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nanoparticlesims/growth_Melting_Silver_ICO_3269/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: 1750
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> -7.5785882040807925E-002 -1.4262039234125249E-002 1.0435243071424813E-002 initial drift of cluster / NP1 for coalescence
init> 0.42391295112178012 0.34998943893770451 0.25916945264386038 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6943536297451667E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.51344 -10.53508 -0.19485
force_rgl> df(natom) 2.37569 -0.32844 4.58560
preparo> THERMALIZATION PROCESS AT 1186.7625612350314
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -28.892238051111025 1.8799634703926180 -30.772201521503643 6.0920160877075903E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1159.0000000000000
main_MD> interactions number 1 at Temperature= 1159.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -11.32278 -6.04989 -12.54625
force_rgl> df(natom) 1.63676 0.26629 0.74234
5.0000 -31.53295 -28.51960 3.01335 2.53723 -28.81807 1319.36285
10.0000 -31.81855 -29.29056 2.52798 2.44945 -29.35195 1196.56331
15.0000 -32.21391 -30.32738 1.88653 2.38478 -29.74528 1233.19839
20.0000 -31.87128 -30.48354 1.38774 2.27847 -30.39186 1104.38980
25.0000 -31.80472 -30.08663 1.71809 2.31369 -30.17770 1159.26247
30.0000 -32.88554 -30.95100 1.93454 2.23211 -30.67386 1091.79160
35.0000 -32.31925 -30.05206 2.26718 2.26999 -30.44347 1044.28454
40.0000 -32.61912 -29.63246 2.98666 2.30659 -30.22083 1137.95301
45.0000 -33.56317 -30.96415 2.59902 2.30019 -30.25979 1184.83072
50.0000 -32.33542 -30.45782 1.87760 2.23503 -30.65608 1083.20345
55.0000 -31.58109 -29.61500 1.96609 2.37925 -29.77893 1195.78776
60.0000 -31.63655 -29.49390 2.14265 2.40041 -29.65021 1262.78189
65.0000 -31.92336 -29.80767 2.11569 2.36097 -29.89008 1216.81393
70.0000 -31.69428 -29.02876 2.66552 2.50831 -28.99395 1418.50823
75.0000 -32.45972 -30.11292 2.34680 2.41587 -29.55620 1305.17849
80.0000 -31.96351 -29.77943 2.18408 2.39136 -29.70530 1293.17053
85.0000 -31.66162 -28.36563 3.29599 2.50290 -29.02686 1327.06306
90.0000 -31.78844 -29.23512 2.55332 2.48065 -29.16218 1318.97687
95.0000 -32.06057 -30.06815 1.99242 2.37261 -29.81933 1188.28922
100.0000 -32.80073 -30.82169 1.97904 2.29895 -30.26730 1142.92538
105.0000 -32.96284 -30.74733 2.21551 2.33258 -30.06280 1132.76301
110.0000 -32.39937 -29.56659 2.83278 2.35386 -29.93334 1193.52701
115.0000 -32.26204 -29.57523 2.68681 2.42603 -29.49441 1311.06303
120.0000 -32.31995 -29.59903 2.72092 2.36828 -29.84564 1156.48356
125.0000 -32.16200 -29.71340 2.44860 2.33865 -30.02585 1161.88284
130.0000 -30.89441 -28.05523 2.83918 2.50341 -29.02374 1234.55395
135.0000 -31.67495 -28.91555 2.75940 2.61120 -28.36814 1410.04752
140.0000 -32.54495 -30.22187 2.32308 2.39251 -29.69829 1255.52159
145.0000 -31.88765 -29.46698 2.42066 2.37761 -29.78890 1241.39442
150.0000 -31.94734 -30.06840 1.87893 2.37673 -29.79424 1250.45264
155.0000 -32.02712 -29.74288 2.28424 2.39451 -29.68610 1213.73720
160.0000 -32.75570 -30.65664 2.09906 2.27159 -30.43372 1126.78882
165.0000 -32.75731 -31.19336 1.56395 2.19500 -30.89958 1095.77499
170.0000 -32.88187 -30.91204 1.96983 2.15213 -31.16028 978.99390
175.0000 -32.74492 -29.17146 3.57346 2.34616 -29.98017 1171.08616
180.0000 -31.92353 -30.08761 1.83592 2.35275 -29.94008 1223.18030
185.0000 -32.71831 -30.54786 2.17045 2.29915 -30.26608 1132.00996
190.0000 -32.26943 -28.93434 3.33509 2.31066 -30.19613 1171.11775
195.0000 -32.15050 -29.66635 2.48415 2.44940 -29.35228 1314.72364
200.0000 -32.36675 -28.75907 3.60769 2.50646 -29.00523 1319.04192
205.0000 -31.13039 -29.27883 1.85156 2.48554 -29.13244 1239.08586
210.0000 -31.90732 -30.10767 1.79965 2.36709 -29.85287 1161.17860
215.0000 -31.90935 -29.49448 2.41486 2.30475 -30.23207 1197.23550
220.0000 -32.82177 -30.92754 1.89423 2.30479 -30.23178 1037.64759
225.0000 -32.16053 -30.44547 1.71506 2.25511 -30.53399 1078.81802
230.0000 -32.37507 -30.30394 2.07113 2.34177 -30.00688 1154.09007
235.0000 -32.16435 -29.98624 2.17811 2.26929 -30.44773 1170.92998
240.0000 -32.46264 -30.24813 2.21451 2.25241 -30.55038 1073.52249
245.0000 -32.29313 -30.07596 2.21717 2.29780 -30.27429 1138.83117
250.0000 -32.83485 -30.00690 2.82794 2.32450 -30.11194 1118.14816
FREEZING PROCESS: loop number 2 T-loop= 1134.0000000000000
main_MD> interactions number 2 at Temperature= 1134.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.98697 3.64583 2.61725
force_rgl> df(natom) 0.03570 1.36818 0.10961
255.0000 -32.03487 -29.03360 3.00127 2.38251 -29.75910 1239.64362
260.0000 -31.08603 -28.73830 2.34773 2.50173 -29.03396 1302.46628
265.0000 -33.11303 -31.00760 2.10543 2.35819 -29.90702 1135.35070
270.0000 -32.31065 -30.06982 2.24083 2.27544 -30.41034 1114.67136
275.0000 -32.36383 -29.61636 2.74747 2.37622 -29.79735 1238.50924
280.0000 -32.07675 -29.66033 2.41643 2.46167 -29.27761 1306.99404
285.0000 -31.37593 -28.49908 2.87686 2.57859 -28.56652 1356.67561
290.0000 -31.64385 -29.08603 2.55782 2.54926 -28.74490 1434.18274
295.0000 -31.57071 -29.01224 2.55847 2.55442 -28.71350 1351.63675
300.0000 -32.10366 -30.37991 1.72375 2.32931 -30.08268 1169.68278
305.0000 -32.39594 -30.12288 2.27307 2.33057 -30.07503 1242.29033
310.0000 -32.95895 -30.86343 2.09551 2.35654 -29.91703 1252.69571
315.0000 -33.32093 -30.20396 3.11698 2.30725 -30.21682 1223.23506
320.0000 -32.27472 -30.21467 2.06005 2.27417 -30.41806 1084.33692
325.0000 -32.43295 -29.38465 3.04830 2.36562 -29.86182 1218.54111
330.0000 -31.49745 -29.14284 2.35461 2.41649 -29.55243 1259.71014
335.0000 -31.89692 -29.64498 2.25194 2.38607 -29.73745 1198.94140
340.0000 -31.65285 -29.56791 2.08494 2.49918 -29.04948 1322.93562
345.0000 -31.80005 -30.07717 1.72288 2.29360 -30.29988 1064.67674
350.0000 -31.66229 -29.99483 1.66746 2.31725 -30.15602 1051.68502
355.0000 -32.63992 -29.90310 2.73682 2.34619 -29.98000 1143.23254
360.0000 -32.58142 -29.98044 2.60098 2.30961 -30.20248 1155.53190
365.0000 -32.64700 -29.61884 3.02815 2.37761 -29.78888 1272.52150
370.0000 -31.69254 -29.14153 2.55102 2.44948 -29.35177 1353.41421
375.0000 -31.53064 -29.24498 2.28566 2.46472 -29.25908 1302.64902
380.0000 -33.00060 -30.52894 2.47166 2.37710 -29.79199 1225.24967
385.0000 -31.16838 -29.41755 1.75083 2.32052 -30.13612 1183.13650
390.0000 -32.01719 -30.30249 1.71470 2.32025 -30.13778 1127.29632
395.0000 -32.90038 -31.22720 1.67318 2.24687 -30.58411 1110.21369
400.0000 -32.89281 -30.66436 2.22845 2.20890 -30.81503 1114.17430
405.0000 -31.49709 -29.81863 1.67846 2.28491 -30.35269 1038.29763
410.0000 -31.71971 -30.46817 1.25154 2.34667 -29.97710 1229.04025
415.0000 -32.74203 -30.50197 2.24007 2.24475 -30.59696 1106.82598
420.0000 -32.01015 -30.34093 1.66922 2.24917 -30.57011 1123.53465
425.0000 -32.50906 -30.81563 1.69342 2.33620 -30.04075 1108.70573
430.0000 -32.92300 -30.99579 1.92721 2.17460 -31.02366 1019.70360
435.0000 -32.19775 -30.18571 2.01204 2.21286 -30.79094 991.23237
440.0000 -31.14324 -28.92932 2.21392 2.41496 -29.56174 1207.11877
445.0000 -31.94978 -29.43322 2.51656 2.48344 -29.14520 1343.91075
450.0000 -32.22499 -28.98533 3.23966 2.47033 -29.22495 1377.93738
455.0000 -31.73717 -29.67152 2.06565 2.44127 -29.40173 1261.46458
460.0000 -31.98166 -28.81618 3.16548 2.44406 -29.38475 1313.55465
465.0000 -32.21016 -29.80126 2.40890 2.35007 -29.95641 1126.70167
470.0000 -32.87576 -30.40187 2.47389 2.32074 -30.13481 1151.31180
475.0000 -32.79338 -30.89172 1.90166 2.24666 -30.58537 974.11184
480.0000 -32.24830 -29.74917 2.49913 2.33730 -30.03407 1165.15476
485.0000 -32.11925 -29.83293 2.28632 2.37865 -29.78254 1306.13349
490.0000 -31.60756 -29.80288 1.80468 2.36586 -29.86034 1172.20773
495.0000 -32.04132 -29.17213 2.86919 2.43328 -29.45030 1267.41461
500.0000 -32.47727 -29.88539 2.59188 2.41345 -29.57091 1272.42980
FREEZING PROCESS: loop number 3 T-loop= 1109.0000000000000
main_MD> interactions number 3 at Temperature= 1109.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60964 0.74870 -0.88533
force_rgl> df(natom) 0.18617 -2.58081 4.83400
505.0000 -32.90803 -30.78174 2.12630 2.29431 -30.29554 1181.90231
510.0000 -32.97157 -30.59086 2.38070 2.33713 -30.03511 1218.62299
515.0000 -33.12756 -30.85289 2.27466 2.11732 -31.37205 990.79808
520.0000 -32.93425 -30.70028 2.23398 2.16857 -31.06029 1091.70818
525.0000 -32.34594 -30.76776 1.57818 2.21352 -30.78693 1081.28794
530.0000 -31.17052 -29.35689 1.81363 2.35310 -29.93800 1179.22707
535.0000 -32.28129 -29.95710 2.32419 2.44113 -29.40253 1262.35323
540.0000 -32.47269 -30.84262 1.63007 2.28722 -30.33866 1171.92974
545.0000 -33.95500 -31.46758 2.48741 2.28058 -30.37905 1158.96180
550.0000 -33.06804 -30.50146 2.56658 2.17465 -31.02336 1127.73454
555.0000 -31.51646 -29.32599 2.19048 2.27241 -30.42873 1203.59215
560.0000 -31.34973 -29.67404 1.67569 2.34463 -29.98947 1192.10051
565.0000 -32.31501 -30.38099 1.93402 2.38749 -29.72881 1210.68220
570.0000 -32.02435 -30.21439 1.80996 2.30043 -30.25829 1145.47877
575.0000 -33.14137 -31.00028 2.14109 2.26056 -30.50084 1155.50690
580.0000 -32.63641 -30.85577 1.78063 2.24896 -30.57138 995.16875
585.0000 -32.58870 -30.07465 2.51405 2.29756 -30.27577 1207.34554
590.0000 -32.77061 -29.51066 3.25995 2.34797 -29.96916 1285.83530
595.0000 -32.51008 -29.24050 3.26958 2.41900 -29.53714 1249.96729
600.0000 -32.25192 -29.73868 2.51325 2.35643 -29.91770 1235.03818
605.0000 -31.24136 -28.90418 2.33718 2.38039 -29.77198 1270.44833
610.0000 -32.61603 -29.92033 2.69570 2.35852 -29.90501 1234.99631
615.0000 -33.19535 -31.17344 2.02190 2.28493 -30.35261 1133.02647
620.0000 -31.78153 -30.64121 1.14032 2.18009 -30.99024 1053.54697
625.0000 -32.72607 -31.23456 1.49151 2.24224 -30.61227 1108.98853
630.0000 -31.48128 -29.88578 1.59550 2.24774 -30.57881 1047.51288
635.0000 -32.64044 -30.21120 2.42924 2.31847 -30.14858 1125.40092
640.0000 -33.20358 -30.74101 2.46257 2.23307 -30.66805 1124.39128
645.0000 -33.08802 -31.07196 2.01607 2.20684 -30.82758 1036.56109
650.0000 -32.32855 -30.60347 1.72509 2.24936 -30.56896 1010.26196
655.0000 -32.53957 -30.14417 2.39540 2.31240 -30.18552 1090.16767
660.0000 -32.29432 -30.47909 1.81523 2.26804 -30.45532 1164.57031
665.0000 -32.96919 -30.47972 2.48947 2.27515 -30.41207 1093.76044
670.0000 -33.19854 -31.23729 1.96125 2.25783 -30.51745 1102.44306
675.0000 -32.16082 -30.33384 1.82698 2.26577 -30.46911 1042.43533
680.0000 -32.89112 -30.62030 2.27082 2.30187 -30.24958 1053.06392
685.0000 -31.81699 -29.08879 2.72820 2.39531 -29.68121 1264.54186
690.0000 -32.56583 -30.31415 2.25168 2.38371 -29.75178 1160.24670
695.0000 -32.53790 -30.55976 1.97815 2.24106 -30.61941 1059.05592
700.0000 -33.50734 -30.89927 2.60808 2.24283 -30.60867 1102.43116
705.0000 -32.60652 -30.17025 2.43627 2.18364 -30.96865 1065.58081
710.0000 -32.69732 -30.51566 2.18166 2.27360 -30.42148 1132.21825
715.0000 -32.15018 -29.71725 2.43293 2.29772 -30.27481 1070.03452
720.0000 -32.22820 -29.89761 2.33058 2.33416 -30.05319 1167.34898
725.0000 -32.27125 -29.79447 2.47678 2.29574 -30.28686 1135.40369
730.0000 -32.27436 -30.37724 1.89712 2.36215 -29.88290 1160.15452
735.0000 -33.05193 -30.27771 2.77422 2.26948 -30.44655 995.02536
740.0000 -33.47195 -31.36557 2.10638 2.22027 -30.74589 1007.57655
745.0000 -32.36861 -30.85664 1.51197 2.18447 -30.96361 903.72702
750.0000 -32.91549 -31.12457 1.79092 2.25123 -30.55759 1162.01763
FREEZING PROCESS: loop number 4 T-loop= 1084.0000000000000
main_MD> interactions number 4 at Temperature= 1084.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58257 -0.78216 -1.65915
force_rgl> df(natom) 2.98513 2.25300 -0.90516
755.0000 -32.94071 -31.01472 1.92599 2.15957 -31.11504 959.36295
760.0000 -32.86417 -30.97721 1.88696 2.13791 -31.24678 994.17485
765.0000 -32.52249 -30.82207 1.70042 2.15697 -31.13090 872.00521
770.0000 -33.09188 -31.44922 1.64265 2.24673 -30.58495 1209.55308
775.0000 -32.69082 -31.10916 1.58166 2.13185 -31.28368 971.96448
780.0000 -31.63725 -29.51607 2.12118 2.21837 -30.75745 950.24710
785.0000 -31.49160 -30.04300 1.44860 2.37761 -29.78892 1139.93677
790.0000 -32.25552 -30.19847 2.05705 2.30530 -30.22868 1072.42868
795.0000 -32.41178 -29.52209 2.88969 2.39576 -29.67847 1253.23545
800.0000 -32.00744 -30.15559 1.85186 2.44189 -29.39792 1270.57415
805.0000 -31.91351 -29.63998 2.27353 2.37428 -29.80917 1153.45140
810.0000 -31.54214 -28.02604 3.51610 2.57030 -28.61694 1380.51454
815.0000 -32.07889 -28.94286 3.13603 2.64160 -28.18328 1498.55265
820.0000 -32.10430 -29.71328 2.39102 2.35277 -29.93999 1190.49216
825.0000 -31.98182 -30.39885 1.58297 2.40053 -29.64950 1259.10382
830.0000 -32.52065 -30.58930 1.93135 2.27099 -30.43740 1154.37736
835.0000 -33.58644 -31.57143 2.01501 2.14964 -31.17544 1000.02700
840.0000 -33.34629 -30.89224 2.45405 2.16644 -31.07328 1020.03229
845.0000 -32.45455 -30.56965 1.88490 2.20534 -30.83669 1019.31076
850.0000 -32.22598 -29.71177 2.51421 2.37370 -29.81268 1176.11544
855.0000 -32.63257 -29.63719 2.99539 2.43107 -29.46372 1280.69514
860.0000 -32.05354 -29.24025 2.81329 2.40484 -29.62329 1253.64806
865.0000 -31.25336 -28.72982 2.52354 2.57829 -28.56830 1432.27812
870.0000 -32.51378 -30.57741 1.93638 2.37766 -29.78861 1124.77161
875.0000 -31.28002 -29.22043 2.05959 2.30990 -30.20074 1188.59024
880.0000 -31.66325 -28.95829 2.70496 2.51526 -28.95171 1374.24704
885.0000 -32.27357 -29.82642 2.44715 2.42985 -29.47119 1259.51746
890.0000 -32.87193 -29.84981 3.02212 2.37114 -29.82823 1283.45893
895.0000 -32.26918 -30.35733 1.91185 2.27087 -30.43812 1190.83126
900.0000 -33.64636 -31.08016 2.56620 2.24673 -30.58495 1170.11276
905.0000 -33.13805 -30.87450 2.26356 2.25093 -30.55938 990.61273
910.0000 -32.92613 -30.17644 2.74968 2.31987 -30.14008 1139.23755
915.0000 -33.86042 -31.71813 2.14229 2.17163 -31.04173 995.25118
920.0000 -33.10855 -30.66639 2.44216 2.11713 -31.37318 956.63773
925.0000 -31.65453 -30.15280 1.50173 2.31197 -30.18812 1121.84190
930.0000 -32.66845 -30.88177 1.78667 2.28659 -30.34253 1187.47282
935.0000 -32.29182 -30.49095 1.80087 2.25865 -30.51241 1095.63256
940.0000 -32.44192 -29.78886 2.65306 2.32104 -30.13299 1015.00750
945.0000 -31.87126 -29.45800 2.41326 2.44524 -29.37757 1349.90258
950.0000 -32.02063 -29.82123 2.19940 2.42444 -29.50408 1268.02210
955.0000 -30.66268 -28.23086 2.43183 2.51098 -28.97772 1271.79447
960.0000 -31.88112 -30.00619 1.87492 2.57111 -28.61201 1567.59392
965.0000 -31.52365 -29.93761 1.58604 2.42219 -29.51776 1317.40755
970.0000 -33.71299 -30.51181 3.20118 2.30365 -30.23875 1079.15342
975.0000 -33.33076 -31.28746 2.04330 2.11168 -31.40631 906.22629
980.0000 -33.01880 -31.33412 1.68468 2.15246 -31.15832 978.42856
985.0000 -33.30198 -31.76219 1.53979 2.05761 -31.73517 928.04080
990.0000 -34.02264 -32.48573 1.53691 2.04618 -31.80471 876.23493
995.0000 -33.27242 -31.70035 1.57207 2.00475 -32.05673 804.04222
1000.0000 -32.56247 -30.93410 1.62837 2.13948 -31.23726 932.93374
FREEZING PROCESS: loop number 5 T-loop= 1059.0000000000000
main_MD> interactions number 5 at Temperature= 1059.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24058 6.21646 7.30514
force_rgl> df(natom) 4.30731 9.17536 -1.00063
1005.0000 -33.09725 -30.73696 2.36029 2.20054 -30.86584 1034.63829
1010.0000 -32.07606 -29.87450 2.20156 2.31348 -30.17893 1157.86331
1015.0000 -32.93211 -30.40766 2.52445 2.25512 -30.53390 1068.19351
1020.0000 -32.18014 -30.17813 2.00201 2.35096 -29.95101 1052.08144
1025.0000 -32.62277 -30.97670 1.64608 2.27581 -30.40805 976.83573
1030.0000 -33.00224 -31.55481 1.44743 2.12558 -31.32181 931.30078
1035.0000 -32.96748 -30.80571 2.16177 2.12765 -31.30919 956.63808
