.65165 1.70345 -33.88930 456.01095
9260.0000 -34.61973 -33.94471 0.67501 1.69377 -33.94815 399.68231
9265.0000 -34.73018 -33.86823 0.86196 1.69555 -33.93732 427.93409
9270.0000 -34.74176 -33.76881 0.97294 1.71894 -33.79506 455.35798
9275.0000 -34.67848 -33.77701 0.90148 1.69757 -33.92502 410.77874
9280.0000 -34.56983 -33.65232 0.91751 1.71990 -33.78921 447.35366
9285.0000 -34.63879 -33.98084 0.65795 1.70414 -33.88506 422.18911
9290.0000 -34.86823 -34.08625 0.78198 1.70140 -33.90174 420.32650
9295.0000 -34.76290 -34.17194 0.59096 1.65849 -34.16274 371.70881
9300.0000 -34.82047 -34.11725 0.70322 1.65016 -34.21339 339.33234
9305.0000 -34.99999 -34.26715 0.73284 1.66925 -34.09729 380.82468
9310.0000 -34.66358 -34.09280 0.57078 1.64807 -34.22611 347.12846
9315.0000 -34.84665 -34.00905 0.83760 1.69219 -33.95775 415.58203
9320.0000 -34.80475 -33.77165 1.03311 1.69042 -33.96851 404.43477
9325.0000 -34.82575 -33.86866 0.95708 1.69412 -33.94602 412.23339
9330.0000 -34.58164 -33.83221 0.74943 1.66435 -34.12710 371.97276
9335.0000 -34.67215 -34.11209 0.56006 1.67606 -34.05585 374.41731
9340.0000 -34.88952 -34.25684 0.63269 1.67640 -34.05378 372.80829
9345.0000 -34.76714 -33.85950 0.90764 1.65825 -34.16417 350.46834
9350.0000 -34.53697 -33.41559 1.12139 1.74266 -33.65078 485.45464
9355.0000 -34.79179 -33.86269 0.92910 1.70969 -33.85133 443.95551
9360.0000 -34.70443 -33.78400 0.92042 1.71755 -33.80349 507.57594
9365.0000 -34.84045 -34.24408 0.59638 1.67730 -34.04831 402.89566
9370.0000 -34.95301 -34.24891 0.70410 1.64007 -34.27474 338.16549
9375.0000 -34.98929 -34.34295 0.64634 1.65251 -34.19909 358.47629
9380.0000 -35.01734 -34.41792 0.59942 1.62112 -34.39001 298.95810
9385.0000 -35.07273 -34.58130 0.49143 1.62635 -34.35820 323.45521
9390.0000 -34.74583 -34.05692 0.68890 1.64531 -34.24289 354.28062
9395.0000 -35.02503 -34.09905 0.92598 1.66520 -34.12193 383.89543
9400.0000 -34.58550 -33.82276 0.76275 1.69686 -33.92937 438.94926
9405.0000 -34.49880 -33.83467 0.66413 1.71761 -33.80317 459.94293
9410.0000 -34.46333 -33.87859 0.58474 1.69274 -33.95439 413.59650
9415.0000 -34.88601 -34.39113 0.49489 1.64598 -34.23884 327.01369
9420.0000 -34.64745 -33.94236 0.70510 1.65954 -34.15632 367.74653
9425.0000 -35.02034 -34.43050 0.58984 1.66789 -34.10554 373.06876
9430.0000 -34.79830 -34.10642 0.69188 1.63634 -34.29746 336.07790
9435.0000 -34.70602 -34.11403 0.59198 1.66613 -34.11626 371.61757
9440.0000 -34.58197 -33.56484 1.01713 1.71157 -33.83988 413.04094
9445.0000 -34.98156 -34.37925 0.60231 1.69770 -33.92427 400.13987
9450.0000 -34.87903 -34.07708 0.80195 1.63528 -34.30388 305.60923
9455.0000 -34.98048 -34.13673 0.84375 1.68689 -33.99000 399.69197
9460.0000 -34.70721 -33.93102 0.77619 1.70116 -33.90318 423.19882
9465.0000 -34.81005 -34.00733 0.80272 1.68581 -33.99654 393.08438
