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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_58/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_58.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 = 58 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: 58 5800
main_MD> Size of nv and nvoiz: 58 5800
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 = 58
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.17117510034349545 5.4789589811894676E-002 -9.4340592309845456E-002 initial drift of cluster / NP1 for coalescence
init> 0.31838523262087193 0.33132993437217251 0.26995100726401922 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7021459894465971E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38223 -0.65356 0.33659
force_rgl> df(natom) 0.06610 1.24006 0.21465
preparo> THERMALIZATION PROCESS AT 1191.3611965605435
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -124.50404015215200 9.7712052846020896 -134.27524543675409 6.6436852606183172E-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= 1164.0000000000000
main_MD> interactions number 1 at Temperature= 1164.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43757 0.71331 0.23745
force_rgl> df(natom) 1.01390 -1.51632 -4.21356
5.0000 -135.98577 -129.03296 6.95281 2.91270 -127.45707 1114.66879
10.0000 -135.44768 -125.96961 9.47807 2.84017 -128.54381 1059.60914
15.0000 -136.12227 -128.58587 7.53640 2.98263 -126.40924 1172.64805
20.0000 -137.50397 -126.17317 11.33080 2.91457 -127.42899 1147.09447
25.0000 -133.24867 -124.44564 8.80303 3.06180 -125.22302 1248.75433
30.0000 -135.40703 -126.08550 9.32154 3.10386 -124.59275 1255.64025
35.0000 -136.97705 -128.03996 8.93709 2.97775 -126.48235 1217.55433
40.0000 -137.04490 -128.29881 8.74609 2.84659 -128.44755 1083.99830
45.0000 -137.44269 -128.82742 8.61527 2.82986 -128.69825 1084.00248
50.0000 -134.57982 -125.21972 9.36010 2.88858 -127.81849 1089.16917
55.0000 -134.24784 -124.11999 10.12785 3.15084 -123.88874 1316.39404
60.0000 -135.15617 -125.98280 9.17337 3.07803 -124.97976 1274.26726
65.0000 -135.39755 -126.28884 9.10871 3.00686 -126.04616 1230.56998
70.0000 -134.19772 -126.57272 7.62500 3.02245 -125.81252 1240.92854
75.0000 -135.84131 -126.76707 9.07425 3.02463 -125.77983 1232.75460
80.0000 -136.02052 -127.03378 8.98674 2.88827 -127.82303 1110.64674
85.0000 -135.63372 -127.03374 8.59998 2.94386 -126.99012 1159.48998
90.0000 -135.27129 -127.55263 7.71866 2.90877 -127.51585 1141.33643
95.0000 -135.98884 -128.22603 7.76281 2.92230 -127.31323 1139.31930
100.0000 -135.03660 -124.92338 10.11323 2.89473 -127.72634 1144.93273
105.0000 -132.57407 -124.04888 8.52519 3.06272 -125.20916 1219.72954
110.0000 -135.87058 -126.23362 9.63696 3.13611 -124.10956 1274.59057
115.0000 -137.24683 -126.92111 10.32572 2.92306 -127.30182 1166.18191
120.0000 -133.19382 -122.85214 10.34168 3.12571 -124.26529 1286.60094
125.0000 -133.54681 -123.52768 10.01913 3.16997 -123.60217 1268.73504
130.0000 -133.34790 -122.50879 10.83911 3.17697 -123.49725 1301.08398
135.0000 -135.15782 -124.69037 10.46745 3.20596 -123.06290 1387.52678
140.0000 -134.37894 -125.20338 9.17556 3.03148 -125.67727 1240.18268
145.0000 -134.23164 -125.82957 8.40207 3.01207 -125.96816 1211.23049
150.0000 -135.64342 -127.15642 8.48699 2.97453 -126.53059 1184.41491
155.0000 -134.43539 -126.45154 7.98385 2.95232 -126.86329 1102.84346
160.0000 -133.69755 -125.19110 8.50645 3.06005 -125.24916 1242.73391
165.0000 -135.64867 -125.91574 9.73293 3.07180 -125.07316 1222.60787
170.0000 -133.85384 -123.17419 10.67965 3.07712 -124.99339 1266.56488
175.0000 -135.47418 -126.28914 9.18504 3.03339 -125.64870 1183.97251
180.0000 -136.04053 -127.74547 8.29506 2.94794 -126.92901 1145.88171
185.0000 -133.44315 -125.04960 8.39355 2.96339 -126.69753 1177.85439
190.0000 -133.62618 -124.86108 8.76510 3.12308 -124.30482 1302.78498
195.0000 -134.36130 -126.09726 8.26404 3.08898 -124.81572 1218.89434
200.0000 -134.05008 -124.73153 9.31855 3.04784 -125.43208 1158.22910
205.0000 -133.11906 -123.61056 9.50851 3.12822 -124.22768 1290.64651
210.0000 -133.94427 -125.81056 8.13371 3.06323 -125.20146 1226.68451
215.0000 -135.82302 -126.89486 8.92816 2.97687 -126.49558 1177.24054
220.0000 -133.65869 -124.95947 8.69922 2.97733 -126.48867 1179.93399
225.0000 -133.86187 -125.56626 8.29561 3.00721 -126.04089 1192.45505
230.0000 -135.49266 -126.01923 9.47343 3.03911 -125.56296 1235.29912