1040.0000 -33.79690 -31.59290 2.20400 2.10958 -31.41909 981.09776
1045.0000 -33.25708 -31.62171 1.63537 2.12109 -31.34910 865.57317
1050.0000 -32.83575 -31.24126 1.59449 2.11226 -31.40283 878.51065
1055.0000 -33.14007 -30.90501 2.23506 2.11325 -31.39680 947.23430
1060.0000 -32.73650 -30.04072 2.69579 2.25187 -30.55367 1058.55106
1065.0000 -32.88718 -31.02054 1.86664 2.26174 -30.49365 1148.80708
1070.0000 -31.84320 -29.92102 1.92218 2.29748 -30.27626 1046.34102
1075.0000 -32.64100 -31.12791 1.51309 2.26803 -30.45536 1117.96639
1080.0000 -33.25884 -31.63993 1.61891 2.04797 -31.79383 868.63917
1085.0000 -33.26861 -31.31338 1.95523 2.12510 -31.32472 887.76814
1090.0000 -33.69836 -31.96468 1.73369 2.08926 -31.54270 887.80748
1095.0000 -33.34923 -31.32717 2.02207 2.06658 -31.68065 905.75886
1100.0000 -32.95705 -30.69263 2.26441 2.21953 -30.75039 1080.57786
1105.0000 -34.13899 -31.98038 2.15861 2.20392 -30.84531 1102.35189
1110.0000 -33.10874 -30.69237 2.41637 2.20411 -30.84418 1030.70705
1115.0000 -31.76926 -30.23684 1.53242 2.32607 -30.10236 1105.25429
1120.0000 -32.11511 -29.31153 2.80358 2.43415 -29.44502 1274.72738
1125.0000 -32.44435 -30.52182 1.92253 2.29746 -30.27640 1098.93031
1130.0000 -32.74458 -30.51697 2.22761 2.26791 -30.45610 1064.82662
1135.0000 -32.52045 -30.55353 1.96693 2.22202 -30.73520 1007.59698
1140.0000 -32.57837 -30.54365 2.03471 2.27365 -30.42118 1133.32242
1145.0000 -32.40980 -30.34828 2.06152 2.20581 -30.83383 1097.16303
1150.0000 -32.78223 -30.54870 2.23353 2.30459 -30.23302 1092.79901
1155.0000 -33.43243 -31.13626 2.29616 2.22470 -30.71894 1041.43160
1160.0000 -33.03818 -31.35839 1.67980 2.10754 -31.43154 872.83394
1165.0000 -32.93077 -30.52197 2.40880 2.16693 -31.07028 1018.60275
1170.0000 -33.29269 -30.82578 2.46691 2.20891 -30.81495 1072.84749
1175.0000 -33.15642 -30.46134 2.69509 2.24898 -30.57123 1113.58873
1180.0000 -32.62918 -30.87934 1.74983 2.36081 -29.89106 1197.83833
1185.0000 -31.80983 -30.08713 1.72270 2.30809 -30.21170 1071.77660
1190.0000 -32.83947 -30.89360 1.94587 2.20980 -30.80955 1063.68195
1195.0000 -31.93294 -29.83409 2.09886 2.30489 -30.23122 1140.07012
1200.0000 -31.88315 -30.18611 1.69704 2.37683 -29.79362 1147.53664
1205.0000 -33.61934 -31.86240 1.75694 2.19486 -30.90044 1029.62096
1210.0000 -34.08705 -31.73417 2.35288 2.03145 -31.89433 899.67621
1215.0000 -33.49269 -31.94104 1.55165 2.07485 -31.63037 936.51118
1220.0000 -34.07179 -32.15069 1.92110 2.06956 -31.66255 994.19354
1225.0000 -33.79128 -32.36521 1.42607 2.01111 -32.01803 935.23376
1230.0000 -33.19166 -32.40019 0.79147 2.03911 -31.84772 900.06239
1235.0000 -33.01982 -31.46279 1.55703 2.01258 -32.00906 841.34567
1240.0000 -32.61712 -30.39105 2.22606 2.14412 -31.20900 957.02950
1245.0000 -33.50800 -31.46980 2.03820 2.22720 -30.70372 1028.14150
1250.0000 -33.26890 -31.35281 1.91609 2.11794 -31.36824 979.44440
FREEZING PROCESS: loop number 6 T-loop= 1034.0000000000000
main_MD> interactions number 6 at Temperature= 1034.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14052 -0.94150 1.28753
force_rgl> df(natom) 0.73973 0.35595 -3.05316
1255.0000 -33.01239 -31.28916 1.72323 2.16046 -31.10966 926.10239
1260.0000 -32.18897 -29.50453 2.68444 2.18712 -30.94752 978.13291
1265.0000 -32.28962 -30.30040 1.98922 2.29883 -30.26805 1180.75273
1270.0000 -32.43137 -30.43611 1.99526 2.26023 -30.50282 1041.28566
1275.0000 -32.66679 -30.86548 1.80131 2.29534 -30.28929 1164.97618
1280.0000 -32.93740 -31.30553 1.63187 2.14152 -31.22486 1043.78244
1285.0000 -33.86604 -31.43550 2.43054 2.11803 -31.36769 978.29707
1290.0000 -32.60277 -30.92988 1.67289 2.09528 -31.50606 960.05267
1295.0000 -32.10752 -30.30622 1.80130 2.35339 -29.93622 1093.78284
1300.0000 -32.37695 -30.24411 2.13285 2.30898 -30.20630 1204.37933
1305.0000 -32.58791 -30.84918 1.73873 2.26932 -30.44753 1058.96133
1310.0000 -32.29280 -29.87814 2.41466 2.27398 -30.41919 1120.67508
1315.0000 -32.58521 -30.45395 2.13127 2.31565 -30.16575 1163.33184
1320.0000 -32.62428 -30.63163 1.99265 2.23318 -30.66736 1087.04130
1325.0000 -33.65368 -31.02125 2.63243 2.23458 -30.65882 1146.13025
1330.0000 -33.17193 -30.56466 2.60727 2.23713 -30.64333 1156.94594
1335.0000 -32.13719 -29.75654 2.38065 2.25686 -30.52332 1028.02952
1340.0000 -33.42842 -31.00423 2.42419 2.22236 -30.73319 1153.63013
1345.0000 -33.86025 -31.76132 2.09894 2.10741 -31.43234 909.12537
1350.0000 -33.61398 -31.37999 2.23399 2.08137 -31.59071 882.57216
1355.0000 -33.14494 -32.15925 0.98569 2.10773 -31.43039 928.62297
1360.0000 -32.78497 -30.91129 1.87369 2.08000 -31.59905 808.66302
1365.0000 -33.77673 -31.94731 1.82943 2.14827 -31.18380 1017.72465
1370.0000 -33.23670 -31.36710 1.86960 2.07925 -31.60359 879.92065
1375.0000 -32.71168 -30.55424 2.15744 2.15647 -31.13390 922.77516
1380.0000 -32.22085 -30.92135 1.29950 2.17685 -31.00997 964.82120
1385.0000 -32.66962 -31.38069 1.28892 2.10805 -31.42841 777.73719
1390.0000 -32.53779 -30.56366 1.97413 2.16499 -31.08211 1009.95817
1395.0000 -32.00799 -30.09721 1.91077 2.27867 -30.39065 1120.57098
1400.0000 -32.86195 -30.67506 2.18689 2.21940 -30.75118 1113.62893
1405.0000 -33.17000 -30.77791 2.39209 2.25589 -30.52924 1085.26190
1410.0000 -32.86600 -30.59268 2.27332 2.23062 -30.68290 1099.88250
1415.0000 -33.00926 -30.88956 2.11970 2.20780 -30.82169 1131.81640
1420.0000 -32.72177 -30.80405 1.91772 2.25107 -30.55852 1156.01607
1425.0000 -32.29077 -30.27138 2.01939 2.20727 -30.82495 956.29622
1430.0000 -32.80799 -30.55578 2.25222 2.32281 -30.12217 1168.23450
1435.0000 -32.15493 -30.07590 2.07903 2.26308 -30.48551 1032.07716
1440.0000 -33.01801 -29.84912 3.16889 2.30736 -30.21615 1109.69848
1445.0000 -33.13625 -30.43891 2.69734 2.28865 -30.32995 1166.55854
1450.0000 -34.13945 -31.80499 2.33446 2.11626 -31.37845 949.74368
1455.0000 -34.09982 -32.42954 1.67028 2.03203 -31.89079 893.49360
1460.0000 -33.48469 -31.32365 2.16104 2.05514 -31.75023 911.11420
1465.0000 -33.01724 -31.33495 1.68228 2.13983 -31.23511 999.64126
1470.0000 -32.18369 -30.03869 2.14499 2.23041 -30.68419 1078.92050
1475.0000 -32.90225 -30.88004 2.02221 2.20771 -30.82224 946.49940
1480.0000 -31.67632 -29.13956 2.53676 2.31335 -30.17972 1159.77407
1485.0000 -31.94315 -28.91085 3.03230 2.41967 -29.53307 1204.67721
1490.0000 -32.27941 -29.16788 3.11153 2.47075 -29.22238 1297.35369
1495.0000 -31.41935 -29.83532 1.58403 2.38487 -29.74474 1129.35526
1500.0000 -33.06674 -30.81457 2.25217 2.34223 -30.00409 1226.74393
FREEZING PROCESS: loop number 7 T-loop= 1009.0000000000000
main_MD> interactions number 7 at Temperature= 1009.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.65915 -0.92730 -1.03869
force_rgl> df(natom) -0.31514 1.90548 1.90902
1505.0000 -33.02267 -30.53982 2.48285 2.20150 -30.86003 972.69414
1510.0000 -33.37498 -31.14105 2.23393 2.15651 -31.13367 1035.04218
1515.0000 -32.99224 -31.16935 1.82289 2.15154 -31.16393 1046.83843
1520.0000 -33.18624 -31.15570 2.03054 2.15508 -31.14234 962.38706
1525.0000 -31.73266 -30.15789 1.57477 2.25002 -30.56495 1065.77469
1530.0000 -31.83398 -29.88219 1.95178 2.43119 -29.46299 1243.08326
1535.0000 -32.48774 -30.28139 2.20634 2.32415 -30.11405 1211.54374
1540.0000 -32.78393 -30.67689 2.10704 2.26318 -30.48487 1093.39460
1545.0000 -32.56413 -30.34660 2.21752 2.32589 -30.10347 1120.26978
1550.0000 -33.66903 -31.48320 2.18583 2.22600 -30.71102 980.42199
1555.0000 -32.58935 -31.61527 0.97408 2.09592 -31.50218 940.13788
1560.0000 -32.99393 -30.46205 2.53188 2.14804 -31.18517 900.51882
1565.0000 -32.34134 -30.75040 1.59094 2.23045 -30.68393 1019.00873
1570.0000 -32.54002 -30.81065 1.72937 2.23085 -30.68153 972.40106
1575.0000 -32.52053 -30.73412 1.78641 2.18774 -30.94371 985.45413
1580.0000 -32.70542 -31.10711 1.59832 2.21522 -30.77658 1001.25599
1585.0000 -32.34347 -30.20126 2.14220 2.23219 -30.67336 1001.47940
1590.0000 -33.38020 -31.67414 1.70606 2.15859 -31.12099 1007.20568
1595.0000 -32.86641 -30.69111 2.17530 2.15838 -31.12227 1035.81975
1600.0000 -31.41928 -29.13873 2.28054 2.34487 -29.98803 1033.57036
1605.0000 -32.37523 -29.84191 2.53333 2.39670 -29.67281 1266.89279
1610.0000 -32.79240 -30.32211 2.47028 2.36453 -29.86844 1278.94432
1615.0000 -32.94561 -30.59095 2.35466 2.29674 -30.28078 1153.02385
1620.0000 -32.12186 -30.86182 1.26005 2.22658 -30.70751 1031.57138
1625.0000 -32.39776 -30.61388 1.78388 2.25884 -30.51130 1027.30898
1630.0000 -33.21377 -30.53622 2.67755 2.24472 -30.59717 1016.79526
1635.0000 -31.86895 -30.06284 1.80611 2.24821 -30.57596 1088.88341
1640.0000 -33.03163 -30.32614 2.70549 2.32137 -30.13098 1150.48105
1645.0000 -32.10463 -30.67291 1.43172 2.24421 -30.60024 1100.39677
1650.0000 -33.59432 -31.64111 1.95321 2.22493 -30.71751 1188.35220
1655.0000 -33.55191 -31.94545 1.60646 2.08301 -31.58071 929.16014
1660.0000 -34.00751 -32.28567 1.72184 2.00825 -32.03540 847.51856
1665.0000 -33.98516 -32.81433 1.17083 1.95304 -32.37124 774.37266
1670.0000 -33.82163 -31.66095 2.16067 2.02488 -31.93425 917.08166
1675.0000 -33.36279 -31.29591 2.06688 2.09657 -31.49825 977.78248
1680.0000 -33.22133 -31.37770 1.84363 2.14359 -31.21224 974.78275
1685.0000 -32.74216 -29.66337 3.07879 2.25285 -30.54772 1115.64606
1690.0000 -33.13988 -31.22040 1.91948 2.26605 -30.46744 1189.41883
1695.0000 -32.91457 -30.19896 2.71562 2.22333 -30.72724 986.93609
1700.0000 -32.48038 -30.51730 1.96308 2.35724 -29.91281 1158.60873
1705.0000 -32.26442 -30.29776 1.96666 2.24647 -30.58652 968.45351
1710.0000 -33.25437 -31.30078 1.95359 2.27594 -30.40728 1103.06924
1715.0000 -32.27777 -31.05704 1.22074 2.16865 -31.05986 1045.60190
1720.0000 -32.11174 -30.02114 2.09060 2.29010 -30.32113 1077.86875
1725.0000 -32.69727 -30.96563 1.73164 2.31052 -30.19693 1193.31694
1730.0000 -33.04969 -31.08705 1.96264 2.14438 -31.20744 871.28035
1735.0000 -33.27041 -30.57761 2.69281 2.12313 -31.33671 980.39195
1740.0000 -31.91668 -30.15591 1.76077 2.25183 -30.55389 1078.37487
1745.0000 -32.64741 -30.59312 2.05429 2.27303 -30.42494 1053.10183
1750.0000 -32.62770 -31.09835 1.52935 2.25991 -30.50477 1046.45648
FREEZING PROCESS: loop number 8 T-loop= 984.00000000000000
main_MD> interactions number 8 at Temperature= 984.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41811 0.67141 -2.74118
force_rgl> df(natom) 0.80732 -2.99451 1.73855
1755.0000 -33.43468 -32.15242 1.28226 2.07003 -31.65965 874.57963
1760.0000 -33.92836 -32.62283 1.30553 1.90711 -32.65058 684.18490
1765.0000 -33.48917 -31.20934 2.27983 2.03558 -31.86919 870.47529
1770.0000 -32.69865 -30.77251 1.92614 2.17843 -31.00037 1021.11725
1775.0000 -33.24144 -30.95110 2.29034 2.16007 -31.11200 981.55813
1780.0000 -33.61910 -30.88904 2.73006 2.19095 -30.92418 1066.49056
1785.0000 -33.78134 -31.71628 2.06506 2.09618 -31.50062 967.90243
1790.0000 -32.96906 -31.12171 1.84735 2.13026 -31.29335 914.64277
1795.0000 -32.60270 -30.30699 2.29571 2.19712 -30.88665 1110.17599
1800.0000 -33.09813 -30.91213 2.18600 2.25103 -30.55876 1039.92650
1805.0000 -32.81995 -30.71490 2.10505 2.23578 -30.65152 1044.14894
1810.0000 -33.26043 -31.16597 2.09446 2.18245 -30.97587 1007.87717
1815.0000 -33.65947 -32.19000 1.46947 2.06210 -31.70790 864.50406
1820.0000 -33.15423 -31.74988 1.40435 2.03164 -31.89316 897.97301
1825.0000 -33.56659 -31.55234 2.01424 2.10108 -31.47083 965.11470
1830.0000 -33.37381 -31.62174 1.75208 2.10444 -31.45035 986.85986
1835.0000 -33.08668 -30.73681 2.34987 2.17910 -30.99626 1050.55627
1840.0000 -32.83976 -31.53292 1.30684 2.15220 -31.15986 1019.47225
1845.0000 -33.31694 -31.70660 1.61035 2.04433 -31.81599 804.39431
1850.0000 -33.30742 -31.26002 2.04740 2.03580 -31.86784 830.23977
1855.0000 -32.98868 -30.89407 2.09462 2.07157 -31.65029 842.81172
1860.0000 -33.18571 -31.49793 1.68779 2.14213 -31.22116 970.08311
1865.0000 -33.59235 -31.92923 1.66312 2.03075 -31.89854 862.11949
1870.0000 -33.68676 -31.94709 1.73967 2.02019 -31.96281 793.67640
1875.0000 -33.75100 -32.27242 1.47858 2.01765 -31.97823 846.16425
1880.0000 -33.82838 -32.55275 1.27563 1.90547 -32.66054 743.11412
1885.0000 -33.17485 -31.62223 1.55261 1.99571 -32.11171 825.36597
1890.0000 -33.27738 -31.59799 1.67940 2.10219 -31.46407 963.89232
1895.0000 -33.99603 -32.24617 1.74987 2.01257 -32.00914 809.30008
1900.0000 -33.34682 -32.01166 1.33516 1.96006 -32.32850 780.15036
1905.0000 -32.78537 -31.77980 1.00557 2.05934 -31.72467 866.82319
1910.0000 -33.31898 -31.66440 1.65458 2.02160 -31.95423 790.66207
1915.0000 -32.83741 -30.71297 2.12444 2.19627 -30.89183 1041.10483
1920.0000 -33.06743 -31.39495 1.67247 2.16402 -31.08800 936.86593
1925.0000 -33.22090 -30.58834 2.63256 2.18265 -30.97466 888.69793
1930.0000 -32.89849 -30.92813 1.97037 2.20174 -30.85856 954.01854
1935.0000 -33.11452 -31.21151 1.90300 2.12965 -31.29704 876.91555
1940.0000 -32.66817 -31.20127 1.46690 2.11691 -31.37453 914.29401
1945.0000 -31.88241 -30.18136 1.70105 2.22877 -30.69416 1084.71632
1950.0000 -32.96377 -31.67362 1.29015 2.13264 -31.27883 956.69056
1955.0000 -32.98303 -31.15345 1.82957 2.22038 -30.74519 988.32108
1960.0000 -33.19469 -31.21376 1.98094 2.15210 -31.16049 955.28555
1965.0000 -34.00563 -32.63734 1.36828 2.00894 -32.03122 842.53131
1970.0000 -33.43328 -32.11522 1.31806 1.97609 -32.23104 784.84192
1975.0000 -33.35193 -31.58369 1.76824 2.07363 -31.63776 864.33526
1980.0000 -33.69016 -32.13453 1.55563 1.99692 -32.10431 820.28589
1985.0000 -32.39554 -30.44437 1.95117 2.19258 -30.91426 987.72813
1990.0000 -32.64820 -30.69286 1.95534 2.25431 -30.53884 1193.03187
1995.0000 -33.40768 -31.30518 2.10250 2.16394 -31.08850 1034.55535
2000.0000 -33.24595 -31.94166 1.30429 2.10062 -31.47359 879.91398
FREEZING PROCESS: loop number 9 T-loop= 959.00000000000000
main_MD> interactions number 9 at Temperature= 959.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.41032 4.14649 -0.41088
force_rgl> df(natom) -0.40752 1.29193 -1.05869
2005.0000 -32.95641 -31.34185 1.61456 2.04116 -31.83525 751.60536
2010.0000 -33.47345 -31.58788 1.88557 2.13703 -31.25213 960.46675
2015.0000 -33.28029 -31.71625 1.56404 2.06667 -31.68010 813.53778
2020.0000 -32.27379 -30.64863 1.62516 2.12322 -31.33613 1011.35939
2025.0000 -32.89943 -31.15741 1.74203 2.20606 -30.83230 1032.81694
2030.0000 -33.02055 -30.76285 2.25770 2.22513 -30.71628 1003.14591
2035.0000 -31.51257 -28.90753 2.60504 2.41328 -29.57197 1247.96665
2040.0000 -32.40066 -30.39349 2.00716 2.38592 -29.73838 1208.93462
2045.0000 -33.18574 -30.79025 2.39548 2.21473 -30.77958 1039.98764
2050.0000 -33.32171 -31.43230 1.88940 2.13916 -31.23917 1010.36055
2055.0000 -33.50271 -31.93294 1.56977 2.02317 -31.94464 870.48103
2060.0000 -33.60376 -31.82893 1.77482 2.04664 -31.80189 884.98244
2065.0000 -33.19039 -31.33777 1.85262 2.13832 -31.24430 938.05936
2070.0000 -34.16517 -31.70673 2.45844 2.04288 -31.82480 920.32998
2075.0000 -32.84290 -30.76128 2.08162 2.13349 -31.27367 986.53979
2080.0000 -33.89878 -31.82059 2.07819 2.16401 -31.08804 1034.48118
2085.0000 -32.25021 -29.97378 2.27643 2.19348 -30.90880 1182.52564
2090.0000 -32.49616 -30.57573 1.92043 2.30212 -30.24803 1132.71019
2095.0000 -33.53346 -31.32158 2.21189 2.19727 -30.88576 967.13572
2100.0000 -33.70625 -31.90971 1.79654 2.04187 -31.83096 946.26860
2105.0000 -33.55999 -32.12765 1.43233 2.00707 -32.04258 858.74625
2110.0000 -33.08701 -31.45184 1.63516 2.07144 -31.65106 906.73010
2115.0000 -33.33699 -31.52625 1.81074 2.07681 -31.61844 886.09945
2120.0000 -32.66300 -31.14101 1.52199 2.13035 -31.29278 889.02138
2125.0000 -33.26077 -31.45112 1.80964 2.06880 -31.66713 887.26948
2130.0000 -32.95680 -31.04612 1.91068 2.11649 -31.37708 881.01169
2135.0000 -33.26671 -31.39649 1.87021 2.12566 -31.32132 961.06636
2140.0000 -33.79277 -31.79552 1.99725 2.09149 -31.52916 851.71118