9470.0000 -34.96393 -34.48094 0.48299 1.65294 -34.19646 356.68466
9475.0000 -34.82928 -34.21113 0.61815 1.64818 -34.22545 355.25322
9480.0000 -34.78134 -34.11612 0.66522 1.64491 -34.24534 349.22195
9485.0000 -34.73805 -33.75007 0.98798 1.67675 -34.05165 393.86889
9490.0000 -34.66145 -34.17271 0.48874 1.68181 -34.02091 405.30637
9495.0000 -34.94657 -34.24033 0.70624 1.66227 -34.13973 375.78728
9500.0000 -34.76890 -34.12133 0.64757 1.65840 -34.16326 357.45521
FREEZING PROCESS: loop number 39 T-loop= 365.00000000000000
main_MD> interactions number 39 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.68360 2.88202 -4.65595
force_rgl> df(natom) -0.54765 0.12825 1.01343
9505.0000 -34.93836 -34.17983 0.75853 1.66620 -34.11586 350.58225
9510.0000 -34.52069 -33.71873 0.80196 1.68760 -33.98570 398.57993
9515.0000 -34.59390 -33.84879 0.74511 1.70334 -33.88993 439.88761
9520.0000 -34.81966 -33.95077 0.86890 1.69483 -33.94169 397.25893
9525.0000 -34.80819 -34.04836 0.75982 1.70450 -33.88289 417.43807
9530.0000 -34.66418 -34.15061 0.51358 1.67162 -34.08289 366.49355
9535.0000 -34.68066 -33.97998 0.70068 1.67555 -34.05895 378.15297
9540.0000 -34.74677 -34.09154 0.65523 1.67868 -34.03992 386.22753
9545.0000 -34.67952 -33.82771 0.85181 1.66581 -34.11821 375.27516
9550.0000 -34.76543 -33.99409 0.77134 1.67778 -34.04543 372.36344
9555.0000 -34.82429 -34.03192 0.79237 1.69335 -33.95068 388.05782
9560.0000 -34.79184 -34.11678 0.67507 1.67976 -34.03334 391.75979
9565.0000 -34.89369 -34.19384 0.69986 1.64673 -34.23425 337.96082
9570.0000 -34.86821 -34.02853 0.83968 1.66820 -34.10368 381.14910
9575.0000 -34.79835 -34.09661 0.70174 1.66992 -34.09322 380.81561
9580.0000 -34.73987 -33.88627 0.85361 1.67700 -34.05014 403.06890
9585.0000 -34.90414 -34.10333 0.80081 1.67050 -34.08966 384.90020
9590.0000 -34.87531 -34.21643 0.65889 1.68664 -33.99150 393.29500
9595.0000 -34.70943 -33.80179 0.90765 1.68329 -34.01187 407.34238
9600.0000 -34.65702 -33.84882 0.80820 1.69205 -33.95863 416.12238
9605.0000 -34.84263 -33.82323 1.01940 1.69396 -33.94699 403.44394
9610.0000 -34.46409 -33.71072 0.75337 1.72482 -33.75932 457.19329
9615.0000 -34.76892 -33.67816 1.09076 1.73022 -33.72646 454.77076
9620.0000 -34.75546 -33.80960 0.94586 1.71179 -33.83855 442.26290
9625.0000 -34.50721 -33.77135 0.73586 1.71129 -33.84158 435.10623
9630.0000 -34.65611 -34.14121 0.51491 1.68042 -34.02937 380.85904
9635.0000 -34.78100 -34.03252 0.74848 1.69996 -33.91050 416.72279
9640.0000 -34.77554 -33.97198 0.80356 1.67663 -34.05241 392.61462
9645.0000 -34.83615 -34.17721 0.65895 1.66066 -34.14955 369.36435
9650.0000 -34.98571 -34.32159 0.66412 1.64196 -34.26330 328.45650
9655.0000 -35.04533 -34.43399 0.61134 1.66006 -34.15317 373.31347
9660.0000 -34.92318 -34.36683 0.55635 1.62611 -34.35965 305.11530