235.0000 -134.23318 -125.60175 8.63143 3.01128 -125.97999 1186.82360
240.0000 -134.85997 -126.88290 7.97708 3.06079 -125.23814 1214.82001
245.0000 -135.25973 -126.75867 8.50105 2.93386 -127.13992 1138.77564
250.0000 -137.25456 -128.08166 9.17289 2.86967 -128.10172 1143.61746
FREEZING PROCESS: loop number 2 T-loop= 1139.0000000000000
main_MD> interactions number 2 at Temperature= 1139.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.17954 7.58930 -2.09659
force_rgl> df(natom) 1.63628 -2.59316 -2.27906
255.0000 -136.70738 -128.17516 8.53223 2.83656 -128.59790 1097.49702
260.0000 -135.58823 -127.36993 8.21830 2.91212 -127.46576 1129.49328
265.0000 -135.04788 -125.79425 9.25363 2.94272 -127.00718 1132.63875
270.0000 -136.83342 -128.38870 8.44472 2.88827 -127.82306 1145.47985
275.0000 -136.75577 -125.27510 11.48067 2.91619 -127.40466 1139.75718
280.0000 -136.43219 -127.03001 9.40217 2.98397 -126.38908 1185.35429
285.0000 -136.18504 -128.13576 8.04928 2.85658 -128.29788 1092.30456
290.0000 -136.82056 -130.35736 6.46320 2.77299 -129.55034 1032.74368
295.0000 -138.67965 -131.36246 7.31719 2.70879 -130.51237 976.30659
300.0000 -138.15099 -130.32023 7.83075 2.70171 -130.61845 1003.23122
305.0000 -134.38199 -125.97035 8.41163 2.82200 -128.81598 1108.00613
310.0000 -136.74701 -127.29031 9.45670 3.00691 -126.04546 1170.09419
315.0000 -136.31248 -126.77659 9.53589 2.93879 -127.06606 1143.57880
320.0000 -138.06245 -128.78209 9.28035 2.93439 -127.13195 1155.20225
325.0000 -136.46774 -127.54247 8.92527 2.81645 -128.89927 1059.78702
330.0000 -136.04713 -126.90166 9.14547 2.91293 -127.45354 1155.22683
335.0000 -135.73138 -126.64926 9.08212 2.93950 -127.05540 1141.37359
340.0000 -134.46793 -125.23885 9.22908 2.95386 -126.84024 1197.26452
345.0000 -136.74651 -127.62754 9.11898 2.99806 -126.17804 1193.35853
350.0000 -136.48825 -128.75159 7.73667 2.81817 -128.87337 1100.69184
355.0000 -134.45841 -125.43146 9.02695 2.90075 -127.63611 1145.75208
360.0000 -136.67721 -127.28121 9.39600 2.90133 -127.62739 1145.19112
365.0000 -136.14763 -127.54930 8.59833 2.87781 -127.97986 1103.30845
370.0000 -137.10736 -129.54464 7.56272 2.84467 -128.47632 1106.64796
375.0000 -137.79130 -129.40710 8.38420 2.79485 -129.22286 1060.04704
380.0000 -135.74837 -127.96835 7.78002 2.79929 -129.15635 1039.01782
385.0000 -136.21375 -126.88419 9.32956 2.92049 -127.34031 1149.47478
390.0000 -135.89388 -126.59201 9.30187 2.98746 -126.33683 1183.19665
395.0000 -137.60333 -128.94000 8.66333 2.86789 -128.12846 1121.62850
400.0000 -136.81894 -128.75270 8.06624 2.85204 -128.36594 1059.34558
405.0000 -134.79939 -126.48689 8.31250 2.89581 -127.71012 1116.98881
410.0000 -134.28102 -126.21383 8.06719 3.02955 -125.70614 1216.62584
415.0000 -135.72869 -126.81436 8.91432 2.96947 -126.60635 1157.08493
420.0000 -135.61239 -125.09148 10.52091 2.99693 -126.19499 1192.68348
425.0000 -134.29943 -125.22314 9.07630 3.13375 -124.14494 1261.72258
430.0000 -133.59103 -127.16673 6.42430 3.01914 -125.86215 1196.87509
435.0000 -134.46982 -126.78704 7.68278 2.91057 -127.48896 1117.33100
440.0000 -134.07309 -126.26177 7.81133 2.96630 -126.65382 1131.21410
445.0000 -135.64574 -125.97528 9.67046 3.00798 -126.02937 1207.09302
450.0000 -134.66685 -125.59735 9.06950 2.96169 -126.72298 1132.71892
455.0000 -134.44972 -126.46218 7.98754 3.02997 -125.69991 1199.16072
460.0000 -135.90462 -128.43362 7.47101 2.86906 -128.11087 1082.43461
465.0000 -135.70304 -126.48778 9.21526 2.91787 -127.37958 1105.31246
470.0000 -134.31780 -124.52353 9.79427 2.99548 -126.21669 1186.89857
475.0000 -133.87967 -125.65170 8.22797 3.12430 -124.28653 1313.32826
480.0000 -135.04894 -126.06992 8.97902 3.03490 -125.62599 1240.22567
485.0000 -136.32941 -128.38213 7.94728 2.94945 -126.90642 1115.04255
490.0000 -135.59871 -129.01212 6.58659 2.83406 -128.63538 1072.95510
495.0000 -137.61776 -129.13464 8.48312 2.80716 -129.03843 1078.09734
500.0000 -137.76709 -129.72168 8.04541 2.79144 -129.27395 1047.59651
FREEZING PROCESS: loop number 3 T-loop= 1114.0000000000000
main_MD> interactions number 3 at Temperature= 1114.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50618 -1.60707 1.97352
force_rgl> df(natom) 1.26234 2.53402 -0.53941
505.0000 -137.76857 -127.69092 10.07765 2.80644 -129.04921 1066.83886
510.0000 -136.23774 -128.04995 8.18778 2.93423 -127.13438 1164.47286
515.0000 -135.84090 -126.90626 8.93464 2.88467 -127.87708 1120.69811
520.0000 -135.05807 -126.09052 8.96756 2.98255 -126.41045 1177.79415