2145.0000 -33.19160 -31.39478 1.79682 2.06490 -31.69083 894.59846
2150.0000 -32.67666 -31.28483 1.39183 2.10496 -31.44718 996.52348
2155.0000 -33.75371 -31.53439 2.21932 2.13106 -31.28846 966.93429
2160.0000 -32.96111 -31.18125 1.77986 2.11997 -31.35591 934.06197
2165.0000 -33.11226 -31.15287 1.95940 2.14581 -31.19873 952.81849
2170.0000 -33.52568 -31.68065 1.84503 2.10594 -31.44123 1003.39370
2175.0000 -33.60001 -31.33513 2.26488 2.14276 -31.21731 976.92982
2180.0000 -33.44936 -31.55288 1.89649 2.06295 -31.70270 855.10439
2185.0000 -33.45858 -31.59461 1.86397 2.05298 -31.76335 927.07490
2190.0000 -33.71808 -32.19172 1.52636 2.03272 -31.88659 884.30922
2195.0000 -33.81414 -32.39546 1.41869 1.95801 -32.34101 754.93320
2200.0000 -32.86220 -31.51032 1.35188 2.04952 -31.78442 854.22239
2205.0000 -33.42397 -31.17726 2.24671 2.11393 -31.39266 1010.47014
2210.0000 -32.79625 -30.27258 2.52367 2.14205 -31.22163 1020.03767
2215.0000 -32.71376 -30.12464 2.58912 2.25207 -30.55244 1042.17411
2220.0000 -33.81943 -31.36942 2.45001 2.23345 -30.66570 1115.35369
2225.0000 -33.32372 -32.09727 1.22646 2.06389 -31.69698 991.81383
2230.0000 -33.97560 -32.10781 1.86780 1.99608 -32.10946 846.21890
2235.0000 -33.19179 -31.47609 1.71569 2.10797 -31.42888 924.53127
2240.0000 -33.52760 -32.24132 1.28628 2.08082 -31.59402 822.96292
2245.0000 -33.15986 -31.18153 1.97833 2.08074 -31.59455 862.86847
2250.0000 -33.55211 -31.28332 2.26880 2.12015 -31.35481 940.77354
FREEZING PROCESS: loop number 10 T-loop= 934.00000000000000
main_MD> interactions number 10 at Temperature= 934.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28582 -3.00579 0.74219
force_rgl> df(natom) -0.45623 -2.07422 1.95370
2255.0000 -33.35053 -32.12686 1.22366 2.08421 -31.57342 885.44467
2260.0000 -33.16382 -31.34652 1.81730 2.04331 -31.82217 891.60769
2265.0000 -33.98162 -31.88892 2.09270 2.05761 -31.73520 880.28488
2270.0000 -34.12005 -32.08276 2.03729 1.99436 -32.11992 833.56402
2275.0000 -33.63872 -32.30181 1.33691 1.97219 -32.25474 817.36597
2280.0000 -33.58822 -31.81177 1.77645 1.96427 -32.30294 750.30870
2285.0000 -33.20664 -31.55876 1.64788 2.03574 -31.86822 881.07638
2290.0000 -33.75533 -32.00487 1.75046 2.11585 -31.38099 1003.75836
2295.0000 -34.29781 -32.39665 1.90116 2.03688 -31.86128 903.31365
2300.0000 -33.63832 -32.61052 1.02780 1.92400 -32.54786 698.57009
2305.0000 -33.14948 -31.82636 1.32312 2.04145 -31.83347 923.21317
2310.0000 -33.32128 -31.74754 1.57374 2.10807 -31.42831 1011.07656
2315.0000 -32.82135 -30.92667 1.89467 2.18866 -30.93815 1033.18206
2320.0000 -33.40262 -31.52644 1.87618 2.06468 -31.69219 883.39384
2325.0000 -34.21353 -32.67501 1.53852 1.95700 -32.34713 765.70195
2330.0000 -34.19608 -32.44741 1.74867 1.93908 -32.45611 796.13910
2335.0000 -33.83039 -32.54587 1.28451 1.97611 -32.23092 889.33389
2340.0000 -33.49747 -31.60960 1.88788 2.01361 -32.00279 847.87296
2345.0000 -33.78401 -31.99658 1.78742 2.03006 -31.90277 868.69609
2350.0000 -33.03921 -31.79006 1.24914 2.02900 -31.90918 848.80322
2355.0000 -33.64797 -31.44303 2.20494 2.13813 -31.24545 836.85158
2360.0000 -32.54759 -30.93744 1.61014 2.11859 -31.36429 924.30205
2365.0000 -33.46783 -30.96406 2.50377 2.17829 -31.00121 1066.23607
2370.0000 -33.85224 -31.08100 2.77124 2.23657 -30.64674 1132.47813
2375.0000 -31.90097 -30.29707 1.60390 2.12971 -31.29670 922.66488
2380.0000 -33.16617 -31.30229 1.86388 2.17228 -31.03777 871.25892
2385.0000 -32.62246 -30.77918 1.84329 2.23719 -30.64294 1055.22636
2390.0000 -33.12229 -31.36361 1.75869 2.20171 -30.85873 1002.90517
2395.0000 -33.00784 -30.98544 2.02240 2.09782 -31.49063 896.94102
2400.0000 -33.57943 -31.72762 1.85181 2.16955 -31.05435 955.84212
2405.0000 -32.87704 -30.96470 1.91234 2.08061 -31.59530 945.85708
2410.0000 -32.86804 -31.63210 1.23593 2.20113 -30.86229 916.41345
2415.0000 -33.37427 -31.92006 1.45422 2.11507 -31.38571 1036.18137
2420.0000 -33.29593 -31.95564 1.34029 2.04191 -31.83071 898.98801
2425.0000 -33.09736 -30.64321 2.45416 2.14379 -31.21104 940.20207
2430.0000 -32.24810 -30.36077 1.88733 2.23050 -30.68364 1015.82635
2435.0000 -32.93042 -30.52553 2.40489 2.21553 -30.77470 1086.25173
2440.0000 -32.61724 -30.76941 1.84783 2.14319 -31.21469 951.40491
2445.0000 -33.77235 -31.82598 1.94637 2.13972 -31.23581 990.81217
2450.0000 -33.43241 -31.08237 2.35004 2.20189 -30.85769 1098.00786
2455.0000 -33.14320 -30.98363 2.15957 2.18972 -30.93170 931.60339
2460.0000 -32.17767 -30.40123 1.77644 2.21457 -30.78055 943.15151
2465.0000 -32.81162 -30.77332 2.03830 2.24539 -30.59309 1045.01932
2470.0000 -33.08998 -30.33286 2.75713 2.28796 -30.33418 1142.54420
2475.0000 -31.83235 -29.42161 2.41074 2.35587 -29.92110 1262.45021
2480.0000 -31.90608 -29.33190 2.57419 2.44838 -29.35846 1231.59561
2485.0000 -32.51188 -30.38504 2.12684 2.29738 -30.27689 1184.95372
2490.0000 -33.08779 -30.99662 2.09117 2.25840 -30.51397 995.09001
2495.0000 -33.13179 -31.23149 1.90031 2.14585 -31.19852 960.02765
2500.0000 -32.68772 -30.74514 1.94259 2.16705 -31.06959 988.61769
FREEZING PROCESS: loop number 11 T-loop= 909.00000000000000
main_MD> interactions number 11 at Temperature= 909.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78397 -1.05677 -1.13945
force_rgl> df(natom) -1.94406 1.89696 -1.53295
2505.0000 -33.07481 -31.55732 1.51749 2.13903 -31.23999 888.59980
2510.0000 -33.72087 -31.70877 2.01210 2.11072 -31.41215 925.93935
2515.0000 -33.49832 -31.50032 1.99801 2.11287 -31.39910 939.28073
2520.0000 -33.55536 -31.71857 1.83679 2.07801 -31.61111 952.10473
2525.0000 -32.94973 -31.42973 1.51999 2.07320 -31.64037 890.32188
2530.0000 -34.28669 -32.75346 1.53324 1.99296 -32.12844 775.66200
2535.0000 -33.22969 -32.34015 0.88954 1.85720 -32.95416 625.15175
2540.0000 -33.39760 -31.66805 1.72956 2.07760 -31.61363 907.71759
2545.0000 -32.69885 -30.75591 1.94294 2.13882 -31.24126 897.19213
2550.0000 -33.16248 -31.97078 1.19171 2.10056 -31.47399 866.59101
2555.0000 -33.06710 -30.78047 2.28663 2.13384 -31.27155 995.48891
2560.0000 -33.32364 -30.93511 2.38853 2.21375 -30.78551 1109.72551
2565.0000 -32.73241 -31.31931 1.41309 2.11953 -31.35858 974.22578
2570.0000 -33.09495 -31.31381 1.78114 2.14985 -31.17420 954.54926
2575.0000 -32.89393 -30.97199 1.92194 2.10780 -31.42995 802.02296
2580.0000 -33.11002 -31.12729 1.98273 2.23918 -30.63085 1113.80027
2585.0000 -32.48688 -31.18403 1.30285 2.18822 -30.94078 984.18734
2590.0000 -32.91614 -31.36619 1.54995 2.08930 -31.54247 949.64243
2595.0000 -33.23408 -31.62867 1.60541 2.05944 -31.72408 912.53302
2600.0000 -33.54923 -31.80862 1.74060 2.03952 -31.84525 821.51928
2605.0000 -33.39270 -32.18257 1.21013 2.03039 -31.90076 925.41894
2610.0000 -33.80405 -32.21898 1.58507 1.95501 -32.35921 777.79958
2615.0000 -33.46161 -31.58102 1.88059 2.01840 -31.97366 840.85986
2620.0000 -33.13236 -31.49684 1.63552 2.11236 -31.40218 906.99640
2625.0000 -33.38629 -31.41104 1.97525 2.09100 -31.53211 821.14447
2630.0000 -33.96595 -31.88421 2.08175 2.12686 -31.31403 916.88858
2635.0000 -33.37395 -31.15629 2.21766 2.11528 -31.38443 961.68503
2640.0000 -32.86365 -30.76920 2.09446 2.14723 -31.19011 992.47631
2645.0000 -33.06295 -31.01921 2.04374 2.19535 -30.89742 994.24214
2650.0000 -33.28559 -31.56430 1.72129 2.09537 -31.50551 824.28298
2655.0000 -33.57811 -31.32763 2.25049 2.14287 -31.21661 1017.22165
2660.0000 -33.80701 -32.00645 1.80057 2.08557 -31.56511 819.52210
2665.0000 -33.48027 -31.37585 2.10442 2.06775 -31.67353 891.11928
2670.0000 -33.78499 -31.89202 1.89297 2.15241 -31.15858 898.96404
2675.0000 -33.67110 -32.25738 1.41372 1.99373 -32.12370 805.09918
2680.0000 -33.22681 -31.49918 1.72763 2.11628 -31.37836 933.59574
2685.0000 -33.04718 -30.71214 2.33503 2.18514 -30.95951 925.32175
2690.0000 -33.87569 -32.59931 1.27638 2.13177 -31.28417 929.94358
2695.0000 -33.32411 -31.14404 2.18007 2.01908 -31.96952 869.54788
2700.0000 -33.15949 -30.87910 2.28039 2.16759 -31.06630 943.13620
2705.0000 -34.68949 -32.96646 1.72303 2.02103 -31.95771 844.13901
2710.0000 -33.83513 -31.80518 2.02994 1.96585 -32.29330 761.24551
2715.0000 -33.94256 -32.41067 1.53189 2.02736 -31.91920 908.18556
2720.0000 -33.60047 -32.08910 1.51137 1.92462 -32.54410 710.89789
2725.0000 -34.04246 -32.78737 1.25508 1.92361 -32.55022 710.84324
2730.0000 -34.31211 -33.03442 1.27769 1.93232 -32.49722 780.37339
2735.0000 -33.14039 -31.09598 2.04442 1.96692 -32.28678 802.56003
2740.0000 -33.23145 -31.45670 1.77475 2.17246 -31.03668 1093.28966
2745.0000 -33.51081 -31.01849 2.49232 2.15527 -31.14123 959.98629
2750.0000 -32.29013 -30.49898 1.79115 2.19911 -30.87455 1086.51782
FREEZING PROCESS: loop number 12 T-loop= 884.00000000000000
main_MD> interactions number 12 at Temperature= 884.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07674 -0.69222 -2.09037
force_rgl> df(natom) -0.97532 0.92345 -4.77109
2755.0000 -32.61239 -30.46257 2.14982 2.25821 -30.51510 1008.00219
2760.0000 -32.82852 -30.51886 2.30966 2.31092 -30.19449 1068.85725
2765.0000 -33.18545 -31.35311 1.83234 2.17599 -31.01517 917.82593
2770.0000 -33.18408 -31.06022 2.12387 2.11711 -31.37330 1001.74031
2775.0000 -33.55801 -31.89133 1.66668 2.10558 -31.44343 959.82224
2780.0000 -33.27031 -31.66221 1.60809 2.13152 -31.28566 1072.70493
2785.0000 -32.79494 -31.86379 0.93115 2.04606 -31.80545 838.86758
2790.0000 -33.25399 -31.87396 1.38003 2.10810 -31.42811 927.40639
2795.0000 -33.90189 -32.32268 1.57921 2.01777 -31.97749 857.00698
2800.0000 -33.25596 -31.55844 1.69752 1.99448 -32.11919 796.02428
2805.0000 -33.52339 -31.87398 1.64940 2.06870 -31.66776 939.86668
2810.0000 -33.19540 -31.07131 2.12409 2.07898 -31.60525 894.01358
2815.0000 -34.30751 -32.69731 1.61020 1.99611 -32.10929 820.58075
2820.0000 -33.64472 -32.04418 1.60054 1.96509 -32.29790 761.58468
2825.0000 -33.64714 -31.91204 1.73510 1.99568 -32.11189 799.33383
2830.0000 -33.85758 -31.87633 1.98125 2.08015 -31.59812 928.07566
2835.0000 -33.49922 -31.45983 2.03939 2.09099 -31.53221 985.17985
2840.0000 -33.70718 -32.18156 1.52562 2.01549 -31.99137 852.04661
2845.0000 -33.76434 -32.23622 1.52812 1.96739 -32.28396 796.79355
2850.0000 -34.02553 -32.21308 1.81245 1.99134 -32.13827 815.53193
2855.0000 -33.57728 -31.19396 2.38332 2.09787 -31.49032 955.45342
2860.0000 -33.05276 -31.19672 1.85604 2.19369 -30.90751 1030.65788
2865.0000 -33.54679 -32.09385 1.45294 2.11790 -31.36850 936.59955
2870.0000 -33.66198 -32.31522 1.34676 1.97089 -32.26264 880.53456
2875.0000 -33.86667 -32.71813 1.14854 1.94499 -32.42017 803.02453
2880.0000 -34.47042 -32.99666 1.47376 1.91283 -32.61577 720.60320
2885.0000 -34.23162 -32.54240 1.68922 1.88813 -32.76601 664.47881
2890.0000 -33.64267 -32.42061 1.22206 1.94277 -32.43367 766.89502
2895.0000 -33.92479 -32.13516 1.78963 2.00730 -32.04118 860.08991
2900.0000 -33.80993 -32.30790 1.50203 2.00466 -32.05726 883.20060
2905.0000 -33.38324 -31.77443 1.60881 2.01192 -32.01309 787.17508
2910.0000 -33.50006 -31.78790 1.71216 2.03458 -31.87530 903.65285
2915.0000 -32.53797 -31.23605 1.30192 2.07946 -31.60227 863.89805
2920.0000 -33.69853 -31.82553 1.87299 2.09205 -31.52574 926.41271
2925.0000 -34.22105 -32.50295 1.71810 1.98267 -32.19098 848.50378
2930.0000 -34.15710 -32.42374 1.73336 1.95929 -32.33323 807.25352
2935.0000 -32.86422 -30.74056 2.12365 2.08936 -31.54212 922.69070
2940.0000 -32.60162 -31.05904 1.54258 2.18997 -30.93016 1014.61138
2945.0000 -34.28073 -32.53500 1.74573 1.99641 -32.10744 863.89869
2950.0000 -33.19883 -31.39000 1.80883 2.01986 -31.96482 850.87541
2955.0000 -33.26386 -31.38706 1.87680 2.14432 -31.20778 931.02562
2960.0000 -33.59479 -31.37536 2.21943 2.13200 -31.28276 946.48005
2965.0000 -32.66413 -31.28208 1.38205 2.10781 -31.42987 912.90705
2970.0000 -33.40973 -31.13649 2.27324 2.15694 -31.13104 792.09120
2975.0000 -33.27153 -31.71583 1.55570 2.11483 -31.38717 915.99942
2980.0000 -33.71359 -32.10942 1.60418 2.04106 -31.83585 881.34662
2985.0000 -33.22764 -31.62169 1.60596 2.02419 -31.93847 816.74240
2990.0000 -33.14587 -31.93555 1.21032 2.06536 -31.68806 881.83581
2995.0000 -33.91927 -32.66411 1.25516 2.02763 -31.91754 835.88137
3000.0000 -34.60150 -32.62953 1.97197 1.88737 -32.77064 711.96201
FREEZING PROCESS: loop number 13 T-loop= 859.00000000000000
main_MD> interactions number 13 at Temperature= 859.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53608 -3.58792 1.93327
force_rgl> df(natom) -0.44658 -0.97582 0.73966
3005.0000 -34.21826 -32.93589 1.28237 1.91811 -32.58368 764.77857
3010.0000 -34.36729 -32.61754 1.74975 1.92943 -32.51485 727.08578
3015.0000 -33.76164 -32.39609 1.36556 1.83789 -33.07157 611.18786
3020.0000 -34.40479 -32.65205 1.75273 1.97749 -32.22253 814.73852
3025.0000 -33.82553 -31.98575 1.83979 1.91369 -32.61053 751.59168
3030.0000 -33.28000 -31.71531 1.56469 2.05634 -31.74291 868.28044
3035.0000 -33.43993 -31.76961 1.67032 2.04618 -31.80473 893.56168
3040.0000 -34.09995 -32.19940 1.90055 1.99724 -32.10237 792.02600
3045.0000 -33.08030 -31.15167 1.92862 2.06077 -31.71596 907.68124
3050.0000 -33.31323 -31.57369 1.73954 2.10720 -31.43361 825.75158
3055.0000 -33.94828 -31.93498 2.01330 2.09492 -31.50825 937.66642
3060.0000 -33.60625 -32.16208 1.44417 1.98186 -32.19590 788.64726
3065.0000 -33.85738 -32.52852 1.32886 1.91580 -32.59769 720.05065
3070.0000 -33.30277 -31.62380 1.67898 1.95925 -32.33344 791.11676
3075.0000 -33.71576 -31.89271 1.82306 2.05578 -31.74632 934.64215
3080.0000 -33.38265 -31.70243 1.68022 2.02189 -31.95248 785.11155
3085.0000 -32.93643 -31.40242 1.53401 2.06519 -31.68909 869.27061
3090.0000 -33.58203 -31.87212 1.70991 2.07773 -31.61285 802.02472
3095.0000 -33.46497 -32.05757 1.40740 1.99311 -32.12752 824.30183
3100.0000 -33.15291 -31.24843 1.90448 2.02348 -31.94277 837.81844
3105.0000 -33.48633 -32.03589 1.45044 2.03076 -31.89849 845.18384
3110.0000 -32.78607 -31.53384 1.25224 1.98679 -32.16596 844.48823
3115.0000 -33.58242 -31.66095 1.92147 2.11330 -31.39650 940.06457
3120.0000 -32.84566 -31.15789 1.68777 2.10800 -31.42873 918.61864
3125.0000 -33.18942 -31.41196 1.77745 2.09721 -31.49437 891.21827
3130.0000 -33.41158 -31.85878 1.55280 2.09964 -31.47956 873.77672
3135.0000 -32.67505 -31.28400 1.39105 2.08719 -31.55528 847.23532
3140.0000 -33.23103 -30.89439 2.33664 2.16801 -31.06370 971.51825
3145.0000 -33.54137 -31.51160 2.02977 2.13852 -31.24308 1009.33350
3150.0000 -32.81331 -31.74136 1.07195 2.04793 -31.79408 875.66743
3155.0000 -32.74908 -31.74605 1.00303 2.09680 -31.49685 835.53668
3160.0000 -33.40001 -31.11647 2.28354 2.17881 -30.99805 895.02313
3165.0000 -33.43754 -31.60497 1.83257 2.10593 -31.44129 942.47303
3170.0000 -33.44262 -31.96531 1.47730 2.11583 -31.38112 989.22402
3175.0000 -33.69993 -32.00945 1.69048 2.03376 -31.88024 842.26051
3180.0000 -34.63614 -33.13149 1.50465 1.93813 -32.46192 759.85412
3185.0000 -33.88118 -31.56485 2.31633 1.97373 -32.24538 790.38486
3190.0000 -33.22871 -30.71529 2.51342 2.11001 -31.41649 978.18886
3195.0000 -33.42454 -31.95154 1.47300 2.19868 -30.87717 1117.38724
3200.0000 -32.97270 -31.52379 1.44890 1.98425 -32.18141 855.68065
3205.0000 -32.23924 -30.78962 1.44962 2.13214 -31.28190 893.35927
3210.0000 -32.73781 -29.84948 2.88833 2.28633 -30.34409 1146.42482
3215.0000 -33.23595 -31.59204 1.64392 2.21561 -30.77418 1094.22766
3220.0000 -33.90852 -32.47569 1.43283 2.01464 -31.99654 853.09938
3225.0000 -33.89966 -31.81378 2.08588 1.96561 -32.29479 757.85566
3230.0000 -32.71700 -30.99277 1.72423 2.18397 -30.96662 949.91006
3235.0000 -32.57908 -31.14181 1.43727 2.09959 -31.47990 890.46535
3240.0000 -33.85399 -32.17732 1.67667 2.07153 -31.65056 747.25621
3245.0000 -34.56206 -32.81890 1.74316 1.89760 -32.70844 723.11889