9665.0000 -34.85510 -34.20997 0.64513 1.64026 -34.27363 339.08155
9670.0000 -34.91744 -34.25626 0.66118 1.65230 -34.20038 340.56359
9675.0000 -34.69781 -33.87570 0.82212 1.67296 -34.07473 384.70239
9680.0000 -34.94427 -34.43604 0.50823 1.65633 -34.17586 346.46040
9685.0000 -34.95787 -34.30432 0.65356 1.63898 -34.28139 314.82735
9690.0000 -34.83755 -34.21969 0.61786 1.63456 -34.30826 325.53662
9695.0000 -34.96874 -34.43666 0.53208 1.66677 -34.11237 374.43180
9700.0000 -34.86056 -34.19826 0.66230 1.63073 -34.33154 332.94397
9705.0000 -34.87511 -34.20203 0.67308 1.68364 -34.00979 414.80432
9710.0000 -34.93377 -33.98688 0.94689 1.68495 -34.00180 419.85510
9715.0000 -34.76014 -33.51384 1.24630 1.73762 -33.68146 475.76651
9720.0000 -35.16364 -34.67002 0.49363 1.68492 -34.00197 413.16557
9725.0000 -34.76196 -34.14927 0.61269 1.62154 -34.38749 295.02742
9730.0000 -35.10151 -34.50465 0.59686 1.61463 -34.42952 290.86955
9735.0000 -34.93238 -34.28219 0.65019 1.62912 -34.34138 309.71675
9740.0000 -34.74317 -34.18045 0.56272 1.63728 -34.29172 309.82527
9745.0000 -34.82357 -34.11931 0.70426 1.65074 -34.20989 322.27818
9750.0000 -34.85994 -34.14550 0.71444 1.67395 -34.06867 371.70594
FREEZING PROCESS: loop number 40 T-loop= 340.00000000000000
main_MD> interactions number 40 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83030 -1.13349 -0.53469
force_rgl> df(natom) -0.10150 -0.39960 1.67374
9755.0000 -34.91284 -34.14899 0.76385 1.66883 -34.09987 365.21146
9760.0000 -34.70109 -34.03437 0.66672 1.66598 -34.11717 363.36663
9765.0000 -34.87301 -34.46346 0.40955 1.63821 -34.28606 325.29739
9770.0000 -34.94807 -34.27690 0.67116 1.61041 -34.45516 281.90661
9775.0000 -34.69467 -34.05683 0.63784 1.64572 -34.24042 332.32285
9780.0000 -34.71016 -34.04439 0.66577 1.66486 -34.12399 368.29114
9785.0000 -34.72532 -34.08696 0.63835 1.66972 -34.09440 376.92714
9790.0000 -35.08240 -34.53173 0.55067 1.63001 -34.33598 293.92547
9795.0000 -35.00622 -34.36541 0.64081 1.61606 -34.42079 291.00164
9800.0000 -34.98052 -34.40240 0.57812 1.62565 -34.36245 308.20902
9805.0000 -35.04144 -34.37094 0.67051 1.62655 -34.35700 301.85124
9810.0000 -34.92903 -34.30393 0.62510 1.62417 -34.37149 306.59870
9815.0000 -34.92959 -34.48453 0.44505 1.61895 -34.40324 288.88546
9820.0000 -34.93437 -34.24046 0.69391 1.64811 -34.22587 345.60836
9825.0000 -34.93475 -34.32833 0.60643 1.65779 -34.16699 386.74477
9830.0000 -34.61713 -33.91645 0.70068 1.66185 -34.14230 387.83195
9835.0000 -34.79214 -34.09566 0.69648 1.67167 -34.08255 382.44123
9840.0000 -35.04679 -34.29542 0.75137 1.65009 -34.21383 341.16181
9845.0000 -34.82956 -34.29299 0.53657 1.61841 -34.40653 299.02758
9850.0000 -34.66531 -34.06822 0.59709 1.64395 -34.25114 339.54922
9855.0000 -35.01137 -34.23284 0.77853 1.65867 -34.16163 351.22075