525.0000 -134.95101 -126.12032 8.83069 3.06197 -125.22042 1226.41668
530.0000 -134.18262 -126.23580 7.94682 3.03802 -125.57922 1200.38126
535.0000 -137.74576 -128.06879 9.67696 2.90159 -127.62345 1131.15360
540.0000 -137.23223 -128.43602 8.79621 2.81840 -128.87002 1098.84765
545.0000 -137.45388 -127.76352 9.69036 2.85047 -128.38945 1112.29927
550.0000 -136.98323 -129.35966 7.62357 2.79491 -129.22195 1048.89446
555.0000 -136.46264 -126.24822 10.21442 2.84558 -128.46271 1091.18380
560.0000 -137.37785 -128.27489 9.10297 2.94510 -126.97156 1138.66442
565.0000 -137.03596 -127.69573 9.34023 2.91456 -127.42912 1166.50268
570.0000 -136.52803 -128.37515 8.15288 2.87545 -128.01510 1131.96126
575.0000 -135.99566 -128.24030 7.75536 2.81203 -128.96541 1058.44846
580.0000 -137.06396 -128.07126 8.99270 2.82337 -128.79551 1055.71468
585.0000 -136.56056 -127.84259 8.71797 2.89589 -127.70884 1162.72960
590.0000 -136.11379 -127.50160 8.61219 2.91789 -127.37925 1127.75705
595.0000 -136.54490 -129.53505 7.00985 2.79465 -129.22591 1024.96897
600.0000 -135.33799 -127.79725 7.54074 2.82281 -128.80395 1098.97936
605.0000 -135.72533 -127.93452 7.79081 2.88864 -127.81755 1110.83721
610.0000 -136.70780 -128.09442 8.61338 2.84020 -128.54331 1083.62468
615.0000 -137.59657 -129.22612 8.37045 2.84192 -128.51752 1098.22439
620.0000 -137.90004 -130.02127 7.87877 2.81868 -128.86574 1076.15038
625.0000 -137.66085 -129.91378 7.74708 2.71818 -130.37168 979.97605
630.0000 -136.41457 -127.06823 9.34634 2.85883 -128.26420 1093.41280
635.0000 -138.12544 -131.43903 6.68641 2.78366 -129.39044 1055.02693
640.0000 -136.75635 -128.58880 8.16755 2.79010 -129.29399 1051.71925
645.0000 -134.76453 -126.18227 8.58226 2.88932 -127.80733 1093.04752
650.0000 -133.74941 -124.45013 9.29928 3.05798 -125.28013 1251.04577
655.0000 -135.16711 -126.02211 9.14500 3.00256 -126.11059 1205.50372
660.0000 -135.98254 -128.28376 7.69878 2.95386 -126.84025 1153.63874
665.0000 -136.66872 -129.10703 7.56169 2.80463 -129.07634 1073.40610
670.0000 -135.82912 -128.37217 7.45695 2.83121 -128.67798 1081.78279
675.0000 -137.40479 -128.39259 9.01220 2.87694 -127.99285 1046.54293
680.0000 -138.10283 -129.17580 8.92703 2.83865 -128.56649 1107.89982
685.0000 -136.95354 -128.36542 8.58812 2.79871 -129.16496 1053.76713
690.0000 -137.76549 -128.40761 9.35789 2.86032 -128.24194 1101.66377
695.0000 -137.47358 -128.49273 8.98085 2.78242 -129.40915 1043.59306
700.0000 -135.36553 -127.40136 7.96417 2.92683 -127.24535 1140.70806
705.0000 -135.10474 -128.47795 6.62679 2.88517 -127.86948 1083.93223
710.0000 -136.21982 -127.56495 8.65487 2.89993 -127.64841 1084.28277
715.0000 -136.76117 -128.67236 8.08881 2.88420 -127.88407 1095.97320
720.0000 -134.96143 -127.51439 7.44704 2.83041 -128.69002 1097.88113
725.0000 -136.32833 -127.37407 8.95426 2.90270 -127.60680 1118.55988
730.0000 -136.32680 -128.85110 7.47569 2.89881 -127.66519 1106.15243
735.0000 -134.86161 -125.55655 9.30507 2.86479 -128.17481 1051.52876
740.0000 -136.31927 -127.97386 8.34541 2.90514 -127.57022 1124.37794
745.0000 -136.41031 -129.31404 7.09627 2.85440 -128.33057 1100.16605
750.0000 -134.43742 -126.80538 7.63203 2.91339 -127.44667 1136.11537
FREEZING PROCESS: loop number 4 T-loop= 1089.0000000000000
main_MD> interactions number 4 at Temperature= 1089.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.23133 -1.45469 -1.02440
force_rgl> df(natom) 0.73028 0.99391 0.43355
755.0000 -136.76070 -128.54765 8.21304 2.87390 -128.03839 1104.98946
760.0000 -137.66893 -129.97593 7.69300 2.77258 -129.55651 1049.06417
765.0000 -137.01888 -127.84533 9.17355 2.81102 -128.98060 1036.49209
770.0000 -134.63364 -127.40179 7.23185 2.88181 -127.91986 1077.94084
775.0000 -136.29568 -128.29480 8.00088 2.97115 -126.58122 1140.75747
780.0000 -135.26472 -127.33724 7.92748 2.83681 -128.59407 1063.51833
785.0000 -135.16686 -126.81686 8.35000 2.88098 -127.93234 1067.52623
790.0000 -137.27493 -129.01328 8.26165 2.88861 -127.81792 1121.02249
795.0000 -136.65188 -128.61230 8.03958 2.82213 -128.81408 1089.37350
800.0000 -136.81489 -128.75835 8.05654 2.86049 -128.23931 1055.45729
805.0000 -136.00946 -128.22215 7.78731 2.81265 -128.95618 1059.51383
810.0000 -138.12389 -128.70673 9.41716 2.87074 -128.08573 1108.46856
815.0000 -135.74264 -127.32852 8.41411 2.90633 -127.55250 1177.77976
820.0000 -137.10044 -129.06050 8.03994 2.85284 -128.35392 1104.89378