3250.0000 -34.42526 -32.70627 1.71899 1.90249 -32.67869 698.97604
FREEZING PROCESS: loop number 14 T-loop= 834.00000000000000
main_MD> interactions number 14 at Temperature= 834.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57836 0.47800 -1.41220
force_rgl> df(natom) 1.42544 -1.82430 0.86569
3255.0000 -33.60864 -31.85315 1.75549 1.92616 -32.53469 704.05043
3260.0000 -32.85966 -31.70954 1.15012 2.02524 -31.93210 873.82567
3265.0000 -33.80320 -32.80011 1.00310 1.95796 -32.34129 731.16733
3270.0000 -33.90193 -32.11211 1.78982 1.89435 -32.72821 686.54594
3275.0000 -33.71431 -32.11479 1.59952 1.98191 -32.19561 778.19476
3280.0000 -34.26043 -32.75948 1.50095 1.96840 -32.27778 819.92763
3285.0000 -34.15360 -33.00197 1.15163 1.87534 -32.84379 696.97260
3290.0000 -34.07786 -32.66779 1.41006 1.83336 -33.09914 622.89687
3295.0000 -34.00946 -32.23626 1.77320 1.95705 -32.34684 795.91081
3300.0000 -34.10090 -32.15265 1.94825 2.01347 -32.00368 873.02996
3305.0000 -33.01901 -30.74277 2.27624 2.10214 -31.46438 967.68424
3310.0000 -34.20433 -32.75161 1.45273 1.96759 -32.28273 800.59361
3315.0000 -33.08134 -31.47096 1.61038 2.03336 -31.88268 902.79939
3320.0000 -33.36343 -31.75113 1.61230 2.03694 -31.86091 895.32426
3325.0000 -33.48295 -32.37573 1.10722 2.01284 -32.00751 841.14835
3330.0000 -34.18655 -32.90147 1.28508 1.89039 -32.75227 658.34533
3335.0000 -33.55935 -31.98241 1.57695 1.94628 -32.41232 739.04825
3340.0000 -32.73609 -31.04920 1.68690 2.11734 -31.37192 855.64462
3345.0000 -33.02955 -31.74384 1.28571 2.05423 -31.75579 789.06243
3350.0000 -33.04823 -31.24221 1.80601 2.12257 -31.34009 968.54926
3355.0000 -33.69185 -32.12072 1.57113 2.06338 -31.70009 898.39921
3360.0000 -33.62173 -31.84235 1.77937 2.02208 -31.95127 839.19163
3365.0000 -32.86123 -31.50787 1.35335 2.10054 -31.47407 985.31769
3370.0000 -34.09535 -32.19186 1.90349 2.03431 -31.87689 809.59725
3375.0000 -34.59039 -32.70982 1.88057 1.95128 -32.38190 762.03878
3380.0000 -33.66967 -32.29332 1.37635 1.93115 -32.50436 755.89413
3385.0000 -33.41436 -32.08420 1.33016 1.97571 -32.23334 761.28253
3390.0000 -33.32010 -31.97221 1.34788 2.02757 -31.91790 784.63755
3395.0000 -33.81014 -32.20339 1.60676 1.95181 -32.37868 733.33658
3400.0000 -34.14070 -31.79446 2.34624 1.98098 -32.20126 846.85037
3405.0000 -33.78065 -32.11634 1.66431 2.01448 -31.99753 851.57460
3410.0000 -33.57215 -31.65630 1.91586 2.06033 -31.71867 914.57825
3415.0000 -32.65863 -31.59202 1.06661 2.13370 -31.27238 973.13300
3420.0000 -33.09677 -31.80913 1.28764 2.07646 -31.62057 855.09833
3425.0000 -32.92516 -31.17183 1.75333 2.08182 -31.58794 888.59586
3430.0000 -33.93056 -32.67610 1.25446 2.00714 -32.04217 806.08777
3435.0000 -33.20011 -31.80595 1.39416 1.96585 -32.29329 762.93323
3440.0000 -32.08955 -30.14224 1.94731 2.19671 -30.88916 1113.51414
3445.0000 -33.03078 -31.23698 1.79380 2.24545 -30.59275 1045.51289
3450.0000 -33.23522 -31.47888 1.75634 2.07574 -31.62491 854.61000
3455.0000 -33.81414 -31.95376 1.86039 2.02383 -31.94063 833.76345
3460.0000 -34.22230 -32.40870 1.81360 1.91339 -32.61239 673.89519
3465.0000 -34.13056 -32.89464 1.23592 1.87358 -32.85453 681.83189
3470.0000 -33.79875 -32.58813 1.21062 1.87130 -32.86839 639.82185
3475.0000 -34.08184 -32.74527 1.33657 1.86471 -32.90844 652.80988
3480.0000 -33.96129 -32.68204 1.27925 1.89649 -32.71516 669.00076
3485.0000 -33.78843 -32.18927 1.59916 1.92013 -32.57137 758.85648
3490.0000 -33.77589 -31.34576 2.43013 2.03284 -31.88587 897.68418
3495.0000 -33.80153 -31.55242 2.24910 2.04680 -31.80092 902.37122
3500.0000 -32.95457 -30.87266 2.08191 2.12010 -31.35511 890.93899
FREEZING PROCESS: loop number 15 T-loop= 809.00000000000000
main_MD> interactions number 15 at Temperature= 809.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78075 -0.98517 -3.46605
force_rgl> df(natom) 6.64054 1.36791 3.78360
3505.0000 -34.16362 -32.22018 1.94344 2.05561 -31.74735 865.49228
3510.0000 -34.16737 -33.26733 0.90005 1.93790 -32.46330 767.92484
3515.0000 -34.14859 -32.93672 1.21187 1.89684 -32.71306 701.67548
3520.0000 -33.75902 -32.33588 1.42314 1.89985 -32.69473 762.62197
3525.0000 -33.39581 -31.88603 1.50978 1.95114 -32.38277 752.06283
3530.0000 -33.17111 -31.84547 1.32564 2.08033 -31.59702 796.74133
3535.0000 -33.50137 -32.14945 1.35192 2.04791 -31.79422 777.07330
3540.0000 -33.37587 -32.25961 1.11626 1.93549 -32.47798 748.31177
3545.0000 -34.01040 -32.49746 1.51294 1.95711 -32.34646 792.76163
3550.0000 -33.79624 -32.33761 1.45863 1.94213 -32.43755 778.01499
3555.0000 -33.62565 -31.93894 1.68672 1.98481 -32.17800 811.99523
3560.0000 -33.39775 -31.64211 1.75564 2.04729 -31.79798 952.42363
3565.0000 -34.36221 -32.71528 1.64693 1.97679 -32.22676 790.36190
3570.0000 -34.20566 -32.62398 1.58168 1.88577 -32.78036 686.63443
3575.0000 -34.16106 -32.83411 1.32695 1.88957 -32.75726 695.44361
3580.0000 -33.85307 -32.67228 1.18079 1.90795 -32.64546 714.79642
3585.0000 -33.26540 -31.38427 1.88113 2.01680 -31.98339 827.08935
3590.0000 -33.08151 -31.64629 1.43522 2.11718 -31.37289 984.24914
3595.0000 -33.73929 -32.55343 1.18586 2.01104 -32.01842 815.77480
3600.0000 -32.54520 -31.20948 1.33572 2.08131 -31.59106 851.46479
3605.0000 -33.01140 -31.04459 1.96681 2.26587 -30.46850 1047.96764
3610.0000 -33.37920 -30.85468 2.52452 2.09983 -31.47843 849.61838
3615.0000 -33.38289 -31.60306 1.77983 2.06126 -31.71298 815.27471
3620.0000 -33.93226 -32.18626 1.74601 2.05151 -31.77230 872.73440
3625.0000 -34.00242 -32.59972 1.40270 1.97003 -32.26787 827.34697
3630.0000 -33.70720 -32.31802 1.38918 1.96359 -32.30708 768.17774
3635.0000 -33.59426 -32.48441 1.10985 1.97638 -32.22929 803.69022
3640.0000 -33.23562 -31.48576 1.74986 2.03261 -31.88724 839.47165
3645.0000 -33.60595 -31.93053 1.67542 2.04991 -31.78200 867.17338
3650.0000 -33.53802 -31.94675 1.59127 2.05547 -31.74824 944.69313
3655.0000 -33.86422 -31.43201 2.43221 1.99758 -32.10031 792.82363
3660.0000 -33.02621 -30.92723 2.09898 2.13849 -31.24326 908.58036
3665.0000 -32.61888 -31.12808 1.49080 2.17125 -31.04400 883.12640
3670.0000 -33.35486 -31.31303 2.04183 2.13016 -31.29394 944.04110
3675.0000 -33.30681 -32.09584 1.21097 2.13038 -31.29260 946.32872
3680.0000 -33.57575 -32.00065 1.57510 2.04405 -31.81768 832.04519
3685.0000 -32.80022 -30.79897 2.00125 2.13145 -31.28610 990.63599
3690.0000 -32.48940 -31.08635 1.40305 2.21829 -30.75789 1017.06968
3695.0000 -33.03854 -31.17166 1.86688 2.18538 -30.95809 881.01411
3700.0000 -33.01008 -30.88349 2.12659 2.20137 -30.86083 1006.51093
3705.0000 -33.87816 -31.87362 2.00453 2.15405 -31.14866 1130.09458
3710.0000 -33.62495 -32.15389 1.47106 2.03515 -31.87181 804.37546
3715.0000 -33.18521 -32.05338 1.13183 1.93756 -32.46540 765.93427
3720.0000 -34.48290 -32.87523 1.60767 1.93901 -32.45654 731.89532
3725.0000 -34.14191 -32.89141 1.25050 1.88875 -32.76222 680.48801
3730.0000 -34.24097 -32.75167 1.48930 1.90737 -32.64898 751.66699
3735.0000 -34.41560 -33.26367 1.15193 1.78742 -33.37855 560.67232
3740.0000 -33.57615 -32.66599 0.91016 1.88087 -32.81014 668.81405
3745.0000 -33.91613 -31.67080 2.24534 2.06144 -31.71192 945.21162
3750.0000 -33.38093 -31.72135 1.65958 2.04661 -31.80208 914.67204
FREEZING PROCESS: loop number 16 T-loop= 784.00000000000000
main_MD> interactions number 16 at Temperature= 784.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.63044 0.07430 0.99422
force_rgl> df(natom) 1.79695 -0.39695 1.51616
3755.0000 -32.48604 -30.83255 1.65349 2.09320 -31.51871 888.22002
3760.0000 -33.50448 -31.92643 1.57804 2.12681 -31.31430 842.31984
3765.0000 -33.50043 -32.02867 1.47177 2.01744 -31.97950 828.43484
3770.0000 -33.98013 -32.24393 1.73620 2.00714 -32.04217 857.62656
3775.0000 -33.69310 -31.98736 1.70573 2.02172 -31.95350 840.92249
3780.0000 -33.90633 -32.11489 1.79143 2.00798 -32.03706 839.74834
3785.0000 -33.01271 -31.30705 1.70566 2.13248 -31.27985 976.28810
3790.0000 -33.23496 -31.51962 1.71534 2.14314 -31.21500 976.47744
3795.0000 -33.64189 -31.56146 2.08043 1.98943 -32.14986 790.43897
3800.0000 -32.98285 -31.31105 1.67181 2.07233 -31.64567 846.15767
3805.0000 -33.29696 -31.15633 2.14063 2.13242 -31.28020 894.28522
3810.0000 -32.88684 -31.84290 1.04393 2.09163 -31.52828 851.12697
3815.0000 -33.39692 -31.75294 1.64398 2.15537 -31.14057 982.72973
3820.0000 -33.89787 -32.43909 1.45878 2.01825 -31.97457 861.98675
3825.0000 -33.66894 -32.68743 0.98151 1.95348 -32.36852 776.58036
3830.0000 -33.84012 -32.50897 1.33115 1.91698 -32.59054 761.79277
3835.0000 -34.17466 -32.85041 1.32425 1.88522 -32.78373 706.74284
3840.0000 -33.90462 -32.65446 1.25016 1.85149 -32.98888 664.85440
3845.0000 -33.65689 -32.23401 1.42288 1.96946 -32.27134 869.78629
3850.0000 -33.48590 -31.72085 1.76505 1.99972 -32.08732 815.36935
3855.0000 -32.83550 -31.13808 1.69742 2.12092 -31.35016 979.97499
3860.0000 -33.96922 -32.04890 1.92032 2.01955 -31.96667 767.31829
3865.0000 -33.64875 -32.24768 1.40107 2.03161 -31.89337 908.54930
3870.0000 -33.79522 -32.93096 0.86426 1.97516 -32.23666 771.13551
3875.0000 -33.62990 -32.03179 1.59811 2.01209 -32.01208 795.45590
3880.0000 -33.63121 -32.18555 1.44566 2.02330 -31.94389 787.45602
3885.0000 -34.45314 -32.84661 1.60653 1.87516 -32.84487 683.32501
3890.0000 -33.83575 -32.33098 1.50477 1.86695 -32.89485 700.93830
3895.0000 -33.67796 -31.65332 2.02464 2.00379 -32.06256 864.11231
3900.0000 -34.13002 -32.30886 1.82116 1.99438 -32.11977 850.26696
3905.0000 -33.29980 -31.60213 1.69767 2.01399 -32.00053 918.63951
3910.0000 -33.62429 -32.15553 1.46875 2.02338 -31.94338 840.30904
3915.0000 -34.04020 -32.23958 1.80062 1.98832 -32.15662 836.09460
3920.0000 -34.27208 -32.30458 1.96750 1.94490 -32.42070 808.86448
3925.0000 -33.93812 -32.54076 1.39735 1.97924 -32.21185 812.02854
3930.0000 -33.83533 -32.64339 1.19194 1.91505 -32.60230 732.66630
3935.0000 -33.35840 -32.06124 1.29715 1.96569 -32.29425 806.45700
3940.0000 -33.12604 -31.51301 1.61303 2.03277 -31.88628 867.91147
3945.0000 -33.92100 -32.71819 1.20281 1.94249 -32.43538 771.88895
3950.0000 -34.21791 -32.60412 1.61379 1.94196 -32.43859 778.34018
3955.0000 -33.63458 -32.23563 1.39894 1.94792 -32.40238 771.40232
3960.0000 -34.00614 -31.84215 2.16399 1.97329 -32.24806 773.38983
3965.0000 -34.16713 -32.80194 1.36519 1.97585 -32.23248 795.40389
3970.0000 -33.11790 -32.08739 1.03051 1.96926 -32.27257 790.68214
3975.0000 -32.81119 -31.65338 1.15781 2.01567 -31.99030 844.75518
3980.0000 -33.64706 -32.35610 1.29097 1.99130 -32.13851 808.80332
3985.0000 -34.19880 -32.79638 1.40242 1.97376 -32.24520 793.98116
3990.0000 -33.65280 -32.16892 1.48388 1.89820 -32.70475 721.23157
3995.0000 -33.79461 -31.96151 1.83310 2.01201 -32.01256 859.98862
4000.0000 -33.92700 -31.80932 2.11768 2.01133 -32.01669 854.95982
FREEZING PROCESS: loop number 17 T-loop= 759.00000000000000
main_MD> interactions number 17 at Temperature= 759.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53087 -1.35783 0.66903
force_rgl> df(natom) 0.98291 -0.28317 -2.90148
4005.0000 -33.92865 -31.95082 1.97784 2.02234 -31.94970 817.00693
4010.0000 -34.32857 -32.84609 1.48248 1.94205 -32.43807 758.28744
4015.0000 -33.74657 -32.67286 1.07371 1.93337 -32.49082 750.15548
4020.0000 -34.11616 -32.55944 1.55672 1.92163 -32.56223 727.54471
4025.0000 -33.79448 -32.36637 1.42810 1.93179 -32.50047 750.98360
4030.0000 -33.80984 -32.13963 1.67021 2.00530 -32.05337 820.10082
4035.0000 -33.21688 -31.81574 1.40114 2.01057 -32.02132 779.78156
4040.0000 -33.40352 -31.62764 1.77588 2.01084 -32.01964 878.27176
4045.0000 -33.45068 -32.28770 1.16298 2.03376 -31.88023 872.54294
4050.0000 -33.44263 -32.55165 0.89098 1.92307 -32.55348 688.63855
4055.0000 -33.80469 -32.63143 1.17326 1.92492 -32.54224 770.31096
4060.0000 -33.41809 -31.97615 1.44194 1.98806 -32.15824 799.97474
4065.0000 -33.43603 -31.90987 1.52616 2.06703 -31.67789 803.80656
4070.0000 -32.83921 -31.72230 1.11692 2.04261 -31.82645 731.90577
4075.0000 -32.76506 -31.61767 1.14739 2.06931 -31.66403 843.34496
4080.0000 -33.92430 -32.41307 1.51123 1.96858 -32.27672 718.44320
4085.0000 -34.10659 -33.09650 1.01009 1.88200 -32.80331 691.68835
4090.0000 -34.37940 -32.78277 1.59663 1.87786 -32.82849 697.60738
4095.0000 -34.01868 -33.04032 0.97836 1.86235 -32.92279 683.06091
4100.0000 -33.73509 -32.29424 1.44085 1.90594 -32.65767 741.52281
4105.0000 -32.66882 -31.12976 1.53906 2.05813 -31.73205 841.66487
4110.0000 -33.85616 -31.56984 2.28632 2.13211 -31.28210 1003.80243
4115.0000 -33.71832 -32.34711 1.37121 2.04971 -31.78324 905.29086
4120.0000 -34.60431 -32.78486 1.81944 1.95200 -32.37755 745.27135
4125.0000 -34.01826 -32.74793 1.27033 1.87888 -32.82225 679.15808
4130.0000 -33.60764 -32.27061 1.33704 1.95348 -32.36856 735.58526
4135.0000 -34.12860 -32.34820 1.78040 1.93007 -32.51092 698.32268
4140.0000 -34.00755 -32.41312 1.59443 1.92536 -32.53956 735.53762
4145.0000 -32.67483 -31.44691 1.22792 2.01169 -32.01448 796.07447
4150.0000 -33.58547 -32.06386 1.52161 2.11800 -31.36790 921.04487
4155.0000 -34.07800 -32.29861 1.77939 1.98444 -32.18021 812.64850
4160.0000 -34.51462 -32.94425 1.57038 1.89494 -32.72456 696.52703
4165.0000 -34.60640 -32.49620 2.11020 1.82718 -33.13673 593.71211
4170.0000 -34.44939 -33.45690 0.99250 1.85769 -32.95113 679.89866
4175.0000 -34.02811 -32.48839 1.53973 1.82638 -33.14161 633.35747
4180.0000 -33.90398 -32.72010 1.18388 1.93695 -32.46911 771.83625
4185.0000 -34.46757 -32.70658 1.76098 1.88427 -32.78950 667.55221
4190.0000 -34.35573 -33.17748 1.17825 1.88284 -32.79816 695.31692
4195.0000 -33.76782 -32.13073 1.63709 1.93110 -32.50465 739.53470
4200.0000 -33.39624 -31.96998 1.42626 2.00264 -32.06956 841.99726
4205.0000 -32.72712 -31.43775 1.28937 2.05116 -31.77445 916.67022
4210.0000 -33.57563 -31.29490 2.28073 2.13362 -31.27289 981.55834
4215.0000 -33.54955 -31.47211 2.07743 2.12083 -31.35069 954.01913
4220.0000 -32.98171 -31.43888 1.54283 2.11958 -31.35832 975.41574
4225.0000 -33.06582 -31.58603 1.47979 2.09244 -31.52335 959.91218
4230.0000 -33.37830 -32.43135 0.94695 2.01158 -32.01514 823.74482
4235.0000 -33.71835 -31.66008 2.05827 1.95345 -32.36873 772.55494
4240.0000 -33.93236 -32.45388 1.47848 2.00471 -32.05693 838.52766
4245.0000 -33.78415 -32.28628 1.49787 1.95049 -32.38671 774.73147
4250.0000 -34.01697 -32.77799 1.23898 1.93563 -32.47713 751.37208
FREEZING PROCESS: loop number 18 T-loop= 734.00000000000000
main_MD> interactions number 18 at Temperature= 734.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.88907 0.82607 -0.49474
force_rgl> df(natom) 0.76927 -2.14602 -0.93650
4255.0000 -34.03672 -32.64502 1.39170 1.86973 -32.87793 669.59943
4260.0000 -33.97631 -32.69017 1.28614 1.89746 -32.70927 712.12701
4265.0000 -33.58685 -32.05981 1.52704 1.96743 -32.28368 809.09876
4270.0000 -34.21881 -32.67732 1.54149 2.00119 -32.07834 826.83059
4275.0000 -33.39483 -32.13241 1.26241 1.93300 -32.49310 809.43144
4280.0000 -33.76777 -32.48777 1.28000 1.95110 -32.38301 782.80736
4285.0000 -33.49243 -32.04364 1.44879 1.93572 -32.47658 722.83942
4290.0000 -33.43792 -32.05837 1.37954 2.02771 -31.91708 886.37831
4295.0000 -34.01631 -32.33940 1.67692 1.99158 -32.13678 793.77308
4300.0000 -33.84019 -32.55044 1.28975 1.92512 -32.54101 673.56232
4305.0000 -34.56838 -32.90141 1.66697 1.88094 -32.80974 672.03761
4310.0000 -34.41105 -33.07956 1.33149 1.86729 -32.89276 634.62364
4315.0000 -34.26730 -33.47872 0.78858 1.75251 -33.59091 476.26048
4320.0000 -33.80657 -32.75035 1.05623 1.86283 -32.91990 631.35821
4325.0000 -34.34447 -32.58613 1.75834 1.88725 -32.77134 720.14225
4330.0000 -34.09558 -32.34343 1.75215 1.95890 -32.33559 814.73339
4335.0000 -34.03088 -32.61558 1.41530 1.90582 -32.65842 693.88702
4340.0000 -34.16028 -33.28994 0.87034 1.88425 -32.78964 690.29395