9860.0000 -34.80634 -34.37702 0.42932 1.62881 -34.34324 322.31627
9865.0000 -35.12074 -34.46040 0.66034 1.62568 -34.36227 301.50228
9870.0000 -34.75383 -34.11923 0.63459 1.67432 -34.06644 378.11759
9875.0000 -34.83448 -34.08759 0.74689 1.64125 -34.26759 331.53730
9880.0000 -34.84445 -33.98925 0.85520 1.65435 -34.18789 357.44817
9885.0000 -34.98596 -34.36208 0.62388 1.66004 -34.15329 368.39120
9890.0000 -34.96080 -34.22573 0.73507 1.64228 -34.26130 341.60139
9895.0000 -34.91098 -34.08959 0.82138 1.65347 -34.19324 344.89123
9900.0000 -34.94486 -34.42595 0.51892 1.63152 -34.32674 297.82571
9905.0000 -35.14537 -34.59725 0.54812 1.61203 -34.44532 273.77924
9910.0000 -34.96438 -34.16445 0.79993 1.62009 -34.39627 278.72655
9915.0000 -34.52570 -33.84671 0.67899 1.67428 -34.06667 381.62825
9920.0000 -35.05365 -34.25231 0.80133 1.66612 -34.11631 385.31206
9925.0000 -34.96526 -34.33860 0.62666 1.64513 -34.24397 329.86094
9930.0000 -34.95725 -34.23213 0.72512 1.62558 -34.36290 310.16978
9935.0000 -34.86712 -33.98049 0.88664 1.67054 -34.08943 380.73494
9940.0000 -34.85403 -34.18468 0.66935 1.66665 -34.11308 361.98618
9945.0000 -34.67321 -33.94236 0.73086 1.66064 -34.14964 352.19180
9950.0000 -34.91786 -34.36057 0.55729 1.67762 -34.04637 380.84440
9955.0000 -34.74181 -33.95089 0.79092 1.65993 -34.15398 369.39198
9960.0000 -34.84148 -34.22510 0.61638 1.68056 -34.02850 392.55334
9965.0000 -34.96035 -34.45835 0.50201 1.61080 -34.45280 277.89505
9970.0000 -35.13165 -34.40542 0.72624 1.62121 -34.38949 312.50703
9975.0000 -34.84735 -33.93452 0.91283 1.68552 -33.99835 418.92992
9980.0000 -35.18787 -34.58479 0.60308 1.62411 -34.37185 316.12617
9985.0000 -35.08500 -34.39047 0.69453 1.59407 -34.55452 264.58810
9990.0000 -34.84995 -34.39306 0.45688 1.61249 -34.44253 292.71305
9995.0000 -34.85861 -34.33371 0.52490 1.63424 -34.31023 325.42462
10000.0000 -35.08677 -34.42717 0.65959 1.62327 -34.37692 307.65177
FREEZING PROCESS: loop number 41 T-loop= 315.00000000000000
main_MD> interactions number 41 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35664 0.31883 -1.82962
force_rgl> df(natom) -1.70802 -0.98091 -1.39046
10005.0000 -35.05718 -34.54407 0.51310 1.59095 -34.57352 275.80097
10010.0000 -35.04656 -34.40686 0.63970 1.64563 -34.24094 340.96205
10015.0000 -34.96473 -34.30863 0.65610 1.63483 -34.30665 313.71060
10020.0000 -34.92737 -34.44920 0.47816 1.63282 -34.31888 314.94728
10025.0000 -34.95733 -34.48337 0.47396 1.62717 -34.35322 300.58437
10030.0000 -34.92151 -34.08568 0.83584 1.59964 -34.52064 278.06349
10035.0000 -34.98144 -34.41211 0.56932 1.63610 -34.29890 335.41030
10040.0000 -35.07824 -34.29074 0.78751 1.63078 -34.33125 324.34619
10045.0000 -35.09150 -34.58342 0.50807 1.61648 -34.41827 290.18514
10050.0000 -35.05785 -34.43313 0.62472 1.60680 -34.47712 281.32953
10055.0000 -34.97492 -34.40840 0.56653 1.61813 -34.40819 307.56736