825.0000 -136.64520 -128.32963 8.31556 2.81718 -128.88822 1062.83936
830.0000 -136.66633 -128.89817 7.76816 2.76285 -129.70226 1038.23451
835.0000 -137.04223 -129.50771 7.53452 2.82925 -128.70740 1090.20052
840.0000 -137.78644 -128.67084 9.11561 2.84645 -128.44968 1118.86113
845.0000 -136.69194 -129.43731 7.25463 2.81602 -128.90561 1098.86621
850.0000 -137.62789 -128.24160 9.38629 2.87808 -127.97571 1096.47303
855.0000 -135.88042 -126.68200 9.19843 2.89413 -127.73529 1108.21190
860.0000 -135.85347 -128.24864 7.60483 2.91659 -127.39869 1143.27554
865.0000 -136.47293 -127.63870 8.83424 2.89250 -127.75966 1116.33697
870.0000 -137.43861 -129.01135 8.42726 2.82361 -128.79198 1054.82923
875.0000 -135.46637 -128.25768 7.20870 2.93308 -127.15171 1158.86189
880.0000 -135.61612 -126.93720 8.67891 2.90840 -127.52149 1115.02520
885.0000 -137.16724 -128.66043 8.50681 2.86042 -128.24031 1125.92978
890.0000 -136.79508 -128.76430 8.03078 2.84634 -128.45131 1124.76686
895.0000 -135.46718 -127.61637 7.85081 2.83036 -128.69078 1039.84093
900.0000 -134.82796 -127.56442 7.26354 2.90059 -127.63841 1090.97506
905.0000 -134.46606 -126.99396 7.47211 2.93783 -127.08055 1135.86821
910.0000 -137.04736 -128.56829 8.47906 2.80206 -129.11487 1054.47503
915.0000 -137.06532 -128.98943 8.07590 2.92647 -127.25066 1155.36710
920.0000 -137.07000 -128.24950 8.82050 2.88988 -127.79897 1153.52297
925.0000 -136.62184 -128.43486 8.18698 2.84146 -128.52444 1076.47703
930.0000 -135.70663 -128.23564 7.47099 2.86310 -128.20021 1084.73829
935.0000 -135.51206 -128.29461 7.21744 2.85417 -128.33403 1099.24540
940.0000 -136.93814 -128.16330 8.77484 2.85826 -128.27270 1112.55814
945.0000 -137.20834 -128.28303 8.92531 2.83951 -128.55363 1046.35582
950.0000 -134.81957 -128.10647 6.71310 2.89148 -127.77490 1132.05044
955.0000 -135.69052 -129.28271 6.40781 2.84940 -128.40556 1095.58976
960.0000 -137.70428 -127.38250 10.32178 2.83247 -128.65921 1080.69996
965.0000 -137.02512 -128.24555 8.77957 2.90296 -127.60303 1129.20722
970.0000 -136.80502 -130.39286 6.41216 2.79495 -129.22138 1056.49426
975.0000 -136.55447 -128.83763 7.71684 2.78584 -129.35779 1021.19055
980.0000 -137.30507 -129.51932 7.78575 2.78096 -129.43093 1085.13780
985.0000 -136.17725 -128.21086 7.96640 2.83707 -128.59020 1094.90019
990.0000 -136.97214 -128.58885 8.38329 2.86512 -128.16995 1089.74171
995.0000 -136.66724 -128.21615 8.45109 2.85911 -128.26005 1109.58423
1000.0000 -135.70381 -128.29361 7.41020 2.79155 -129.27222 1078.06414
FREEZING PROCESS: loop number 5 T-loop= 1064.0000000000000
main_MD> interactions number 5 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.92628 -2.58536 3.67414
force_rgl> df(natom) 1.58018 -0.43758 -3.54707
1005.0000 -136.56337 -128.22487 8.33849 2.85890 -128.26318 1076.36270
1010.0000 -137.21322 -129.77174 7.44148 2.84968 -128.40124 1073.19678
1015.0000 -135.90271 -128.40344 7.49927 2.76456 -129.67671 1011.08084
1020.0000 -137.39440 -128.98888 8.40552 2.82789 -128.72782 1092.87469
1025.0000 -136.45609 -128.57365 7.88244 2.84938 -128.40577 1089.85867
1030.0000 -133.24284 -126.00915 7.23369 2.94153 -127.02506 1155.92158
1035.0000 -135.30744 -127.32093 7.98651 2.98067 -126.43851 1178.91412
1040.0000 -136.24622 -127.23431 9.01192 2.91807 -127.37652 1107.38035
1045.0000 -136.74849 -129.05577 7.69272 2.85452 -128.32876 1098.43761
1050.0000 -138.96310 -130.68315 8.27995 2.79884 -129.16301 1038.40505
1055.0000 -137.24560 -129.48337 7.76223 2.75757 -129.78148 1027.41959
1060.0000 -137.51432 -130.21922 7.29510 2.77858 -129.46660 1023.07583
1065.0000 -137.38692 -128.48727 8.89965 2.74653 -129.94691 1048.16146
1070.0000 -136.58714 -127.53182 9.05532 2.86107 -128.23066 1078.93401
1075.0000 -136.57041 -127.78649 8.78392 2.91365 -127.44281 1126.43360
1080.0000 -136.36090 -127.55265 8.80825 2.91602 -127.40722 1137.63773
1085.0000 -134.77410 -125.95351 8.82059 2.92502 -127.27237 1108.30011
1090.0000 -136.03911 -127.21234 8.82677 2.95527 -126.81910 1174.45618
1095.0000 -136.36825 -127.71432 8.65394 2.88925 -127.80838 1106.86191
1100.0000 -138.54698 -128.15437 10.39260 2.93540 -127.11695 1156.08721
1105.0000 -135.90846 -128.48478 7.42369 2.86067 -128.23664 1104.04265
1110.0000 -137.03820 -129.42351 7.61469 2.78666 -129.34549 1067.89584
1115.0000 -136.16973 -128.08247 8.08725 2.83328 -128.64703 1058.82292
1120.0000 -135.34072 -127.04030 8.30042 2.95212 -126.86631 1136.13900
1125.0000 -136.42082 -129.80424 6.61659 2.84803 -128.42605 1066.15719