4345.0000 -34.07226 -32.68208 1.39019 1.89388 -32.73106 719.22882
4350.0000 -34.47878 -33.51424 0.96455 1.84105 -33.05234 625.92340
4355.0000 -33.91596 -32.13924 1.77672 1.88468 -32.78697 730.42184
4360.0000 -33.66053 -31.87358 1.78695 2.03361 -31.88116 909.05271
4365.0000 -33.74005 -32.33035 1.40969 1.95783 -32.34210 780.47906
4370.0000 -33.76190 -32.25338 1.50852 1.97638 -32.22926 818.13991
4375.0000 -34.16411 -32.60455 1.55956 1.92371 -32.54962 752.15738
4380.0000 -33.91565 -32.56884 1.34681 1.95084 -32.38461 793.27117
4385.0000 -34.14789 -32.93722 1.21066 1.90667 -32.65323 675.39363
4390.0000 -34.30621 -32.72407 1.58213 1.88537 -32.78280 709.25812
4395.0000 -34.20329 -33.12729 1.07600 1.93316 -32.49213 812.16103
4400.0000 -34.47451 -32.72469 1.74982 1.83571 -33.08485 634.88711
4405.0000 -34.31901 -33.15858 1.16043 1.88113 -32.80860 643.55565
4410.0000 -33.81277 -32.02800 1.78476 1.87696 -32.83394 671.16573
4415.0000 -33.52895 -31.49447 2.03448 2.01561 -31.99067 846.62185
4420.0000 -33.30826 -31.48101 1.82725 2.09314 -31.51910 935.27785
4425.0000 -34.04983 -32.71163 1.33819 1.92871 -32.51922 657.64772
4430.0000 -34.29010 -32.47461 1.81550 1.97857 -32.21594 829.08468
4435.0000 -34.46259 -33.36192 1.10068 1.89876 -32.70139 743.46139
4440.0000 -34.01793 -32.96209 1.05584 1.84881 -33.00513 624.21855
4445.0000 -33.84987 -32.80959 1.04028 1.85166 -32.98783 607.73664
4450.0000 -33.73477 -32.54616 1.18861 1.92350 -32.55091 694.46678
4455.0000 -33.81752 -31.66006 2.15746 2.03169 -31.89287 885.33891
4460.0000 -33.89675 -31.68927 2.20748 2.05270 -31.76509 892.28247
4465.0000 -34.02110 -32.56129 1.45981 1.97578 -32.23291 850.09481
4470.0000 -34.06510 -32.75997 1.30514 1.88540 -32.78262 669.52555
4475.0000 -33.65087 -32.10639 1.54448 1.91028 -32.63131 759.88421
4480.0000 -34.32861 -32.98363 1.34497 1.91977 -32.57355 666.19300
4485.0000 -33.19121 -31.55126 1.63995 1.95321 -32.37020 730.50681
4490.0000 -34.11158 -32.32522 1.78636 1.99109 -32.13979 778.42606
4495.0000 -34.12596 -32.34725 1.77871 1.97166 -32.25795 819.24273
4500.0000 -34.33784 -33.56033 0.77751 1.85125 -32.99035 642.89445
FREEZING PROCESS: loop number 19 T-loop= 709.00000000000000
main_MD> interactions number 19 at Temperature= 709.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46070 -1.01727 0.24169
force_rgl> df(natom) -0.37191 2.27605 1.18310
4505.0000 -34.29177 -33.11377 1.17800 1.84302 -33.04035 637.44588
4510.0000 -34.46235 -32.90071 1.56164 1.89892 -32.70036 688.76314
4515.0000 -34.32058 -32.66114 1.65944 1.87037 -32.87404 688.84272
4520.0000 -34.04202 -32.33915 1.70286 1.94900 -32.39581 776.98863
4525.0000 -33.89859 -32.13412 1.76447 1.96369 -32.30644 756.86592
4530.0000 -33.85388 -32.38691 1.46697 1.90914 -32.63823 740.72900
4535.0000 -33.25504 -31.91088 1.34416 1.92977 -32.51272 721.71688
4540.0000 -33.46522 -32.15401 1.31121 2.02265 -31.94783 894.93126
4545.0000 -33.72763 -32.19564 1.53199 2.01091 -32.01926 769.94538
4550.0000 -34.36975 -32.53968 1.83007 2.01404 -32.00019 884.45014
4555.0000 -33.18238 -32.20119 0.98118 1.91403 -32.60850 733.41199
4560.0000 -33.51603 -31.65617 1.85986 2.04287 -31.82485 744.86130
4565.0000 -33.51781 -31.60185 1.91596 2.05216 -31.76837 827.57812
4570.0000 -33.73798 -32.17788 1.56010 2.03897 -31.84859 863.44772
4575.0000 -33.49761 -31.58212 1.91549 2.05258 -31.76578 902.54701
4580.0000 -33.15200 -31.66724 1.48476 2.06051 -31.71758 893.96654
4585.0000 -34.02962 -32.02639 2.00323 2.06739 -31.67574 888.31744
4590.0000 -33.82492 -32.01867 1.80626 2.00250 -32.07040 833.48194
4595.0000 -32.60512 -31.05521 1.54991 2.08544 -31.56592 825.11745
4600.0000 -33.35942 -31.49173 1.86769 2.14860 -31.18179 901.62600
4605.0000 -32.84841 -31.33046 1.51796 2.13800 -31.24628 948.01436
4610.0000 -34.21241 -32.44025 1.77217 2.07191 -31.64821 817.41888
4615.0000 -34.26737 -32.46267 1.80471 1.92032 -32.57024 755.03462
4620.0000 -34.22825 -32.71037 1.51788 1.93365 -32.48914 777.54822
4625.0000 -33.90920 -32.22511 1.68409 1.96917 -32.27311 811.84257
4630.0000 -33.17346 -31.29298 1.88048 2.01940 -31.96760 853.54444
4635.0000 -34.00045 -32.30914 1.69131 2.05849 -31.72983 938.54696
4640.0000 -33.50676 -31.57014 1.93662 2.03847 -31.85163 883.71448
4645.0000 -33.39179 -31.75126 1.64053 2.08426 -31.57312 885.68777
4650.0000 -34.25385 -32.80131 1.45254 1.99689 -32.10452 862.03990
4655.0000 -34.07173 -32.41404 1.65769 1.92220 -32.55880 727.63681
4660.0000 -34.17972 -32.82555 1.35417 1.95987 -32.32969 795.52838
4665.0000 -34.20962 -32.65489 1.55473 1.90304 -32.67534 711.02240
4670.0000 -34.21556 -32.97835 1.23721 1.85594 -32.96181 688.98390
4675.0000 -34.25878 -32.90079 1.35799 1.89715 -32.71118 712.31581
4680.0000 -33.91167 -32.25597 1.65569 1.90225 -32.68012 726.66324
4685.0000 -33.75111 -31.93555 1.81556 2.00737 -32.04077 832.97809
4690.0000 -34.24498 -32.12006 2.12491 2.00361 -32.06365 874.42559
4695.0000 -33.74906 -32.59489 1.15417 1.97744 -32.22282 740.87811
4700.0000 -34.22530 -32.47727 1.74803 1.87678 -32.83507 655.43861
4705.0000 -33.93873 -32.72972 1.20901 1.86277 -32.92025 655.10421
4710.0000 -34.48445 -32.88757 1.59688 1.88845 -32.76404 692.90998
4715.0000 -33.93520 -32.75317 1.18202 1.82517 -33.14895 560.67732
4720.0000 -33.65124 -32.62136 1.02988 1.89678 -32.71342 682.83357
4725.0000 -34.10473 -32.92031 1.18443 1.85149 -32.98886 617.36563
4730.0000 -34.07340 -32.99669 1.07671 1.82291 -33.16267 591.03196
4735.0000 -34.23060 -32.50558 1.72502 1.81508 -33.21031 610.60440
4740.0000 -34.18872 -32.46193 1.72679 1.92573 -32.53735 781.22104
4745.0000 -33.95520 -32.62828 1.32692 1.93286 -32.49394 746.61388
4750.0000 -34.27993 -32.99418 1.28576 1.86081 -32.93220 664.88433
FREEZING PROCESS: loop number 20 T-loop= 684.00000000000000
main_MD> interactions number 20 at Temperature= 684.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26807 2.94426 -1.01520
force_rgl> df(natom) -0.40901 -0.32667 0.47515
4755.0000 -34.51315 -33.29764 1.21551 1.83342 -33.09875 615.20670
4760.0000 -34.07211 -32.59235 1.47976 1.83267 -33.10331 608.65027
4765.0000 -34.00061 -32.90464 1.09597 1.89489 -32.72492 688.96508
4770.0000 -33.88709 -32.92072 0.96637 1.89418 -32.72919 675.56377
4775.0000 -34.38371 -32.69443 1.68929 1.84284 -33.04145 668.38661
4780.0000 -33.72529 -32.67501 1.05027 1.95125 -32.38210 776.19518
4785.0000 -33.75671 -32.27136 1.48535 1.96621 -32.29112 781.09952
4790.0000 -34.12504 -32.43072 1.69431 1.97210 -32.25531 806.22312
4795.0000 -34.05419 -32.74278 1.31140 1.89342 -32.73382 732.82953
4800.0000 -34.43683 -32.78440 1.65243 1.84350 -33.03744 644.82371
4805.0000 -33.93602 -32.32419 1.61182 2.02007 -31.96352 816.94398
4810.0000 -34.18443 -33.20805 0.97637 1.89285 -32.73733 714.63715
4815.0000 -34.18597 -32.75683 1.42914 1.86563 -32.90284 666.29345
4820.0000 -34.01747 -32.72254 1.29493 1.88838 -32.76450 688.91765
4825.0000 -33.88750 -32.43493 1.45257 1.87713 -32.83293 678.73992
4830.0000 -33.45983 -32.17053 1.28930 1.97983 -32.20827 813.86688
4835.0000 -33.74684 -32.20777 1.53907 1.99800 -32.09773 821.06346
4840.0000 -33.16448 -31.52036 1.64413 2.04348 -31.82114 841.54095
4845.0000 -33.42315 -32.45311 0.97004 1.99518 -32.11492 785.54514
4850.0000 -34.17207 -32.96957 1.20250 1.92493 -32.54219 746.97759
4855.0000 -33.43021 -31.97815 1.45207 1.91758 -32.58691 733.07690
4860.0000 -33.57416 -31.85638 1.71778 2.01427 -31.99883 878.17222
4865.0000 -34.16225 -32.78031 1.38194 1.95395 -32.36569 869.70366
4870.0000 -33.62104 -32.49106 1.12998 1.91141 -32.62442 685.12562
4875.0000 -34.59909 -33.21348 1.38561 1.92950 -32.51440 732.45217
4880.0000 -34.06265 -32.87611 1.18654 1.81148 -33.23223 571.38153
4885.0000 -34.18645 -32.84379 1.34267 1.84023 -33.05733 611.86285
4890.0000 -34.42273 -33.03198 1.39075 1.85050 -32.99490 647.32385
4895.0000 -33.98240 -33.03853 0.94388 1.80172 -33.29160 576.85709
4900.0000 -34.07103 -32.82929 1.24174 1.84240 -33.04416 638.37783
4905.0000 -34.06953 -32.84516 1.22437 1.88178 -32.80464 661.51997
4910.0000 -33.81525 -32.82241 0.99284 1.81286 -33.22379 573.83912
4915.0000 -34.05842 -32.69894 1.35948 1.86357 -32.91540 645.99251
4920.0000 -34.30552 -33.17873 1.12678 1.83827 -33.06927 628.46831
4925.0000 -34.47065 -33.10861 1.36204 1.77979 -33.42496 530.53104
4930.0000 -33.94899 -32.86508 1.08391 1.86769 -32.89031 643.83569
4935.0000 -33.88492 -32.25883 1.62609 1.92227 -32.55836 666.78118
4940.0000 -33.68927 -32.18098 1.50830 1.97309 -32.24929 757.23510
4945.0000 -34.35858 -32.84940 1.50918 1.94233 -32.43634 784.93580
4950.0000 -34.87520 -34.02545 0.84974 1.77056 -33.48107 523.66507
4955.0000 -34.61455 -33.60868 1.00587 1.80636 -33.26335 590.42099
4960.0000 -34.80894 -33.49472 1.31422 1.83233 -33.10543 650.24947
4965.0000 -34.55306 -33.38100 1.17206 1.77104 -33.47817 519.59731
4970.0000 -34.35915 -33.09941 1.25974 1.81274 -33.22457 570.01963
4975.0000 -34.39170 -33.00040 1.39130 1.86525 -32.90516 677.19530
4980.0000 -34.27072 -33.28656 0.98416 1.81888 -33.18722 595.30702
4985.0000 -34.45501 -33.29399 1.16102 1.84502 -33.02823 650.04387
4990.0000 -33.73048 -31.91898 1.81149 1.85970 -32.93891 613.37020
4995.0000 -33.83072 -31.96702 1.86371 2.04243 -31.82751 814.29706
5000.0000 -34.19077 -33.09984 1.09094 1.93802 -32.46258 771.37814
FREEZING PROCESS: loop number 21 T-loop= 659.00000000000000
main_MD> interactions number 21 at Temperature= 659.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50359 -2.38134 1.39003
force_rgl> df(natom) -0.56649 0.13750 1.55178
5005.0000 -34.15439 -33.04539 1.10900 1.88968 -32.75657 732.32964
5010.0000 -34.38394 -33.17917 1.20478 1.86087 -32.93181 681.58997
5015.0000 -33.51820 -32.02456 1.49363 1.92011 -32.57152 755.46837
5020.0000 -33.58279 -32.32113 1.26166 1.99692 -32.10434 839.35270
5025.0000 -34.16059 -32.61877 1.54182 1.95584 -32.35416 796.72852
5030.0000 -34.30895 -32.45855 1.85039 1.92687 -32.53040 767.47997
5035.0000 -34.59037 -32.64802 1.94235 1.91347 -32.61188 775.21037
5040.0000 -33.91049 -32.76482 1.14568 1.92778 -32.52487 723.84350
5045.0000 -34.01466 -32.38620 1.62846 1.92773 -32.52515 717.03167
5050.0000 -33.73164 -32.49208 1.23955 1.88574 -32.78055 675.19149
5055.0000 -34.10312 -32.68920 1.41392 1.88890 -32.76134 711.49836
5060.0000 -34.15238 -32.95578 1.19660 1.91721 -32.58917 769.92247
5065.0000 -34.10366 -33.04523 1.05842 1.86518 -32.90560 659.25085
5070.0000 -34.18752 -32.98892 1.19860 1.85619 -32.96025 640.93829
5075.0000 -34.42599 -32.99446 1.43153 1.87335 -32.85590 673.74385
5080.0000 -34.20712 -32.80428 1.40284 1.83553 -33.08594 605.91717
5085.0000 -34.26536 -32.99305 1.27232 1.85487 -32.96828 684.79886
5090.0000 -34.19219 -32.69235 1.49984 1.87437 -32.84971 679.04851
5095.0000 -34.09540 -32.86306 1.23234 1.87247 -32.86128 614.87769
5100.0000 -34.67676 -33.15610 1.52066 1.88819 -32.76567 664.59221
5105.0000 -34.36635 -32.92231 1.44405 1.83535 -33.08703 643.75509
5110.0000 -33.91772 -32.98376 0.93396 1.86660 -32.89695 682.93470
5115.0000 -34.35779 -33.03926 1.31853 1.84643 -33.01963 632.56926
5120.0000 -34.04551 -32.76968 1.27583 1.87802 -32.82750 666.30909
5125.0000 -34.28691 -32.31049 1.97641 1.92148 -32.56318 760.42008
5130.0000 -33.91085 -31.91093 1.99992 1.98868 -32.15444 876.00543
5135.0000 -34.53172 -33.18503 1.34669 1.98097 -32.20136 778.76316
5140.0000 -33.98840 -32.74526 1.24313 1.85318 -32.97861 642.62965
5145.0000 -33.75711 -32.49401 1.26309 1.96728 -32.28463 807.71443
5150.0000 -34.03121 -32.72330 1.30791 1.90832 -32.64323 689.11059
5155.0000 -34.56279 -33.09959 1.46320 1.88739 -32.77051 673.42878
5160.0000 -34.18737 -33.42296 0.76440 1.83611 -33.08242 586.05103
5165.0000 -34.00106 -32.21298 1.78808 1.86844 -32.88575 651.36878
5170.0000 -33.81379 -32.42088 1.39291 1.93241 -32.49666 700.87242
5175.0000 -34.52247 -33.03580 1.48667 1.87680 -32.83489 670.44943
5180.0000 -34.26152 -33.29240 0.96912 1.79433 -33.33652 597.70744
5185.0000 -34.57765 -33.35591 1.22174 1.81120 -33.23389 531.95073
5190.0000 -33.85312 -32.23326 1.61986 1.87800 -32.82764 675.73051
5195.0000 -34.13541 -32.92207 1.21334 1.92978 -32.51271 789.62676
5200.0000 -34.33321 -32.82621 1.50700 1.82516 -33.14899 551.09825
5205.0000 -34.16019 -33.06495 1.09524 1.83391 -33.09581 612.63284
5210.0000 -34.67246 -33.97741 0.69506 1.76478 -33.51625 500.02525
5215.0000 -34.76048 -33.82688 0.93360 1.69839 -33.92004 417.04365
5220.0000 -34.57410 -33.69120 0.88291 1.73028 -33.72606 470.46935
5225.0000 -34.35913 -33.06228 1.29686 1.79531 -33.33055 555.32497
5230.0000 -34.39379 -33.15896 1.23483 1.81123 -33.23376 513.61953
5235.0000 -34.07710 -32.87542 1.20168 1.82936 -33.12347 632.48316
5240.0000 -33.97438 -32.80375 1.17063 1.91380 -32.60990 758.32831
5245.0000 -34.21640 -33.09495 1.12145 1.85477 -32.96892 667.32708
5250.0000 -34.38386 -32.82828 1.55558 1.86967 -32.87828 701.91149
FREEZING PROCESS: loop number 22 T-loop= 634.00000000000000
main_MD> interactions number 22 at Temperature= 634.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02627 -0.71857 -0.00938
force_rgl> df(natom) 0.80940 1.90263 -1.51767
5255.0000 -34.17308 -33.32732 0.84576 1.85094 -32.99222 619.53127
5260.0000 -34.64479 -33.54580 1.09898 1.75918 -33.55033 514.65443
5265.0000 -34.30058 -32.74904 1.55154 1.84184 -33.04759 621.86617
5270.0000 -34.35269 -33.68541 0.66727 1.80420 -33.27651 571.14284
5275.0000 -34.76087 -33.72768 1.03319 1.78641 -33.38468 523.17099
5280.0000 -34.41078 -33.56355 0.84723 1.76300 -33.52709 508.50665
5285.0000 -34.39012 -33.60580 0.78432 1.81224 -33.22758 590.98191
5290.0000 -34.63514 -33.04248 1.59266 1.81374 -33.21848 584.30539
5295.0000 -34.43573 -33.41427 1.02146 1.84556 -33.02492 624.21693
5300.0000 -34.66879 -33.19668 1.47211 1.81680 -33.19983 625.71195
5305.0000 -34.03960 -33.32879 0.71081 1.88544 -32.78238 655.83904
5310.0000 -34.34474 -32.42097 1.92377 1.83274 -33.10291 638.89385
5315.0000 -33.73668 -32.38754 1.34915 1.88980 -32.75583 717.05871
5320.0000 -34.22516 -33.48239 0.74277 1.82824 -33.13029 617.01170
5325.0000 -34.08464 -33.03695 1.04769 1.82783 -33.13279 624.41222
5330.0000 -34.59865 -33.55307 1.04558 1.75748 -33.56065 485.89140
5335.0000 -34.65582 -33.40063 1.25519 1.79343 -33.34197 577.78521
5340.0000 -33.75409 -32.51236 1.24174 1.80885 -33.24820 610.90168
5345.0000 -33.96987 -32.38996 1.57991 1.93392 -32.48749 751.03172
5350.0000 -33.07809 -31.80612 1.27198 2.01383 -32.00145 870.53293
5355.0000 -34.16908 -32.86929 1.29979 1.92870 -32.51927 728.01303
5360.0000 -34.15841 -32.58527 1.57314 1.83436 -33.09308 639.01141
5365.0000 -34.29076 -33.49763 0.79313 1.82970 -33.12139 623.03254
5370.0000 -33.17174 -32.25777 0.91397 1.89144 -32.74585 657.80080
5375.0000 -34.10789 -32.66574 1.44215 1.90397 -32.66965 688.46878
5380.0000 -34.63061 -33.26181 1.36880 1.91283 -32.61575 733.49034
5385.0000 -34.38222 -33.19286 1.18936 1.77244 -33.46965 581.37863
5390.0000 -33.84683 -33.01857 0.82826 1.83444 -33.09256 633.58240
5395.0000 -34.22522 -32.86195 1.36327 1.84619 -33.02109 594.84842
5400.0000 -34.62524 -33.09118 1.53406 1.87651 -32.83669 670.91994
5405.0000 -34.12912 -32.68898 1.44014 1.87088 -32.87095 682.20581
5410.0000 -33.66325 -32.03729 1.62597 1.88674 -32.77445 682.88365
5415.0000 -34.64611 -33.38276 1.26336 1.89780 -32.70723 694.84324
5420.0000 -34.83275 -33.37309 1.45966 1.79597 -33.32652 550.49247
5425.0000 -34.36614 -33.38581 0.98033 1.73648 -33.68840 487.80085
5430.0000 -34.52641 -33.25147 1.27495 1.80128 -33.29424 522.85355
5435.0000 -34.32334 -32.89946 1.42388 1.82893 -33.12608 606.24313
5440.0000 -34.37838 -33.52582 0.85256 1.77254 -33.46903 543.03884
5445.0000 -34.43121 -33.32852 1.10270 1.78367 -33.40135 568.17372
5450.0000 -34.18798 -33.49584 0.69214 1.76558 -33.51137 518.43572