10060.0000 -35.04824 -34.56938 0.47887 1.60820 -34.46859 281.01615
10065.0000 -34.92559 -34.21080 0.71479 1.61346 -34.43662 294.54776
10070.0000 -35.00832 -34.33690 0.67141 1.64818 -34.22544 330.34270
10075.0000 -34.86417 -34.09585 0.76832 1.66323 -34.13389 364.14987
10080.0000 -34.98530 -34.07817 0.90712 1.66479 -34.12441 381.95821
10085.0000 -34.85754 -34.36310 0.49444 1.64368 -34.25280 346.01462
10090.0000 -35.00103 -34.30559 0.69544 1.61372 -34.43505 286.21274
10095.0000 -34.89782 -34.35079 0.54703 1.64364 -34.25304 322.82142
10100.0000 -34.81279 -34.06561 0.74717 1.65445 -34.18732 349.73940
10105.0000 -35.04482 -34.29331 0.75151 1.66478 -34.12447 391.86337
10110.0000 -34.94757 -34.23814 0.70943 1.64179 -34.26428 332.85500
10115.0000 -35.04207 -34.33853 0.70354 1.62222 -34.38334 302.42133
10120.0000 -34.99214 -34.34983 0.64231 1.63915 -34.28034 322.49312
10125.0000 -35.01395 -34.42616 0.58779 1.62290 -34.37921 300.70176
10130.0000 -34.84314 -34.28384 0.55929 1.62098 -34.39089 289.67387
10135.0000 -34.86718 -34.18236 0.68482 1.63882 -34.28237 334.59229
10140.0000 -34.76760 -34.36844 0.39916 1.63226 -34.32225 307.95045
10145.0000 -35.14058 -34.55911 0.58147 1.61508 -34.42673 285.48126
10150.0000 -34.93231 -34.59783 0.33448 1.58850 -34.58841 253.11757
10155.0000 -35.02245 -34.46894 0.55351 1.60043 -34.51587 277.04527
10160.0000 -34.70339 -34.14028 0.56312 1.62964 -34.33818 311.87470
10165.0000 -34.97116 -34.45132 0.51984 1.63139 -34.32758 338.39936
10170.0000 -35.12096 -34.48292 0.63804 1.62300 -34.37861 301.59888
10175.0000 -34.88459 -34.19481 0.68979 1.66159 -34.14387 361.63526
10180.0000 -34.77353 -34.21745 0.55608 1.65147 -34.20544 334.77376
10185.0000 -34.58982 -34.02384 0.56598 1.66651 -34.11395 387.08706
10190.0000 -34.75539 -34.31297 0.44242 1.65724 -34.17033 343.02777
10195.0000 -34.99502 -34.46592 0.52910 1.62469 -34.36829 304.30269
10200.0000 -35.01093 -34.32096 0.68997 1.63075 -34.33145 312.42463
10205.0000 -34.82708 -34.08194 0.74514 1.64102 -34.26898 339.38612
10210.0000 -34.99161 -34.07021 0.92141 1.67470 -34.06412 390.30500
10215.0000 -34.89914 -34.38561 0.51353 1.66018 -34.15247 364.60764
10220.0000 -34.91100 -34.43880 0.47219 1.64834 -34.22448 365.12604
10225.0000 -34.96520 -34.30472 0.66048 1.63770 -34.28916 336.95024
10230.0000 -34.92624 -34.31076 0.61548 1.64748 -34.22968 331.52258
10235.0000 -34.95788 -34.38054 0.57734 1.61786 -34.40983 294.93796
10240.0000 -34.83518 -34.08966 0.74552 1.65753 -34.16860 356.29211
10245.0000 -35.01992 -34.40331 0.61661 1.63449 -34.30870 317.97539
10250.0000 -34.97287 -34.51549 0.45738 1.60668 -34.47786 286.99526
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 19.1648587 [s].
main_MD> Deallocating global variables
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