1130.0000 -137.50365 -130.50185 7.00180 2.77401 -129.53504 1045.90809
1135.0000 -135.35118 -128.36563 6.98555 2.76623 -129.65168 1034.09050
1140.0000 -137.76417 -128.61302 9.15115 2.89705 -127.69147 1095.64616
1145.0000 -134.55734 -127.16419 7.39315 2.83527 -128.61721 1099.31082
1150.0000 -135.18114 -126.68151 8.49964 2.96417 -126.68576 1142.32776
1155.0000 -134.14325 -126.31193 7.83132 2.99995 -126.14975 1196.16237
1160.0000 -136.23513 -129.22595 7.00918 2.86128 -128.22747 1062.40659
1165.0000 -137.39186 -128.96738 8.42448 2.76605 -129.65437 1003.54768
1170.0000 -136.09207 -129.00174 7.09034 2.80448 -129.07849 1088.26898
1175.0000 -137.11986 -130.17691 6.94295 2.71856 -130.36600 985.53666
1180.0000 -136.97625 -129.20054 7.77572 2.82438 -128.78033 1056.55136
1185.0000 -135.81663 -128.13196 7.68468 2.78808 -129.32431 1080.27678
1190.0000 -136.79740 -128.01784 8.77956 2.87276 -128.05545 1095.22957
1195.0000 -138.81534 -131.48364 7.33170 2.76308 -129.69891 1038.11099
1200.0000 -138.37625 -131.42942 6.94683 2.64200 -131.51312 954.07555
1205.0000 -139.52166 -130.46955 9.05211 2.73516 -130.11724 1000.60199
1210.0000 -137.74785 -130.39885 7.34900 2.70094 -130.62999 987.52264
1215.0000 -137.59646 -128.35144 9.24502 2.85190 -128.36797 1115.74874
1220.0000 -137.28223 -128.72074 8.56148 2.85930 -128.25721 1112.56121
1225.0000 -135.73250 -127.82807 7.90443 2.84909 -128.41011 1087.47190
1230.0000 -136.82575 -128.83856 7.98719 2.77685 -129.49250 1047.89638
1235.0000 -137.87153 -129.40608 8.46545 2.78052 -129.43762 1037.71544
1240.0000 -137.50366 -128.30655 9.19711 2.84090 -128.53277 1077.08089
1245.0000 -137.07739 -128.77764 8.29975 2.79299 -129.25077 1059.44359
1250.0000 -136.41041 -128.51130 7.89911 2.81315 -128.94860 1101.52729
FREEZING PROCESS: loop number 6 T-loop= 1039.0000000000000
main_MD> interactions number 6 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57921 2.27995 -4.09857
force_rgl> df(natom) 0.92389 4.01913 -0.19469
1255.0000 -135.51194 -128.73212 6.77982 2.85343 -128.34514 1079.40806
1260.0000 -136.05190 -128.30590 7.74600 2.81869 -128.86560 1073.86660
1265.0000 -136.31854 -130.21585 6.10270 2.78751 -129.33289 1057.00672
1270.0000 -137.55152 -129.30198 8.24954 2.72453 -130.27644 964.44890
1275.0000 -136.94560 -129.65853 7.28706 2.78502 -129.37015 1029.95213
1280.0000 -136.62395 -128.64039 7.98356 2.79040 -129.28945 1059.21488
1285.0000 -135.61314 -126.60431 9.00883 2.86419 -128.18381 1095.48782
1290.0000 -135.75588 -127.79975 7.95613 2.95093 -126.88420 1153.64833
1295.0000 -136.64351 -128.27666 8.36685 2.90026 -127.64348 1139.31352
1300.0000 -136.34165 -129.41007 6.93158 2.78473 -129.37449 1039.66152
1305.0000 -136.20004 -128.47337 7.72667 2.86177 -128.22011 1114.22903
1310.0000 -138.22062 -130.11905 8.10157 2.81129 -128.97647 1043.35381
1315.0000 -138.01854 -130.16320 7.85534 2.69791 -130.67538 963.64258
1320.0000 -136.85380 -128.30240 8.55139 2.84156 -128.52288 1082.10536
1325.0000 -137.56931 -129.86862 7.70069 2.76523 -129.66671 1053.28244
1330.0000 -139.27046 -132.13013 7.14032 2.69601 -130.70379 960.06556
1335.0000 -139.51994 -131.97212 7.54782 2.57182 -132.56460 868.27341
1340.0000 -137.97368 -129.62517 8.34851 2.68244 -130.90710 994.49443
1345.0000 -136.22601 -128.88387 7.34213 2.78291 -129.40174 1049.24483
1350.0000 -135.95857 -127.96334 7.99522 2.86718 -128.13913 1081.49789
1355.0000 -137.79144 -130.00856 7.78287 2.77794 -129.47620 1028.41336
1360.0000 -139.43188 -131.07606 8.35582 2.72626 -130.25052 1008.70986
1365.0000 -135.19900 -127.24058 7.95842 2.83768 -128.58110 1099.35272
1370.0000 -136.07196 -128.73568 7.33627 2.86749 -128.13439 1094.93551
1375.0000 -136.93548 -128.97780 7.95768 2.78994 -129.29646 1016.14263
1380.0000 -139.17833 -130.38640 8.79193 2.79451 -129.22797 1069.99562
1385.0000 -136.06205 -128.57927 7.48278 2.81631 -128.90133 1081.01981
1390.0000 -138.43514 -130.69031 7.74484 2.78600 -129.35542 1039.80493
1395.0000 -137.20329 -129.77324 7.43005 2.72832 -130.21965 1010.07011
1400.0000 -136.75596 -130.11715 6.63881 2.69592 -130.70523 989.81422
1405.0000 -137.58245 -127.66926 9.91319 2.81083 -128.98338 1070.00949
1410.0000 -138.58643 -129.46784 9.11859 2.78486 -129.37247 1049.78190
1415.0000 -136.67233 -129.03631 7.63603 2.82016 -128.84356 1093.77872
1420.0000 -137.38911 -129.62257 7.76654 2.78353 -129.39249 1002.67859
1425.0000 -137.53896 -129.83745 7.70151 2.75839 -129.76914 1043.26899