5455.0000 -34.47954 -33.14685 1.33269 1.77783 -33.43688 554.34658
5460.0000 -33.77005 -32.41445 1.35560 1.89380 -32.73150 714.43709
5465.0000 -34.17664 -33.00052 1.17612 1.87079 -32.87149 621.81800
5470.0000 -34.64964 -32.97365 1.67599 1.86803 -32.88827 650.95889
5475.0000 -34.44580 -33.09419 1.35161 1.81189 -33.22972 570.56931
5480.0000 -34.44282 -33.02591 1.41691 1.89084 -32.74954 698.41047
5485.0000 -34.60941 -33.34536 1.26405 1.82577 -33.14533 609.12682
5490.0000 -34.15269 -33.07933 1.07336 1.81881 -33.18761 640.94008
5495.0000 -34.41430 -33.40635 1.00795 1.82487 -33.15075 606.26816
5500.0000 -34.12109 -32.90546 1.21563 1.82087 -33.17511 604.66530
FREEZING PROCESS: loop number 23 T-loop= 609.00000000000000
main_MD> interactions number 23 at Temperature= 609.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63237 -0.17548 -3.56666
force_rgl> df(natom) 1.35511 -1.76562 -2.98273
5505.0000 -33.95604 -32.61313 1.34291 1.85815 -32.94836 627.68331
5510.0000 -34.10674 -32.61241 1.49433 1.88344 -32.79455 680.01131
5515.0000 -34.00940 -32.81518 1.19422 1.89665 -32.71417 701.76784
5520.0000 -34.15389 -33.16804 0.98584 1.84121 -33.05139 627.11538
5525.0000 -34.76482 -33.30870 1.45612 1.82359 -33.15854 569.68583
5530.0000 -34.54590 -33.40016 1.14574 1.81027 -33.23959 580.65888
5535.0000 -34.50250 -33.23504 1.26747 1.76839 -33.49432 522.18652
5540.0000 -34.29033 -33.17916 1.11117 1.78355 -33.40208 544.35689
5545.0000 -34.30921 -33.42738 0.88183 1.79005 -33.36255 552.48460
5550.0000 -34.34835 -33.26771 1.08064 1.74329 -33.64698 489.82351
5555.0000 -34.01471 -33.16729 0.84742 1.78244 -33.40882 578.40011
5560.0000 -34.63604 -33.39054 1.24549 1.81087 -33.23594 580.21585
5565.0000 -34.67528 -33.46967 1.20561 1.78669 -33.38300 537.65510
5570.0000 -34.11647 -32.73879 1.37767 1.82163 -33.17045 598.79606
5575.0000 -33.97460 -33.18113 0.79348 1.82702 -33.13772 618.56941
5580.0000 -34.39979 -33.35613 1.04365 1.81047 -33.23838 559.64104
5585.0000 -34.27785 -32.76757 1.51028 1.84095 -33.05295 640.52284
5590.0000 -34.49900 -33.23044 1.26856 1.81603 -33.20455 601.29651
5595.0000 -34.36064 -33.09183 1.26881 1.81215 -33.22814 570.26292
5600.0000 -33.96814 -32.87091 1.09723 1.84779 -33.01135 600.67826
5605.0000 -33.89367 -33.18629 0.70738 1.80138 -33.29363 551.08626
5610.0000 -34.29448 -33.34898 0.94550 1.81818 -33.19146 584.36566
5615.0000 -34.36086 -33.28517 1.07569 1.76604 -33.50857 529.76044
5620.0000 -33.95104 -32.73977 1.21127 1.84218 -33.04552 638.80538
5625.0000 -34.54541 -33.68298 0.86243 1.81774 -33.19414 621.30597
5630.0000 -34.34009 -33.42300 0.91709 1.74424 -33.64119 544.61992
5635.0000 -33.81926 -32.20279 1.61647 1.88297 -32.79739 639.74648
5640.0000 -34.45613 -32.52804 1.92810 1.97592 -32.23207 752.41598
5645.0000 -34.17693 -32.87266 1.30427 1.90633 -32.65530 687.17438
5650.0000 -33.95784 -32.60767 1.35017 1.85877 -32.94460 647.40997
5655.0000 -33.69286 -32.59175 1.10111 1.91705 -32.59009 716.80697
5660.0000 -34.23742 -33.04265 1.19477 1.84882 -33.00513 633.72202
5665.0000 -34.24269 -33.00040 1.24229 1.85731 -32.95347 614.07077
5670.0000 -34.50629 -33.43618 1.07011 1.82647 -33.14103 598.32024
5675.0000 -34.52710 -33.29567 1.23143 1.82035 -33.17828 583.74717
5680.0000 -34.16755 -32.43735 1.73020 1.89586 -32.71900 688.31823
5685.0000 -33.90473 -32.24172 1.66302 1.96042 -32.32636 812.61326
5690.0000 -33.99168 -32.81928 1.17240 1.94292 -32.43275 777.29221
5695.0000 -34.03614 -33.01178 1.02436 1.90011 -32.69315 725.42140
5700.0000 -34.11213 -32.95294 1.15920 1.84438 -33.03212 627.36992
5705.0000 -34.58471 -33.49885 1.08586 1.82769 -33.13363 632.32872
5710.0000 -34.53483 -33.40792 1.12692 1.78692 -33.38160 535.43020
5715.0000 -33.74691 -32.42096 1.32595 1.80174 -33.29147 573.42076
5720.0000 -33.84006 -32.81622 1.02384 1.89305 -32.73610 674.37264
5725.0000 -34.28969 -33.37560 0.91409 1.85298 -32.97977 612.00998
5730.0000 -34.29084 -32.93929 1.35155 1.77722 -33.44062 517.82599
5735.0000 -34.41589 -33.35378 1.06211 1.85289 -32.98034 683.11011
5740.0000 -34.54166 -33.41501 1.12666 1.75627 -33.56803 502.56435
5745.0000 -34.61697 -33.59710 1.01986 1.78877 -33.37035 535.89058
5750.0000 -34.54656 -33.36836 1.17820 1.81476 -33.21228 579.85129
FREEZING PROCESS: loop number 24 T-loop= 584.00000000000000
main_MD> interactions number 24 at Temperature= 584.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42820 -0.16349 2.10011
force_rgl> df(natom) -2.31100 0.88826 -0.43648
5755.0000 -34.59015 -33.48089 1.10926 1.74205 -33.65449 490.06582
5760.0000 -34.23667 -33.29640 0.94027 1.75065 -33.60217 500.06812
5765.0000 -34.42672 -33.84241 0.58431 1.72090 -33.78311 440.55420
5770.0000 -34.58030 -33.64628 0.93402 1.76596 -33.50907 527.24086
5775.0000 -34.71898 -33.38557 1.33341 1.76000 -33.54535 519.14877
5780.0000 -34.57234 -33.12338 1.44895 1.81763 -33.19478 593.54138
5785.0000 -34.09544 -33.02579 1.06965 1.84799 -33.01012 634.13216
5790.0000 -34.03367 -32.81277 1.22090 1.85766 -32.95131 585.84474
5795.0000 -34.23081 -33.22687 1.00394 1.83846 -33.06811 585.11782
5800.0000 -34.40070 -33.10216 1.29854 1.80394 -33.27804 565.31483
5805.0000 -34.00064 -32.74440 1.25624 1.84382 -33.03550 611.84989
5810.0000 -34.33538 -33.28418 1.05120 1.82718 -33.13671 589.83073
5815.0000 -34.00547 -33.01772 0.98775 1.84671 -33.01795 646.39734
5820.0000 -34.44803 -33.43556 1.01246 1.76008 -33.54483 490.76978
5825.0000 -34.23029 -33.20357 1.02672 1.80928 -33.24560 566.18721
5830.0000 -34.73778 -33.47990 1.25788 1.80894 -33.24765 567.42079
5835.0000 -34.13240 -33.34556 0.78683 1.76183 -33.53418 498.05454
5840.0000 -34.67964 -33.16110 1.51854 1.81338 -33.22068 548.17960
5845.0000 -34.38017 -33.18581 1.19436 1.82602 -33.14377 611.84402
5850.0000 -34.06963 -33.23321 0.83642 1.82535 -33.14782 608.82830
5855.0000 -34.70668 -33.51103 1.19565 1.80850 -33.25033 577.22726
5860.0000 -34.69217 -33.70980 0.98237 1.73620 -33.69011 481.78982
5865.0000 -34.41368 -33.14053 1.27315 1.79111 -33.35610 555.30036
5870.0000 -34.57475 -33.34524 1.22950 1.80215 -33.28894 554.80137
5875.0000 -34.17733 -32.95297 1.22436 1.80765 -33.25549 594.95650
5880.0000 -34.66666 -33.55469 1.11197 1.77891 -33.43033 530.61703
5885.0000 -34.50417 -33.65187 0.85231 1.75127 -33.59842 502.00408
5890.0000 -34.31518 -33.11272 1.20246 1.78330 -33.40362 533.40821
5895.0000 -34.37764 -33.64929 0.72835 1.78891 -33.36950 564.22420
5900.0000 -34.23752 -33.03644 1.20108 1.81327 -33.22134 592.07427
5905.0000 -34.32971 -32.93900 1.39071 1.82489 -33.15064 585.26661
5910.0000 -34.11943 -33.22322 0.89620 1.81745 -33.19593 585.19884
5915.0000 -34.39883 -33.01399 1.38484 1.77350 -33.46320 541.94688
5920.0000 -34.24209 -32.95140 1.29069 1.86193 -32.92536 676.81771
5925.0000 -33.97760 -32.51681 1.46079 1.91064 -32.62908 655.74184
5930.0000 -33.68534 -32.37436 1.31098 1.93934 -32.45453 657.55133
5935.0000 -34.09455 -32.99069 1.10386 1.90988 -32.63372 699.00937
5940.0000 -34.66747 -33.40258 1.26489 1.82303 -33.16198 579.51483
5945.0000 -34.77383 -33.38818 1.38565 1.74391 -33.64317 473.80877
5950.0000 -34.29254 -33.00257 1.28996 1.79855 -33.31085 594.83248
5955.0000 -34.09430 -33.35336 0.74094 1.84612 -33.02153 616.62785
5960.0000 -34.66366 -33.41995 1.24370 1.80390 -33.27830 542.11472
5965.0000 -34.82536 -33.81336 1.01199 1.75491 -33.57631 526.90515
5970.0000 -34.51209 -33.42064 1.09146 1.71782 -33.80188 471.45673
5975.0000 -34.73124 -33.87273 0.85850 1.75469 -33.57763 478.38387
5980.0000 -34.79212 -33.55668 1.23543 1.72037 -33.78639 432.97921
5985.0000 -34.84192 -33.79712 1.04480 1.73352 -33.70639 459.67741
5990.0000 -33.87768 -32.91744 0.96024 1.81845 -33.18980 620.40047
5995.0000 -33.87598 -32.99063 0.88536 1.86704 -32.89426 658.22905
6000.0000 -34.36486 -32.86215 1.50271 1.88535 -32.78294 681.59052
FREEZING PROCESS: loop number 25 T-loop= 559.00000000000000
main_MD> interactions number 25 at Temperature= 559.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45993 -0.48600 -0.05980
force_rgl> df(natom) 5.85301 2.71183 -0.06120
6005.0000 -34.16525 -33.17178 0.99347 1.85294 -32.98007 629.97861
6010.0000 -34.56090 -33.45326 1.10764 1.75758 -33.56002 493.44360
6015.0000 -34.53581 -33.45864 1.07717 1.78359 -33.40186 560.42419
6020.0000 -34.49904 -33.43379 1.06525 1.77776 -33.43732 524.37092
6025.0000 -34.12794 -32.70133 1.42661 1.83922 -33.06352 635.89770
6030.0000 -34.21777 -32.71793 1.49984 1.87771 -32.82941 707.03860
6035.0000 -34.07967 -32.72027 1.35939 1.88580 -32.78019 669.30160
6040.0000 -33.87860 -32.65643 1.22217 1.91914 -32.57740 734.95754
6045.0000 -34.60428 -33.20861 1.39567 1.87754 -32.83045 661.91332
6050.0000 -34.71980 -33.67145 1.04835 1.78995 -33.36314 537.68450
6055.0000 -34.54781 -33.28826 1.25955 1.79474 -33.33402 571.93092
6060.0000 -34.63463 -33.80498 0.82965 1.77384 -33.46112 539.67998
6065.0000 -34.46430 -33.39680 1.06750 1.72302 -33.77025 470.98212
6070.0000 -34.66957 -33.27128 1.39829 1.82252 -33.16505 586.99463
6075.0000 -34.45821 -33.61195 0.84626 1.80911 -33.24663 588.30868
6080.0000 -34.23288 -33.33645 0.89643 1.77179 -33.47359 513.69615
6085.0000 -33.34292 -32.44461 0.89830 1.88157 -32.80594 621.83857
6090.0000 -33.95806 -32.78967 1.16838 1.93005 -32.51106 660.20050
6095.0000 -34.31581 -33.46653 0.84928 1.84766 -33.01214 595.39525
6100.0000 -34.53052 -33.45901 1.07151 1.77791 -33.43638 504.58371
6105.0000 -33.81328 -32.56099 1.25228 1.83881 -33.06601 613.21359
6110.0000 -34.03866 -32.36155 1.67711 1.98898 -32.15262 775.30085
6115.0000 -34.00573 -32.82009 1.18564 1.88865 -32.76286 683.92335
6120.0000 -34.14245 -33.29564 0.84680 1.84536 -33.02615 654.83639
6125.0000 -34.63047 -33.58525 1.04522 1.82318 -33.16105 630.86039
6130.0000 -34.30244 -33.25796 1.04448 1.77267 -33.46825 533.09620
6135.0000 -34.44513 -33.33615 1.10897 1.77336 -33.46407 533.57163
6140.0000 -34.65947 -33.57822 1.08125 1.78914 -33.36811 560.99594
6145.0000 -34.21950 -33.12533 1.09416 1.78674 -33.38268 533.27750
6150.0000 -34.13880 -32.74180 1.39700 1.86288 -32.91957 620.78554
6155.0000 -34.40924 -33.14277 1.26647 1.83362 -33.09753 567.73531
6160.0000 -34.16403 -33.34549 0.81855 1.83632 -33.08114 593.75623
6165.0000 -34.16036 -33.07034 1.09002 1.81950 -33.18341 593.51889
6170.0000 -34.46241 -33.63449 0.82793 1.78799 -33.37511 568.42424
6175.0000 -34.58861 -33.66606 0.92255 1.74477 -33.63795 489.13118
6180.0000 -34.41639 -33.44957 0.96682 1.71872 -33.79638 440.11970
6185.0000 -34.65896 -33.54051 1.11845 1.77907 -33.42935 542.76193
6190.0000 -33.61964 -32.70878 0.91086 1.84644 -33.01960 617.61299
6195.0000 -34.16274 -33.10884 1.05389 1.88109 -32.80885 663.19714
6200.0000 -34.39234 -33.16238 1.22995 1.84641 -33.01978 593.24087
6205.0000 -34.05035 -32.95914 1.09121 1.83207 -33.10695 611.86670
6210.0000 -34.62884 -33.15927 1.46957 1.79275 -33.34615 567.37088
6215.0000 -34.44060 -33.16995 1.27065 1.84913 -33.00324 618.33872
6220.0000 -34.59149 -33.33580 1.25569 1.79168 -33.35266 547.14445
6225.0000 -34.28376 -33.48309 0.80067 1.77402 -33.46006 506.44415
6230.0000 -34.35620 -33.18409 1.17212 1.79139 -33.35439 547.46228
6235.0000 -34.46175 -33.24648 1.21526 1.82606 -33.14352 642.52951
6240.0000 -34.01635 -33.15539 0.86096 1.84031 -33.05687 625.95365
6245.0000 -34.15958 -33.26412 0.89546 1.81829 -33.19079 588.18218
6250.0000 -34.99625 -34.19887 0.79738 1.73501 -33.69732 500.00027
FREEZING PROCESS: loop number 26 T-loop= 534.00000000000000
main_MD> interactions number 26 at Temperature= 534.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72602 1.82173 1.05483
force_rgl> df(natom) -0.30349 -0.87487 1.45993
6255.0000 -34.28776 -33.47908 0.80868 1.74854 -33.61504 499.08035
6260.0000 -34.75628 -33.79500 0.96128 1.76698 -33.50287 531.12952
6265.0000 -34.54290 -33.46104 1.08186 1.74739 -33.62203 471.43556
6270.0000 -34.33759 -33.42526 0.91233 1.77458 -33.45666 559.15402
6275.0000 -34.46813 -33.50758 0.96055 1.76327 -33.52542 521.51658
6280.0000 -34.40278 -33.79123 0.61155 1.74494 -33.63692 502.12209
6285.0000 -34.52091 -33.27724 1.24367 1.74712 -33.62365 486.32338
6290.0000 -34.59211 -33.53954 1.05257 1.79080 -33.35798 578.60680
6295.0000 -34.16666 -33.36017 0.80650 1.76828 -33.49495 490.10939
6300.0000 -34.48646 -33.12929 1.35717 1.81287 -33.22376 591.96673
6305.0000 -34.55009 -33.51827 1.03182 1.75542 -33.57319 487.79374
6310.0000 -34.69322 -33.74463 0.94859 1.74830 -33.61647 486.33451
6315.0000 -34.53826 -33.55135 0.98691 1.72678 -33.74735 429.84516
6320.0000 -34.39146 -33.39565 0.99581 1.77708 -33.44146 550.09863
6325.0000 -34.40647 -33.18625 1.22021 1.83858 -33.06740 652.99129
6330.0000 -34.59090 -33.26515 1.32575 1.81748 -33.19570 558.67155
6335.0000 -34.10357 -33.21183 0.89173 1.78871 -33.37073 528.93955
6340.0000 -34.56025 -33.74339 0.81686 1.75847 -33.55462 505.77968
6345.0000 -34.24802 -33.63293 0.61509 1.76159 -33.53568 507.78923
6350.0000 -34.84728 -33.54848 1.29881 1.74791 -33.61886 482.57069
6355.0000 -34.15498 -33.03684 1.11814 1.77584 -33.44898 520.88685
6360.0000 -34.54544 -32.95644 1.58901 1.84082 -33.05377 604.80513
6365.0000 -34.49614 -33.32932 1.16682 1.80666 -33.26152 577.40007
6370.0000 -34.29642 -33.38299 0.91342 1.74471 -33.63834 491.32510
6375.0000 -34.52784 -33.58411 0.94373 1.75029 -33.60438 484.79663
6380.0000 -34.22033 -32.83447 1.38586 1.79280 -33.34584 540.63991
6385.0000 -34.34268 -33.28248 1.06020 1.82714 -33.13694 602.24661
6390.0000 -34.28643 -33.46881 0.81761 1.80047 -33.29915 530.28707
6395.0000 -34.66401 -33.68231 0.98170 1.74126 -33.65933 474.88460
6400.0000 -34.56462 -33.46529 1.09933 1.74608 -33.63000 495.41837
6405.0000 -34.64348 -33.71388 0.92960 1.77309 -33.46572 518.69145
6410.0000 -34.43082 -33.37558 1.05524 1.72404 -33.76402 454.15654
6415.0000 -34.75322 -33.41659 1.33662 1.79897 -33.30831 570.09411
6420.0000 -34.02331 -32.86702 1.15629 1.82991 -33.12012 618.72168
6425.0000 -34.54506 -33.78175 0.76331 1.81683 -33.19966 587.56110
6430.0000 -34.46505 -33.76049 0.70456 1.72003 -33.78844 439.18790
6435.0000 -34.60102 -33.88562 0.71540 1.68828 -33.98156 406.55130
6440.0000 -34.34713 -33.36901 0.97812 1.71109 -33.84283 443.23634
6445.0000 -34.67898 -33.49419 1.18479 1.80539 -33.26923 560.34125
6450.0000 -34.76004 -33.64685 1.11319 1.75693 -33.56398 507.16119
6455.0000 -34.70993 -33.75382 0.95611 1.71524 -33.81755 453.85976
6460.0000 -34.25456 -33.75642 0.49814 1.72323 -33.76899 438.92450
6465.0000 -34.28667 -33.03145 1.25523 1.76699 -33.50283 528.00770
6470.0000 -34.44782 -33.58654 0.86127 1.79631 -33.32447 556.08429
6475.0000 -34.82343 -33.68126 1.14216 1.76699 -33.50278 532.89904
6480.0000 -34.32775 -33.25809 1.06965 1.76341 -33.52458 527.62151
6485.0000 -34.46211 -33.36293 1.09918 1.80496 -33.27184 594.11756
6490.0000 -34.49530 -33.72714 0.76816 1.77046 -33.48170 514.58853
6495.0000 -34.78626 -33.81415 0.97211 1.75430 -33.58002 498.86102
6500.0000 -34.66877 -33.52770 1.14107 1.73163 -33.71791 480.23491
FREEZING PROCESS: loop number 27 T-loop= 509.00000000000000
main_MD> interactions number 27 at Temperature= 509.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94954 -0.80269 -1.40293
force_rgl> df(natom) -0.08883 -2.85195 0.56199
6505.0000 -34.52481 -33.59092 0.93389 1.77055 -33.48117 522.19528
6510.0000 -34.63369 -33.81596 0.81773 1.73657 -33.68781 483.57050
6515.0000 -34.50443 -33.51208 0.99235 1.75248 -33.59108 509.34266
6520.0000 -34.65828 -33.79675 0.86153 1.72314 -33.76952 433.64872
6525.0000 -34.83243 -34.08109 0.75135 1.70277 -33.89341 420.96014
6530.0000 -34.62064 -33.75291 0.86773 1.71288 -33.83193 425.83580
6535.0000 -34.67147 -34.07237 0.59910 1.71858 -33.79727 442.69583
6540.0000 -34.83039 -34.16048 0.66990 1.65453 -34.18680 342.85963