1430.0000 -138.69075 -131.79028 6.90047 2.70457 -130.57551 986.53495
1435.0000 -137.31477 -129.49037 7.82440 2.71611 -130.40270 1003.73685
1440.0000 -137.03447 -128.91109 8.12338 2.78596 -129.35606 1024.24243
1445.0000 -135.72254 -127.67122 8.05131 2.87054 -128.08878 1101.15889
1450.0000 -136.23753 -127.02875 9.20878 2.91772 -127.38185 1135.15732
1455.0000 -135.00313 -127.29150 7.71164 2.90393 -127.58839 1133.66791
1460.0000 -135.68353 -128.07516 7.60837 2.87312 -128.05012 1115.54064
1465.0000 -136.19077 -127.80590 8.38488 2.84229 -128.51200 1114.71436
1470.0000 -136.38387 -128.33129 8.05259 2.89252 -127.75942 1113.87051
1475.0000 -137.22889 -129.65003 7.57886 2.82022 -128.84270 1079.31524
1480.0000 -139.09740 -132.08323 7.01417 2.68185 -130.91595 958.11125
1485.0000 -139.68407 -133.11143 6.57264 2.58703 -132.33669 908.17944
1490.0000 -138.38946 -132.28665 6.10281 2.54759 -132.92778 899.71163
1495.0000 -138.18621 -131.00343 7.18278 2.67405 -131.03283 1010.00064
1500.0000 -138.15702 -130.95216 7.20486 2.65794 -131.27428 958.39956
FREEZING PROCESS: loop number 7 T-loop= 1014.0000000000000
main_MD> interactions number 7 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37536 -0.11610 3.00803
force_rgl> df(natom) -0.26187 -2.50099 2.71375
1505.0000 -139.49139 -131.68993 7.80146 2.65710 -131.28677 949.92391
1510.0000 -138.89087 -131.27654 7.61433 2.64236 -131.50767 923.31702
1515.0000 -137.43642 -129.99428 7.44214 2.70760 -130.53023 991.41662
1520.0000 -137.22132 -129.98273 7.23858 2.73909 -130.05828 991.63408
1525.0000 -138.80853 -130.80313 8.00539 2.70421 -130.58101 970.76798
1530.0000 -138.12915 -131.19369 6.93546 2.65858 -131.26467 945.01317
1535.0000 -139.19221 -130.25692 8.93529 2.68527 -130.86475 965.27075
1540.0000 -137.79335 -130.56217 7.23118 2.70717 -130.53664 963.01182
1545.0000 -136.99698 -130.54665 6.45033 2.69744 -130.68246 971.26225
1550.0000 -137.03183 -129.58020 7.45163 2.73426 -130.13067 1021.31678
1555.0000 -136.93855 -129.35662 7.58194 2.78790 -129.32692 1067.75657
1560.0000 -137.51375 -130.21114 7.30261 2.71445 -130.42759 983.19040
1565.0000 -137.34537 -129.84594 7.49943 2.74038 -130.03905 1040.33380
1570.0000 -137.04182 -130.29299 6.74883 2.79850 -129.16817 1080.75142
1575.0000 -137.19859 -128.47889 8.71970 2.73598 -130.10493 1011.62023
1580.0000 -135.92285 -128.17002 7.75283 2.89259 -127.75838 1126.73850
1585.0000 -137.78871 -130.17787 7.61083 2.80013 -129.14374 1042.24124
1590.0000 -137.14148 -130.88745 6.25404 2.76035 -129.73971 1046.01523
1595.0000 -139.89864 -131.10764 8.79100 2.66479 -131.17163 960.50635
1600.0000 -136.91597 -130.07460 6.84137 2.68426 -130.87994 976.16471
1605.0000 -138.19030 -131.52790 6.66239 2.64866 -131.41328 916.67314
1610.0000 -139.15907 -131.23808 7.92099 2.65235 -131.35803 937.61860
1615.0000 -137.66628 -130.92979 6.73648 2.66186 -131.21552 959.08680
1620.0000 -137.44459 -130.79485 6.64973 2.70612 -130.55229 951.49099
1625.0000 -138.48984 -130.71927 7.77057 2.70267 -130.60402 969.48924
1630.0000 -138.92159 -131.11716 7.80444 2.72660 -130.24555 996.90862
1635.0000 -138.20775 -131.35190 6.85585 2.65586 -131.30544 967.03065
1640.0000 -136.72385 -130.13136 6.59249 2.76431 -129.68049 1036.06172
1645.0000 -138.00269 -130.08321 7.91948 2.73269 -130.15427 1002.58490
1650.0000 -137.76091 -129.78992 7.97099 2.77094 -129.58114 1011.29489
1655.0000 -137.25229 -129.05279 8.19950 2.72827 -130.22040 1012.70234
1660.0000 -139.55132 -132.29703 7.25429 2.65401 -131.33317 955.38798
1665.0000 -139.55404 -132.57827 6.97577 2.59108 -132.27609 923.76060
1670.0000 -138.04515 -131.04711 6.99803 2.62685 -131.74017 967.05115
1675.0000 -137.64038 -131.41924 6.22114 2.76785 -129.62739 1025.44415
1680.0000 -137.70322 -130.14535 7.55787 2.69615 -130.70170 974.59130
1685.0000 -137.39802 -128.62111 8.77691 2.77773 -129.47938 992.26148
1690.0000 -137.49474 -129.77522 7.71952 2.87099 -128.08192 1048.75050
1695.0000 -137.95010 -131.44101 6.50909 2.70226 -130.61025 993.60596
1700.0000 -137.49808 -129.00778 8.49030 2.71417 -130.43176 995.80523
1705.0000 -137.53464 -130.89923 6.63541 2.73377 -130.13806 1020.75752
1710.0000 -138.84405 -131.75885 7.08520 2.64400 -131.48311 958.59659
1715.0000 -139.14540 -131.98527 7.16013 2.70572 -130.55840 1034.17085
1720.0000 -137.71479 -128.90412 8.81067 2.72396 -130.28497 989.12931
1725.0000 -138.15052 -130.67031 7.48022 2.76347 -129.69298 1003.50709
1730.0000 -137.77539 -130.13805 7.63734 2.68760 -130.82978 948.36358
1735.0000 -138.02193 -130.71246 7.30947 2.67901 -130.95861 953.88824
1740.0000 -138.49728 -130.80900 7.68828 2.69569 -130.70861 972.91268
1745.0000 -138.45730 -131.10864 7.34866 2.76061 -129.73594 1015.85486
1750.0000 -139.51151 -131.43447 8.07704 2.64666 -131.44322 968.69600
FREEZING PROCESS: loop number 8 T-loop= 989.00000000000000
main_MD> interactions number 8 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43494 3.14488 -0.00337
force_rgl> df(natom) 2.90888 0.54171 1.87605
1755.0000 -137.84956 -130.62702 7.22253 2.62347 -131.79069 934.84220
1760.0000 -138.21005 -129.97939 8.23066 2.73297 -130.15004 1017.92412
1765.0000 -138.40544 -129.48754 8.91790 2.78077 -129.43375 1038.21131
1770.0000 -137.06733 -130.87164 6.19569 2.71230 -130.45972 984.02541
1775.0000 -137.45739 -129.89217 7.56523 2.68776 -130.82739 967.81150
1780.0000 -138.73825 -130.58383 8.15442 2.80106 -129.12983 1068.72918
1785.0000 -138.24761 -130.60444 7.64317 2.72558 -130.26077 981.86790
1790.0000 -136.62656 -127.84459 8.78197 2.87396 -128.03753 1087.20250
1795.0000 -137.19932 -129.52735 7.67197 2.80833 -129.02085 1068.46789
1800.0000 -136.75932 -129.79654 6.96278 2.73204 -130.16403 1011.54343
1805.0000 -136.62172 -129.19514 7.42658 2.79581 -129.20839 1064.88021
1810.0000 -136.09313 -129.36578 6.72735 2.77648 -129.49807 1061.85620
1815.0000 -139.79467 -130.88028 8.91439 2.68577 -130.85720 960.11201
1820.0000 -139.65854 -133.02196 6.63658 2.55831 -132.76703 868.76621
1825.0000 -139.13842 -131.76952 7.36889 2.56185 -132.71399 910.40032
1830.0000 -137.50908 -131.49681 6.01227 2.62923 -131.70438 924.05301
1835.0000 -138.39564 -130.81301 7.58263 2.64531 -131.46353 992.39033
1840.0000 -139.25015 -130.73838 8.51177 2.76275 -129.70375 1043.03394
1845.0000 -136.67572 -129.48609 7.18963 2.76135 -129.72478 1046.25136
1850.0000 -136.89978 -130.80694 6.09284 2.76909 -129.60883 1037.21365
1855.0000 -138.02667 -131.54389 6.48278 2.63924 -131.55453 900.39735
1860.0000 -139.02305 -131.25096 7.77209 2.66246 -131.20660 980.07466
1865.0000 -137.91924 -130.00587 7.91337 2.76186 -129.71710 1021.56820
1870.0000 -139.43230 -131.89518 7.53711 2.69038 -130.78821 966.52682
1875.0000 -137.45881 -128.72381 8.73500 2.72661 -130.24530 1005.74398
1880.0000 -136.99172 -128.60778 8.38395 2.82279 -128.80419 1056.87239
1885.0000 -138.20402 -129.29028 8.91374 2.81640 -128.89999 1094.22857
1890.0000 -137.81521 -130.05980 7.75541 2.77382 -129.53796 1046.54951
1895.0000 -136.58337 -127.73936 8.84401 2.79094 -129.28137 1036.02721
1900.0000 -136.52485 -127.88994 8.63491 2.86386 -128.18883 1089.01021
1905.0000 -136.48534 -129.26802 7.21732 2.80058 -129.13695 1066.70850
1910.0000 -137.06617 -129.72594 7.34023 2.77945 -129.45362 998.21590
1915.0000 -136.61107 -128.00248 8.60859 2.76922 -129.60682 1017.72678
1920.0000 -137.94657 -131.40311 6.54346 2.72799 -130.22461 984.39741
1925.0000 -136.98018 -129.97332 7.00685 2.70422 -130.58076 1005.13763
1930.0000 -135.78286 -127.68199 8.10087 2.79575 -129.20932 1017.07075
1935.0000 -137.11675 -128.74542 8.37132 2.84305 -128.50057 1068.18633
1940.0000 -136.98995 -129.96667 7.02328 2.75358 -129.84122 1013.51343
1945.0000 -137.74718 -130.01971 7.72747 2.75468 -129.82469 1025.14968
1950.0000 -137.81265 -130.37318 7.43947 2.72412 -130.28270 982.61322
1955.0000 -139.06874 -132.10454 6.96420 2.63239 -131.65702 941.73117
1960.0000 -139.40253 -133.15190 6.25063 2.59213 -132.26026 889.65046
1965.0000 -139.09521 -132.06916 7.02605 2.59403 -132.23187 924.24979
1970.0000 -138.70629 -130.30922 8.39707 2.68761 -130.82968 972.97273
1975.0000 -137.68878 -130.58141 7.10737 2.76439 -129.67930 1036.66258
1980.0000 -137.53653 -130.79944 6.73709 2.71542 -130.41304 992.87050
1985.0000 -137.87352 -130.31946 7.55405 2.74479 -129.97298 1010.43275
1990.0000 -136.91319 -130.82549 6.08769 2.62990 -131.69439 954.59234
1995.0000 -136.90753 -129.62356 7.28397 2.77202 -129.56488 1033.74858
2000.0000 -138.47263 -131.04450 7.42813 2.72128 -130.32517 990.28849
FREEZING PROCESS: loop number 9 T-loop= 964.00000000000000
main_MD> interactions number 9 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.81133 3.78547 1.60932
force_rgl> df(natom) -0.69760 -0.57265 2.67607
2005.0000 -138.75322 -131.67176 7.08147 2.71156 -130.47078 952.59568
2010.0000 -139.07333 -131.93202 7.14131 2.63972 -131.54733 902.55435
2015.0000 -138.97565 -132.17692 6.79873 2.57430 -132.52750 887.64164