6545.0000 -34.72926 -33.56328 1.16598 1.69758 -33.92498 420.54976
6550.0000 -34.79844 -33.60010 1.19834 1.77523 -33.45267 560.97813
6555.0000 -34.64575 -33.60475 1.04100 1.73669 -33.68708 494.74887
6560.0000 -33.99110 -32.65129 1.33981 1.83861 -33.06719 607.64974
6565.0000 -34.32561 -33.48356 0.84205 1.84215 -33.04570 610.17761
6570.0000 -34.51402 -33.44508 1.06894 1.79940 -33.30566 557.28604
6575.0000 -34.23257 -33.35836 0.87422 1.78391 -33.39993 526.80891
6580.0000 -34.42271 -33.64873 0.77397 1.76667 -33.50475 524.90298
6585.0000 -34.69986 -33.62884 1.07102 1.70569 -33.87563 444.85624
6590.0000 -34.51641 -33.66787 0.84853 1.74029 -33.66522 493.43515
6595.0000 -34.89415 -33.59840 1.29576 1.73888 -33.67376 483.82866
6600.0000 -34.35819 -33.24345 1.11474 1.78896 -33.36920 548.41837
6605.0000 -34.65557 -33.46147 1.19410 1.77964 -33.42588 525.78078
6610.0000 -34.42451 -33.00489 1.41962 1.80489 -33.27232 546.89976
6615.0000 -34.41905 -33.83551 0.58354 1.84846 -33.00729 615.26089
6620.0000 -34.28431 -33.33539 0.94891 1.77561 -33.45037 558.85659
6625.0000 -34.53430 -33.34961 1.18469 1.77726 -33.44034 530.45414
6630.0000 -34.42795 -33.39045 1.03750 1.75894 -33.55180 527.86066
6635.0000 -34.23527 -33.43121 0.80406 1.76164 -33.53537 520.48678
6640.0000 -34.55890 -33.47196 1.08694 1.78218 -33.41040 559.33262
6645.0000 -34.65176 -33.19873 1.45303 1.75108 -33.59958 502.78084
6650.0000 -34.38984 -33.31511 1.07473 1.79012 -33.36213 574.61736
6655.0000 -34.37447 -33.16899 1.20548 1.82105 -33.17398 593.27024
6660.0000 -34.58336 -33.20304 1.38032 1.79985 -33.30292 582.91444
6665.0000 -34.63398 -33.48263 1.15135 1.78008 -33.42317 558.08525
6670.0000 -34.67610 -34.10872 0.56738 1.72027 -33.78699 435.25400
6675.0000 -34.59385 -33.78784 0.80601 1.69671 -33.93028 400.00834
6680.0000 -34.67157 -33.86726 0.80431 1.69661 -33.93085 419.62779
6685.0000 -34.50806 -33.41199 1.09607 1.74539 -33.63419 504.15375
6690.0000 -34.35085 -32.89406 1.45678 1.81845 -33.18981 610.62608
6695.0000 -34.66704 -33.65707 1.00998 1.80725 -33.25791 528.13593
6700.0000 -34.23536 -33.63627 0.59909 1.71649 -33.80994 436.80202
6705.0000 -34.74485 -33.89454 0.85031 1.73115 -33.72079 457.33451
6710.0000 -34.71904 -33.44108 1.27796 1.72183 -33.77747 462.27048
6715.0000 -34.47548 -33.55046 0.92502 1.75665 -33.56571 486.68893
6720.0000 -34.96081 -33.88849 1.07232 1.74779 -33.61961 513.38563
6725.0000 -34.60260 -33.83736 0.76524 1.71855 -33.79745 437.20774
6730.0000 -34.67465 -33.85970 0.81495 1.72075 -33.78408 445.08321
6735.0000 -34.43184 -33.68799 0.74385 1.70464 -33.88202 437.44688
6740.0000 -34.76678 -33.60535 1.16143 1.77809 -33.43532 530.33014
6745.0000 -34.76608 -33.90116 0.86493 1.73516 -33.69642 465.11680
6750.0000 -34.39521 -33.36763 1.02758 1.75518 -33.57462 519.78191
FREEZING PROCESS: loop number 28 T-loop= 484.00000000000000
main_MD> interactions number 28 at Temperature= 484.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26938 -2.11395 -1.71240
force_rgl> df(natom) -1.85996 -0.41438 1.36578
6755.0000 -34.63616 -33.09906 1.53710 1.80373 -33.27936 567.06007
6760.0000 -34.41944 -33.50574 0.91370 1.81042 -33.23867 568.93226
6765.0000 -34.25155 -32.82051 1.43104 1.79147 -33.35393 527.23138
6770.0000 -34.61938 -33.49953 1.11984 1.78315 -33.40454 556.55778
6775.0000 -34.66873 -33.87240 0.79632 1.73772 -33.68081 472.84974
6780.0000 -34.46612 -33.58072 0.88540 1.74739 -33.62199 489.36695
6785.0000 -34.82549 -34.24697 0.57852 1.70337 -33.88974 439.78971
6790.0000 -35.10644 -34.03398 1.07246 1.65404 -34.18981 353.65846
6795.0000 -34.18901 -33.60563 0.58338 1.71903 -33.79454 449.58633
6800.0000 -34.50348 -33.63615 0.86733 1.75945 -33.54867 488.89478
6805.0000 -34.60747 -33.70878 0.89869 1.77533 -33.45207 535.47161
6810.0000 -34.79900 -33.74103 1.05797 1.75699 -33.56365 533.36235
6815.0000 -34.83815 -34.00803 0.83012 1.70554 -33.87654 442.48760
6820.0000 -34.78376 -33.55054 1.23322 1.70852 -33.85841 423.91893
6825.0000 -34.35476 -33.43825 0.91652 1.73760 -33.68159 473.78169
6830.0000 -34.55745 -33.77283 0.78462 1.74176 -33.65627 527.58505
6835.0000 -34.87056 -33.95439 0.91616 1.69245 -33.95616 426.81164
6840.0000 -34.73795 -33.62222 1.11573 1.72434 -33.76222 443.89380
6845.0000 -34.60058 -33.41479 1.18578 1.77540 -33.45165 530.41544
6850.0000 -34.63853 -33.40415 1.23438 1.77688 -33.44263 534.79518
6855.0000 -34.69730 -33.73250 0.96480 1.74664 -33.62656 505.28357
6860.0000 -34.52524 -33.68348 0.84176 1.73691 -33.68576 493.78800
6865.0000 -34.62205 -33.73592 0.88613 1.70836 -33.85944 427.18320
6870.0000 -34.87975 -34.14467 0.73508 1.72040 -33.78615 442.34891
6875.0000 -34.40648 -33.87112 0.53536 1.69557 -33.93719 421.59715
6880.0000 -34.69500 -34.12770 0.56730 1.69861 -33.91874 413.56389
6885.0000 -34.73991 -33.89331 0.84660 1.71316 -33.83022 427.29718
6890.0000 -34.26717 -33.26136 1.00582 1.75225 -33.59248 511.80511
6895.0000 -34.37713 -33.40748 0.96965 1.76522 -33.51357 496.14085
6900.0000 -34.54851 -33.71977 0.82874 1.78758 -33.37757 476.89869
6905.0000 -34.69257 -33.40990 1.28266 1.80170 -33.29167 558.17113
6910.0000 -34.74775 -33.45052 1.29722 1.75873 -33.55305 531.87166
6915.0000 -34.70217 -34.06897 0.63320 1.69993 -33.91070 426.78879
6920.0000 -34.74559 -34.11876 0.62683 1.66172 -34.14309 353.90327
6925.0000 -34.64426 -33.33343 1.31083 1.74814 -33.61744 478.49445
6930.0000 -34.66553 -33.43215 1.23338 1.75432 -33.57985 499.32230
6935.0000 -34.67140 -33.65635 1.01505 1.76916 -33.48963 522.68884
6940.0000 -34.15573 -33.38483 0.77090 1.77326 -33.46470 531.20793
6945.0000 -34.94362 -33.86874 1.07488 1.73759 -33.68163 460.81352
6950.0000 -34.68638 -33.69917 0.98721 1.70113 -33.90341 417.21931
6955.0000 -34.26927 -33.25460 1.01467 1.76891 -33.49116 500.78140
6960.0000 -34.17748 -33.51611 0.66136 1.75852 -33.55432 452.05546
6965.0000 -34.58954 -33.80857 0.78097 1.74092 -33.66138 450.14055
6970.0000 -34.59301 -33.83787 0.75514 1.73440 -33.70102 476.39360
6975.0000 -34.64206 -33.86605 0.77601 1.68718 -33.98823 401.68724
6980.0000 -34.62606 -33.66665 0.95941 1.72810 -33.73933 455.74142
6985.0000 -34.46145 -33.56805 0.89340 1.73936 -33.67085 481.89014
6990.0000 -34.62417 -33.58615 1.03802 1.72958 -33.73035 480.10798
6995.0000 -34.89525 -33.85560 1.03964 1.71810 -33.80014 486.27093
7000.0000 -34.63473 -33.50301 1.13171 1.72026 -33.78700 452.64886
FREEZING PROCESS: loop number 29 T-loop= 459.00000000000000
main_MD> interactions number 29 at Temperature= 459.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39641 0.33312 -1.33577
force_rgl> df(natom) -0.77706 1.20383 2.15989
7005.0000 -34.28248 -33.53543 0.74705 1.78570 -33.38901 532.56809
7010.0000 -34.25513 -33.11710 1.13803 1.77516 -33.45313 517.08263
7015.0000 -34.85220 -33.84111 1.01109 1.75952 -33.54825 506.89781
7020.0000 -34.54246 -33.79016 0.75230 1.74405 -33.64235 494.68912
7025.0000 -35.00008 -34.33640 0.66367 1.64882 -34.22156 344.00575
7030.0000 -34.61645 -33.94527 0.67118 1.65925 -34.15809 357.99809
7035.0000 -34.71952 -33.90543 0.81410 1.71367 -33.82710 441.60267
7040.0000 -34.54654 -33.91666 0.62988 1.68018 -34.03082 377.59581
7045.0000 -34.97279 -34.27053 0.70227 1.67852 -34.04088 389.85460
7050.0000 -34.80992 -34.05951 0.75041 1.65761 -34.16805 361.46244
7055.0000 -34.81995 -34.08635 0.73361 1.69945 -33.91361 425.37110
7060.0000 -34.76298 -33.99136 0.77162 1.69814 -33.92158 404.37093
7065.0000 -34.57013 -33.62570 0.94443 1.70625 -33.87224 429.47865
7070.0000 -34.42250 -33.12617 1.29633 1.78696 -33.38133 534.35445
7075.0000 -34.73195 -33.72939 1.00256 1.77179 -33.47360 510.95634
7080.0000 -34.87506 -33.81312 1.06194 1.70259 -33.89448 422.44750
7085.0000 -34.64833 -33.65678 0.99155 1.72929 -33.73213 461.00182
7090.0000 -34.77575 -33.98748 0.78827 1.73178 -33.71699 468.86477
7095.0000 -34.46301 -33.22327 1.23974 1.73992 -33.66744 487.02636
7100.0000 -34.66840 -33.73776 0.93064 1.75916 -33.55044 504.39489
7105.0000 -34.67186 -33.78571 0.88616 1.71891 -33.79523 449.40428
7110.0000 -34.21385 -33.40425 0.80960 1.73661 -33.68756 449.11014
7115.0000 -34.58471 -33.60100 0.98372 1.75136 -33.59790 495.97471
7120.0000 -34.53793 -33.80805 0.72987 1.71883 -33.79573 445.41802
7125.0000 -34.89138 -33.96332 0.92806 1.74542 -33.63397 501.63546
7130.0000 -34.93625 -34.34245 0.59380 1.67269 -34.07636 407.19452
7135.0000 -34.72832 -34.01244 0.71588 1.65981 -34.15468 355.34181
7140.0000 -34.75292 -33.95097 0.80195 1.71224 -33.83582 435.71785
7145.0000 -34.62230 -33.87627 0.74603 1.72952 -33.73073 458.29590
7150.0000 -34.28965 -33.23565 1.05401 1.73621 -33.69001 404.32452
7155.0000 -34.62899 -34.00683 0.62216 1.74090 -33.66152 453.45938
7160.0000 -34.46852 -33.39070 1.07782 1.76211 -33.53247 502.44921
7165.0000 -34.57078 -33.44380 1.12698 1.79812 -33.31346 563.74769
7170.0000 -34.57818 -33.38549 1.19269 1.81362 -33.21917 603.22398
7175.0000 -34.86445 -34.06870 0.79576 1.75498 -33.57589 505.14529
7180.0000 -34.61660 -33.75997 0.85664 1.69650 -33.93155 428.77470
7185.0000 -34.95890 -33.79575 1.16315 1.70854 -33.85831 447.95699
7190.0000 -34.51681 -33.65297 0.86384 1.73488 -33.69813 493.41697
7195.0000 -34.76198 -33.98297 0.77901 1.73130 -33.71991 466.98303
7200.0000 -34.57338 -33.69437 0.87901 1.73448 -33.70055 467.45548
7205.0000 -34.67842 -33.85917 0.81924 1.72982 -33.72887 478.41967
7210.0000 -34.97508 -33.85754 1.11754 1.71477 -33.82045 454.74096
7215.0000 -34.86867 -34.12888 0.73979 1.70532 -33.87791 421.46211
7220.0000 -34.83096 -33.93767 0.89329 1.69509 -33.94011 412.64539
7225.0000 -34.81538 -34.23236 0.58302 1.68521 -34.00021 421.45234
7230.0000 -34.47585 -33.60386 0.87198 1.69043 -33.96847 407.26016
7235.0000 -34.70702 -33.73569 0.97133 1.73107 -33.72128 494.13990
7240.0000 -34.62154 -33.54878 1.07276 1.74097 -33.66105 495.03315
7245.0000 -34.30283 -33.56527 0.73756 1.73053 -33.72457 419.13247
7250.0000 -34.67410 -33.99472 0.67938 1.71447 -33.82223 437.38167
FREEZING PROCESS: loop number 30 T-loop= 434.00000000000000
main_MD> interactions number 30 at Temperature= 434.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47884 -0.07382 0.11493
force_rgl> df(natom) 2.07505 -1.61922 -0.17320
7255.0000 -34.79503 -33.78907 1.00596 1.70276 -33.89345 427.42717
7260.0000 -34.73995 -33.98896 0.75100 1.70559 -33.87625 431.86935
7265.0000 -34.59741 -34.01672 0.58069 1.66364 -34.13144 357.44348
7270.0000 -34.61187 -33.82337 0.78850 1.70036 -33.90805 423.29338
7275.0000 -34.77509 -33.70556 1.06953 1.71096 -33.84359 462.70152
7280.0000 -34.69460 -33.81594 0.87866 1.72055 -33.78527 435.62632
7285.0000 -34.95711 -33.94615 1.01095 1.69831 -33.92051 436.02827
7290.0000 -34.70337 -33.73241 0.97096 1.71836 -33.79861 458.56084
7295.0000 -34.71002 -33.75923 0.95079 1.72915 -33.73294 441.70458
7300.0000 -34.84296 -34.12803 0.71492 1.69217 -33.95788 443.18978
7305.0000 -34.68987 -34.08592 0.60394 1.67894 -34.03833 383.08098
7310.0000 -34.85450 -34.14776 0.70674 1.66502 -34.12299 365.28558
7315.0000 -34.71531 -33.83466 0.88065 1.69338 -33.95054 407.72898
7320.0000 -35.03696 -34.23188 0.80509 1.72798 -33.74010 460.43609
7325.0000 -34.83413 -34.06866 0.76547 1.66187 -34.14218 390.59777
7330.0000 -34.56277 -33.73725 0.82552 1.67541 -34.05980 397.76540
7335.0000 -34.71225 -33.80737 0.90488 1.72615 -33.75121 447.38117
7340.0000 -34.75585 -33.98116 0.77469 1.70662 -33.86997 421.73327
7345.0000 -34.39517 -33.36951 1.02566 1.73991 -33.66752 493.66720
7350.0000 -34.58751 -33.62219 0.96532 1.73961 -33.66937 514.10994
7355.0000 -34.72572 -33.95352 0.77219 1.73196 -33.71587 462.13614
7360.0000 -34.82853 -34.08040 0.74813 1.69549 -33.93766 404.06175
7365.0000 -34.35422 -33.54132 0.81290 1.68970 -33.97291 400.95492
7370.0000 -34.78873 -33.83015 0.95858 1.75406 -33.58146 482.97389
7375.0000 -34.78725 -34.12416 0.66310 1.68273 -34.01531 384.01305
7380.0000 -34.97359 -34.25792 0.71566 1.68346 -34.01086 379.19865
7385.0000 -34.18946 -33.31707 0.87239 1.70202 -33.89800 419.45455
7390.0000 -34.82243 -33.81079 1.01164 1.75344 -33.58523 508.23389
7395.0000 -34.64367 -34.01237 0.63129 1.70050 -33.90723 431.14025
7400.0000 -34.82128 -34.13971 0.68156 1.67313 -34.07368 389.06162
7405.0000 -34.87211 -33.98765 0.88445 1.67382 -34.06949 378.61296
7410.0000 -34.86408 -34.19955 0.66453 1.67905 -34.03768 393.13690
7415.0000 -34.55780 -33.82039 0.73742 1.69145 -33.96226 400.42323
7420.0000 -34.72583 -33.91398 0.81185 1.70704 -33.86743 453.81592
7425.0000 -34.90893 -34.16956 0.73937 1.67923 -34.03660 388.82946
7430.0000 -34.72521 -34.02181 0.70339 1.67237 -34.07833 367.21216
7435.0000 -34.59860 -33.67310 0.92550 1.72224 -33.77500 443.50915
7440.0000 -34.82790 -33.84576 0.98214 1.73768 -33.68108 475.58891
7445.0000 -34.68096 -34.00557 0.67540 1.73513 -33.69660 497.00462
7450.0000 -34.56508 -33.89443 0.67065 1.68596 -33.99567 393.54479
7455.0000 -34.66749 -33.96749 0.70000 1.69089 -33.96568 398.42130
7460.0000 -34.78463 -34.08030 0.70432 1.69843 -33.91980 424.89008
7465.0000 -34.82438 -33.82466 0.99972 1.67100 -34.08663 386.19683
7470.0000 -34.68733 -33.89604 0.79129 1.69900 -33.91632 433.97713
7475.0000 -34.72468 -34.20045 0.52424 1.68862 -33.97950 407.33172
7480.0000 -34.93683 -33.82033 1.11650 1.67204 -34.08030 384.88278
7485.0000 -34.52466 -33.54212 0.98254 1.73891 -33.67360 468.74098
7490.0000 -34.82097 -33.99868 0.82229 1.70680 -33.86891 420.02249
7495.0000 -34.78147 -34.01919 0.76228 1.69691 -33.92906 442.92472
7500.0000 -34.56884 -33.91745 0.65139 1.68473 -34.00316 402.92243
FREEZING PROCESS: loop number 31 T-loop= 409.00000000000000
main_MD> interactions number 31 at Temperature= 409.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63394 -0.28534 0.81359
force_rgl> df(natom) 0.03314 -0.87466 0.34712
7505.0000 -34.64441 -33.85511 0.78930 1.70205 -33.89779 440.64721
7510.0000 -34.77094 -34.26817 0.50277 1.67302 -34.07438 376.81930
7515.0000 -34.89132 -34.36387 0.52744 1.63045 -34.33326 305.19596
7520.0000 -34.87920 -34.11802 0.76118 1.65242 -34.19968 347.32276
7525.0000 -34.60639 -33.87308 0.73330 1.68244 -34.01704 399.52060
7530.0000 -34.57818 -33.82881 0.74937 1.72219 -33.77527 458.60940
7535.0000 -34.73421 -33.76688 0.96733 1.72755 -33.74269 475.67641
7540.0000 -34.99430 -34.30129 0.69301 1.69944 -33.91364 420.69842
7545.0000 -34.69814 -34.03284 0.66530 1.65169 -34.20410 340.49280
7550.0000 -34.97335 -34.11903 0.85432 1.65859 -34.16214 357.78365
7555.0000 -35.02704 -34.41346 0.61359 1.64612 -34.23794 337.17780
7560.0000 -34.81121 -34.31912 0.49208 1.63778 -34.28872 321.28905
7565.0000 -34.52429 -34.05265 0.47164 1.67972 -34.03362 363.15623
7570.0000 -34.85895 -34.13413 0.72482 1.67126 -34.08508 375.59980
7575.0000 -34.66665 -33.94404 0.72261 1.67050 -34.08969 364.66437
7580.0000 -34.95364 -34.04973 0.90391 1.67345 -34.07172 391.16779
7585.0000 -34.98113 -34.33852 0.64261 1.64801 -34.22646 343.44428
7590.0000 -34.49049 -33.80737 0.68313 1.68076 -34.02726 381.78738
7595.0000 -34.70564 -33.95604 0.74961 1.69753 -33.92527 432.68842
7600.0000 -34.78633 -34.04952 0.73681 1.68256 -34.01636 403.02374
7605.0000 -34.70100 -33.96384 0.73716 1.67486 -34.06317 390.14991
7610.0000 -34.73223 -33.91895 0.81328 1.67353 -34.07123 372.83629
7615.0000 -34.81323 -33.99789 0.81534 1.70166 -33.90018 441.23391
7620.0000 -34.70313 -33.91930 0.78383 1.69367 -33.94877 410.38919
7625.0000 -34.61504 -33.69328 0.92177 1.70688 -33.86840 405.76881
7630.0000 -34.80920 -33.64397 1.16523 1.71965 -33.79076 458.04743
7635.0000 -34.85018 -33.97500 0.87518 1.69011 -33.97041 391.38850
7640.0000 -34.74411 -33.72503 1.01908 1.67446 -34.06560 376.56051
7645.0000 -34.57844 -33.85150 0.72694 1.72709 -33.74550 450.30934
7650.0000 -35.01219 -34.15680 0.85539 1.69658 -33.93107 394.26391
7655.0000 -34.84238 -34.21772 0.62466 1.65983 -34.15458 356.74276
7660.0000 -34.90756 -34.11537 0.79218 1.66764 -34.10709 382.90940
7665.0000 -34.84540 -34.25974 0.58566 1.64908 -34.21997 346.77475
7670.0000 -34.98959 -34.53804 0.45155 1.60682 -34.47699 277.86169
7675.0000 -34.99795 -34.16049 0.83746 1.63723 -34.29205 342.24775
7680.0000 -34.78771 -34.12674 0.66097 1.68429 -34.00583 402.67938
7685.0000 -34.96628 -34.07555 0.89073 1.67679 -34.05144 374.51708
7690.0000 -34.98300 -34.05659 0.92640 1.68029 -34.03012 390.07386
7695.0000 -34.73953 -34.18557 0.55396 1.69060 -33.96745 413.14027
7700.0000 -34.83602 -34.34910 0.48692 1.65473 -34.18557 360.84664
7705.0000 -34.81540 -34.01476 0.80065 1.66514 -34.12228 382.10783
7710.0000 -34.84402 -34.07374 0.77028 1.65654 -34.17457 362.74163
7715.0000 -34.95438 -34.14491 0.80947 1.67136 -34.08447 373.27609
7720.0000 -34.86684 -34.22178 0.64507 1.63721 -34.29217 325.40561
7725.0000 -34.48258 -33.90278 0.57981 1.66949 -34.09581 381.78782
7730.0000 -34.66692 -33.63971 1.02721 1.71620 -33.81175 444.01038
7735.0000 -34.79247 -33.68860 1.10387 1.75477 -33.57714 504.22899
7740.0000 -34.40443 -33.76740 0.63703 1.75501 -33.57567 485.10669
7745.0000 -34.76341 -33.80808 0.95532 1.69993 -33.91068 407.79176
7750.0000 -34.66103 -34.09731 0.56372 1.69140 -33.96255 391.16179
FREEZING PROCESS: loop number 32 T-loop= 384.00000000000000
main_MD> interactions number 32 at Temperature= 384.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.56732 -0.22182 0.54376
force_rgl> df(natom) -2.97103 -0.87353 -0.81964
7755.0000 -34.76616 -34.08901 0.67715 1.68326 -34.01206 389.98780
7760.0000 -34.55794 -34.05305 0.50489 1.64980 -34.21556 343.78770
7765.0000 -34.67643 -33.89279 0.78364 1.67202 -34.08042 374.56933
7770.0000 -35.00944 -33.81319 1.19625 1.69671 -33.93025 411.95934
7775.0000 -34.79591 -34.14718 0.64873 1.67161 -34.08294 376.95927
7780.0000 -34.77471 -34.15765 0.61706 1.66568 -34.11901 358.71722
7785.0000 -34.80816 -34.11488 0.69328 1.65002 -34.21423 352.36214
7790.0000 -34.66816 -33.88039 0.78777 1.67330 -34.07266 353.67726
7795.0000 -34.25338 -33.47261 0.78077 1.72809 -33.73943 460.90788
7800.0000 -34.77828 -33.88453 0.89375 1.74695 -33.62468 488.38545
7805.0000 -35.04223 -34.00368 1.03855 1.67869 -34.03985 386.69394
7810.0000 -34.62268 -34.17321 0.44947 1.67419 -34.06726 413.29726
7815.0000 -34.99449 -34.23255 0.76195 1.63851 -34.28423 331.10751
7820.0000 -34.83888 -34.31106 0.52782 1.64433 -34.24882 329.01390
7825.0000 -34.84214 -34.31309 0.52905 1.63639 -34.29716 344.88888
7830.0000 -34.92706 -34.25553 0.67153 1.64524 -34.24334 331.28153
7835.0000 -34.93647 -34.28959 0.64688 1.63969 -34.27706 336.67333
7840.0000 -34.91090 -34.36974 0.54116 1.62402 -34.37236 288.92260
7845.0000 -34.66164 -33.80855 0.85309 1.66011 -34.15288 361.42353
7850.0000 -34.85275 -33.87020 0.98255 1.68278 -34.01498 409.76619
7855.0000 -34.91194 -34.12708 0.78486 1.67927 -34.03636 384.32986
7860.0000 -34.78375 -33.84425 0.93950 1.65489 -34.18462 351.75014
7865.0000 -34.67366 -33.78445 0.88921 1.68590 -33.99600 429.02514
7870.0000 -34.72650 -33.91318 0.81331 1.68408 -34.00706 407.93332
7875.0000 -34.55703 -33.73754 0.81948 1.71997 -33.78878 459.17249
7880.0000 -34.66876 -33.94674 0.72202 1.70703 -33.86747 427.40635
7885.0000 -34.72254 -34.04660 0.67594 1.65070 -34.21011 336.69166
7890.0000 -34.81778 -34.20277 0.61501 1.66031 -34.15167 346.28308
7895.0000 -34.82673 -34.06242 0.76431 1.65562 -34.18017 358.15653
7900.0000 -34.96673 -34.16288 0.80385 1.67988 -34.03261 384.93460
7905.0000 -34.94904 -34.51798 0.43107 1.62320 -34.37737 283.98363
7910.0000 -34.82642 -34.12873 0.69769 1.63775 -34.28884 327.58037
7915.0000 -34.59510 -33.72281 0.87229 1.71274 -33.83274 431.42767
7920.0000 -34.13270 -33.58368 0.54902 1.70245 -33.89535 413.72490
7925.0000 -34.75128 -33.94265 0.80864 1.70463 -33.88209 424.00627
7930.0000 -34.71357 -33.95187 0.76170 1.66562 -34.11934 374.04012
7935.0000 -34.99632 -34.43885 0.55748 1.64377 -34.25223 343.97467
7940.0000 -34.85810 -34.09592 0.76218 1.63673 -34.29508 344.40821
7945.0000 -34.68120 -33.83523 0.84597 1.66786 -34.10571 388.09556
7950.0000 -34.66020 -33.91415 0.74605 1.69646 -33.93177 414.39545
7955.0000 -34.93585 -34.05043 0.88543 1.68420 -34.00635 387.54421
7960.0000 -34.90632 -34.02914 0.87717 1.65595 -34.17815 342.15975
7965.0000 -34.51971 -33.88253 0.63718 1.70338 -33.88972 435.96469
7970.0000 -34.90099 -34.19559 0.70540 1.66251 -34.13829 347.52616
7975.0000 -34.55539 -33.77259 0.78280 1.68496 -34.00172 405.07101
7980.0000 -34.75610 -34.06205 0.69405 1.71637 -33.81071 453.98131
7985.0000 -34.56878 -33.87260 0.69619 1.69090 -33.96562 417.58628
7990.0000 -34.65554 -33.79416 0.86137 1.72261 -33.77275 444.22814
7995.0000 -34.65095 -34.04868 0.60227 1.70127 -33.90254 408.22660
8000.0000 -34.67025 -33.92051 0.74974 1.68610 -33.99480 403.58051
FREEZING PROCESS: loop number 33 T-loop= 359.00000000000000
main_MD> interactions number 33 at Temperature= 359.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15967 -0.27814 2.21059
force_rgl> df(natom) 2.11427 -0.95872 -1.92404
8005.0000 -34.64890 -33.96369 0.68520 1.69114 -33.96416 409.92952
8010.0000 -34.96797 -34.29529 0.67269 1.67673 -34.05177 390.50968
8015.0000 -34.88114 -34.13517 0.74598 1.65512 -34.18322 354.44472
8020.0000 -35.01091 -34.13758 0.87333 1.70652 -33.87058 442.66524
8025.0000 -34.72819 -33.87039 0.85780 1.66821 -34.10361 401.00923
8030.0000 -35.10445 -33.90035 1.20410 1.69400 -33.94674 409.23455
8035.0000 -34.72641 -34.07274 0.65367 1.67675 -34.05169 387.49942
8040.0000 -34.48828 -33.90296 0.58532 1.68168 -34.02169 412.72020
8045.0000 -34.61344 -34.11989 0.49355 1.65982 -34.15461 361.09979
8050.0000 -34.80858 -34.05128 0.75730 1.66074 -34.14903 339.59207
8055.0000 -34.47506 -33.39436 1.08070 1.73218 -33.71451 465.22026
8060.0000 -34.86552 -34.14130 0.72422 1.70159 -33.90061 406.07386
8065.0000 -34.68432 -34.05985 0.62447 1.66943 -34.09620 384.37144
8070.0000 -34.66810 -34.11306 0.55504 1.65788 -34.16644 354.16976
8075.0000 -34.64666 -34.20297 0.44369 1.70624 -33.87230 425.03338
8080.0000 -35.00696 -34.41914 0.58782 1.65849 -34.16273 360.72051
8085.0000 -35.00106 -34.38048 0.62058 1.61390 -34.43391 287.91149
8090.0000 -34.85504 -34.25967 0.59537 1.63778 -34.28868 325.25844
8095.0000 -34.89897 -34.32421 0.57476 1.63826 -34.28578 318.12571
8100.0000 -34.83834 -34.17458 0.66376 1.63107 -34.32949 313.31135
8105.0000 -34.91469 -34.34431 0.57038 1.62953 -34.33889 313.21166
8110.0000 -35.06725 -34.29760 0.76964 1.61332 -34.43747 283.24382
8115.0000 -34.70813 -34.13153 0.57661 1.64404 -34.25064 336.38596
8120.0000 -34.90947 -34.15221 0.75726 1.67543 -34.05967 376.19509
8125.0000 -35.07967 -34.38043 0.69924 1.62716 -34.35329 317.94339
8130.0000 -35.09514 -34.56943 0.52571 1.61440 -34.43091 290.56024
8135.0000 -34.90434 -34.17856 0.72578 1.60806 -34.46945 282.47938
8140.0000 -34.49005 -33.75858 0.73147 1.70618 -33.87264 352.60053
8145.0000 -34.55495 -33.66645 0.88850 1.71571 -33.81472 422.01142
8150.0000 -34.70717 -34.22588 0.48129 1.69795 -33.92270 416.02099
8155.0000 -34.94841 -34.14938 0.79902 1.64484 -34.24574 341.08318
8160.0000 -35.01826 -34.50344 0.51483 1.62746 -34.35145 325.21407
8165.0000 -34.72980 -34.21151 0.51829 1.65970 -34.15538 358.54708
8170.0000 -34.81468 -34.25528 0.55940 1.65691 -34.17235 350.33712
8175.0000 -34.77308 -34.19012 0.58296 1.64504 -34.24455 325.10595
8180.0000 -35.09181 -34.12985 0.96196 1.66760 -34.10732 386.44488
8185.0000 -34.61558 -33.89928 0.71630 1.68573 -33.99702 391.65133
8190.0000 -34.43723 -33.84604 0.59119 1.68912 -33.97641 400.80175
8195.0000 -34.78613 -34.19151 0.59462 1.66156 -34.14407 344.57595
8200.0000 -34.77076 -33.93512 0.83565 1.68949 -33.97416 396.51453
8205.0000 -34.98087 -34.08881 0.89206 1.65984 -34.15453 373.40299
8210.0000 -34.73936 -33.98754 0.75181 1.66416 -34.12827 348.33166
8215.0000 -34.93451 -34.19620 0.73831 1.66436 -34.12705 367.65534
8220.0000 -35.02856 -34.39794 0.63063 1.64418 -34.24976 335.14821
8225.0000 -35.00052 -34.38611 0.61441 1.63475 -34.30712 321.78827
8230.0000 -35.09021 -34.21058 0.87963 1.63236 -34.32168 317.83050
8235.0000 -34.92214 -34.38200 0.54014 1.64077 -34.27048 332.29269
8240.0000 -34.62330 -33.93912 0.68418 1.64713 -34.23181 313.63411
8245.0000 -34.72416 -34.11143 0.61273 1.64980 -34.21561 340.53566
8250.0000 -34.90516 -34.08046 0.82470 1.67717 -34.04909 374.03805
FREEZING PROCESS: loop number 34 T-loop= 334.00000000000000
main_MD> interactions number 34 at Temperature= 334.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51675 1.50477 0.66256
force_rgl> df(natom) 1.90916 -0.70203 -0.81211
8255.0000 -34.61466 -33.86882 0.74584 1.69046 -33.96828 405.47276
8260.0000 -34.80069 -34.07032 0.73037 1.67555 -34.05897 390.51598
8265.0000 -34.85186 -34.17014 0.68172 1.65678 -34.17311 346.57815
8270.0000 -34.81095 -34.22010 0.59085 1.68367 -34.00958 409.62450
8275.0000 -34.68034 -34.09556 0.58478 1.65130 -34.20648 344.44759
8280.0000 -34.79108 -34.00551 0.78557 1.67497 -34.06251 380.58499
8285.0000 -34.91096 -34.10611 0.80486 1.65433 -34.18805 358.75914
8290.0000 -34.63009 -34.07102 0.55907 1.67368 -34.07033 369.90398
8295.0000 -34.80307 -34.13992 0.66315 1.64674 -34.23422 330.13202
8300.0000 -34.98597 -34.41167 0.57431 1.64208 -34.26254 327.11554
8305.0000 -34.94290 -34.18327 0.75963 1.63358 -34.31422 315.16181
8310.0000 -34.93683 -34.01863 0.91820 1.67221 -34.07926 378.61293
8315.0000 -34.53017 -33.95565 0.57452 1.66931 -34.09690 386.57644
8320.0000 -34.88809 -34.04462 0.84347 1.69565 -33.93671 391.74828
8325.0000 -35.05216 -34.63848 0.41367 1.64067 -34.27109 332.82729
8330.0000 -35.07311 -34.47079 0.60232 1.60135 -34.51028 267.73178
8335.0000 -35.12452 -34.62680 0.49772 1.60099 -34.51245 271.17639
8340.0000 -34.91687 -34.51539 0.40147 1.59403 -34.55481 247.12139
8345.0000 -34.80125 -34.13188 0.66937 1.61884 -34.40388 288.94420
8350.0000 -34.70341 -33.89567 0.80774 1.66856 -34.10150 380.18403
8355.0000 -34.90528 -34.17365 0.73163 1.64739 -34.23026 314.86348
8360.0000 -34.81737 -33.98154 0.83583 1.67296 -34.07469 403.90731
8365.0000 -34.69926 -34.03740 0.66186 1.67209 -34.08003 371.24485
8370.0000 -34.70764 -34.05009 0.65755 1.66715 -34.11006 374.16939
8375.0000 -35.05840 -34.43155 0.62685 1.66638 -34.11474 359.21728
8380.0000 -34.85258 -34.42372 0.42886 1.61249 -34.44249 289.53930
8385.0000 -35.07071 -34.40176 0.66896 1.61089 -34.45226 274.98978
8390.0000 -34.93294 -34.28252 0.65042 1.65719 -34.17065 355.46351
8395.0000 -34.72714 -33.70999 1.01715 1.67478 -34.06365 356.29848
8400.0000 -34.85185 -34.09113 0.76073 1.67012 -34.09199 375.65174
8405.0000 -34.65019 -33.84583 0.80436 1.67639 -34.05384 362.67993
8410.0000 -34.96344 -34.19072 0.77272 1.66848 -34.10197 366.52254
8415.0000 -34.89512 -34.20340 0.69172 1.64873 -34.22209 334.06785
8420.0000 -34.83857 -34.10226 0.73631 1.66439 -34.12685 373.64869
8425.0000 -34.91187 -34.24187 0.67000 1.65350 -34.19307 366.67572
8430.0000 -34.73125 -34.28112 0.45013 1.64860 -34.22287 331.78414
8435.0000 -35.06806 -34.48109 0.58697 1.62918 -34.34100 306.49057
8440.0000 -34.70860 -34.12369 0.58491 1.64775 -34.22808 350.47479
8445.0000 -34.73709 -33.80541 0.93168 1.69341 -33.95035 406.73713
8450.0000 -35.14042 -34.45234 0.68808 1.70423 -33.88450 418.03441
8455.0000 -34.99602 -34.59102 0.40499 1.60294 -34.50057 283.98864
8460.0000 -34.87245 -34.42424 0.44821 1.60067 -34.51441 268.76331
8465.0000 -34.99044 -34.23250 0.75794 1.65404 -34.18980 350.48653
8470.0000 -35.11682 -34.43889 0.67792 1.63289 -34.31844 315.37737
8475.0000 -35.01447 -34.41708 0.59738 1.62043 -34.39422 292.77723
8480.0000 -35.01644 -34.46861 0.54783 1.59768 -34.53261 259.60214
8485.0000 -34.80463 -34.25090 0.55373 1.61541 -34.42475 282.72217
8490.0000 -35.02146 -34.30833 0.71313 1.64946 -34.21764 334.28543
8495.0000 -34.76452 -34.20570 0.55882 1.65293 -34.19655 331.06701
8500.0000 -34.89365 -34.30432 0.58933 1.66619 -34.11592 374.72031
FREEZING PROCESS: loop number 35 T-loop= 309.00000000000000
main_MD> interactions number 35 at Temperature= 309.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12797 1.49803 -0.70053
force_rgl> df(natom) 1.79994 -1.28879 0.49302
8505.0000 -35.11933 -34.76509 0.35423 1.60352 -34.49705 260.54604
8510.0000 -34.81871 -34.27237 0.54634 1.59222 -34.56577 251.51698
8515.0000 -35.05758 -34.61848 0.43910 1.60684 -34.47688 271.95077
8520.0000 -34.85443 -34.26228 0.59215 1.59893 -34.52498 272.79149
8525.0000 -34.87851 -34.15514 0.72337 1.64990 -34.21494 342.30853
8530.0000 -34.70262 -34.21720 0.48542 1.65061 -34.21068 344.73396
8535.0000 -34.74922 -34.26734 0.48188 1.64693 -34.23304 338.72030
8540.0000 -34.96606 -34.39621 0.56985 1.63263 -34.32001 316.82626
8545.0000 -35.09878 -34.60853 0.49025 1.61419 -34.43218 291.15560
8550.0000 -34.96806 -34.36973 0.59833 1.59912 -34.52386 273.35446
8555.0000 -35.01141 -34.60609 0.40533 1.59456 -34.55157 273.97823
8560.0000 -35.09143 -34.55329 0.53814 1.59579 -34.54411 258.89549
8565.0000 -35.03231 -34.54425 0.48806 1.58171 -34.62972 250.58562
8570.0000 -34.87635 -34.24048 0.63587 1.63357 -34.31428 330.01690
8575.0000 -35.00105 -34.35211 0.64894 1.63553 -34.30238 319.81006
8580.0000 -34.90859 -34.16179 0.74679 1.63410 -34.31107 324.34960
8585.0000 -34.98612 -34.52039 0.46573 1.62413 -34.37171 304.40111
8590.0000 -34.92424 -34.42930 0.49493 1.62792 -34.34867 299.87012
8595.0000 -34.99888 -34.17915 0.81974 1.63240 -34.32141 321.32295
8600.0000 -34.98588 -34.58286 0.40302 1.63001 -34.33592 318.12499
8605.0000 -35.07772 -34.28780 0.78992 1.60783 -34.47085 281.27747
8610.0000 -34.76909 -34.06951 0.69957 1.67182 -34.08165 381.26509
8615.0000 -34.91821 -34.08832 0.82989 1.68654 -33.99213 406.02426
8620.0000 -35.07159 -34.49508 0.57651 1.63199 -34.32392 323.19410
8625.0000 -34.75106 -34.22233 0.52873 1.63108 -34.32943 316.59264
8630.0000 -35.15953 -34.42422 0.73531 1.61422 -34.43196 279.17100
8635.0000 -35.16321 -34.73985 0.42337 1.58112 -34.63328 241.95882
8640.0000 -34.92235 -34.37588 0.54647 1.59927 -34.52293 272.09040
8645.0000 -34.99046 -34.09397 0.89650 1.64442 -34.24833 316.16972
8650.0000 -34.78808 -34.26809 0.51998 1.67164 -34.08276 381.93686
8655.0000 -35.03584 -34.35742 0.67842 1.65161 -34.20455 348.27710
8660.0000 -35.05888 -34.58826 0.47062 1.60001 -34.51840 274.04449
8665.0000 -35.13244 -34.47081 0.66163 1.60564 -34.48417 283.51694
8670.0000 -34.76298 -34.31117 0.45181 1.60987 -34.45842 283.67363
8675.0000 -34.86666 -34.18523 0.68143 1.66063 -34.14971 346.85684
8680.0000 -35.02087 -34.45706 0.56381 1.61734 -34.41298 295.54234
8685.0000 -35.16116 -34.38620 0.77496 1.62489 -34.36712 313.95002
8690.0000 -35.15874 -34.35682 0.80191 1.62297 -34.37875 307.48092
8695.0000 -34.89319 -34.22671 0.66648 1.62319 -34.37741 307.04925
8700.0000 -34.91715 -34.23607 0.68107 1.64542 -34.24222 337.47063
8705.0000 -34.77900 -34.20277 0.57623 1.66146 -34.14469 355.72238
8710.0000 -34.98077 -34.23055 0.75022 1.64907 -34.22001 338.56755
8715.0000 -35.04447 -34.32777 0.71670 1.63239 -34.32147 323.81855
8720.0000 -34.84013 -34.32645 0.51368 1.62846 -34.34538 309.84279
8725.0000 -34.95231 -34.44640 0.50591 1.62958 -34.33854 318.66599
8730.0000 -34.96347 -34.23632 0.72714 1.64755 -34.22930 353.33790
8735.0000 -35.00592 -34.37483 0.63109 1.63437 -34.30945 314.70389
8740.0000 -34.89270 -34.32058 0.57212 1.61820 -34.40779 275.96790
8745.0000 -34.91208 -34.44692 0.46516 1.61775 -34.41049 290.77931
8750.0000 -34.89254 -34.44367 0.44887 1.60244 -34.50362 274.86135
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 7.9598218 [s].
main_MD> Deallocating global variables
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