2020.0000 -138.08058 -131.14529 6.93529 2.64508 -131.46701 957.71818
2025.0000 -138.16127 -131.18097 6.98029 2.61752 -131.87997 927.76447
2030.0000 -139.41506 -132.28998 7.12508 2.61401 -131.93245 921.00070
2035.0000 -137.80941 -131.31426 6.49515 2.61396 -131.93318 905.88249
2040.0000 -139.61775 -132.91982 6.69793 2.62427 -131.77880 949.25245
2045.0000 -138.47386 -131.38494 7.08893 2.63586 -131.60505 945.81674
2050.0000 -139.31236 -133.27399 6.03837 2.57410 -132.53053 872.68545
2055.0000 -139.93389 -133.20365 6.73024 2.61120 -131.97462 921.86556
2060.0000 -138.49785 -131.17771 7.32014 2.57006 -132.59103 906.15424
2065.0000 -138.95922 -131.79637 7.16285 2.63585 -131.60523 951.22631
2070.0000 -138.36494 -129.56338 8.80157 2.66669 -131.14317 947.19322
2075.0000 -137.88689 -131.15562 6.73127 2.69411 -130.73236 945.27976
2080.0000 -139.05803 -131.46416 7.59387 2.67196 -131.06424 967.17622
2085.0000 -138.71508 -130.86957 7.84551 2.66948 -131.10129 979.88470
2090.0000 -137.90360 -131.00474 6.89886 2.67842 -130.96738 963.05310
2095.0000 -138.45918 -132.10324 6.35594 2.68874 -130.81274 965.85457
2100.0000 -139.21104 -132.66372 6.54732 2.58266 -132.40223 875.92983
2105.0000 -138.73548 -132.33498 6.40051 2.63204 -131.66239 938.94726
2110.0000 -139.95861 -132.93872 7.01990 2.59949 -132.15013 908.55230
2115.0000 -137.99570 -130.22438 7.77132 2.60630 -132.04809 935.00510
2120.0000 -138.36448 -131.33137 7.03311 2.67026 -131.08970 954.56902
2125.0000 -137.81630 -130.17452 7.64178 2.71227 -130.46017 1024.87773
2130.0000 -137.51475 -130.47446 7.04028 2.71151 -130.47163 986.59493
2135.0000 -137.51452 -130.57847 6.93605 2.69914 -130.65694 1006.69134
2140.0000 -137.80552 -129.31513 8.49039 2.69710 -130.68750 967.44696
2145.0000 -138.23436 -132.34979 5.88457 2.67008 -131.09232 933.56303
2150.0000 -139.42326 -131.85636 7.56690 2.61105 -131.97684 949.07544
2155.0000 -138.80089 -131.64948 7.15141 2.60221 -132.10930 937.20415
2160.0000 -138.45020 -132.34960 6.10059 2.57719 -132.48418 910.45723
2165.0000 -139.18670 -131.94222 7.24448 2.61918 -131.85510 919.41794
2170.0000 -138.00573 -130.95001 7.05572 2.64317 -131.49558 958.02711
2175.0000 -140.04787 -132.68736 7.36051 2.68271 -130.90310 919.51672
2180.0000 -139.60645 -131.63204 7.97442 2.62226 -131.80883 925.37843
2185.0000 -139.12851 -132.07793 7.05058 2.58747 -132.33012 932.79448
2190.0000 -138.06785 -131.51503 6.55282 2.64075 -131.53182 917.81254
2195.0000 -137.88475 -131.20914 6.67561 2.67456 -131.02523 966.74119
2200.0000 -138.30641 -129.98897 8.31744 2.67543 -131.01216 991.22375
2205.0000 -138.68568 -131.66673 7.01895 2.65979 -131.24649 939.90536
2210.0000 -139.54996 -133.47225 6.07772 2.59759 -132.17854 908.33855
2215.0000 -139.17772 -131.38048 7.79724 2.61344 -131.94104 927.88210
2220.0000 -139.26361 -132.56070 6.70291 2.61305 -131.94683 921.52322
2225.0000 -137.79124 -131.13173 6.65951 2.63991 -131.54440 931.84873
2230.0000 -139.61770 -132.35054 7.26716 2.61272 -131.95189 923.05887
2235.0000 -138.06006 -131.82223 6.23783 2.59150 -132.26972 913.83035
2240.0000 -137.18226 -130.82096 6.36130 2.72533 -130.26452 1001.23810
2245.0000 -136.81854 -129.23267 7.58587 2.74747 -129.93278 1024.91492
2250.0000 -139.15888 -131.59332 7.56556 2.70471 -130.57343 926.05966
FREEZING PROCESS: loop number 10 T-loop= 939.00000000000000
main_MD> interactions number 10 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55993 1.05962 -2.65252
force_rgl> df(natom) 0.95442 1.44060 -4.25161
2255.0000 -138.24944 -130.52436 7.72509 2.70526 -130.56528 979.38687
2260.0000 -138.30805 -132.35858 5.94948 2.60973 -131.99659 877.95559
2265.0000 -138.01159 -131.51935 6.49224 2.65747 -131.28134 923.86925
2270.0000 -136.13662 -128.16421 7.97242 2.69611 -130.70236 977.01054
2275.0000 -137.68792 -130.77175 6.91617 2.70661 -130.54495 984.65917
2280.0000 -138.36204 -131.40716 6.95487 2.65511 -131.31673 952.12855
2285.0000 -136.68053 -130.62162 6.05891 2.66757 -131.12991 950.54666
2290.0000 -139.46733 -133.35427 6.11305 2.60310 -132.09604 893.25603
2295.0000 -137.99117 -131.45162 6.53955 2.62106 -131.82680 929.23265
2300.0000 -138.47650 -130.40666 8.06983 2.68794 -130.82468 971.32422
2305.0000 -139.02847 -131.82133 7.20714 2.67948 -130.95151 953.49438
2310.0000 -138.54815 -131.63862 6.90953 2.57851 -132.46440 884.15153
2315.0000 -137.60696 -131.22182 6.38514 2.67801 -130.97349 942.44284
2320.0000 -139.50515 -132.18527 7.31988 2.60792 -132.02379 926.02384
2325.0000 -137.76833 -130.98604 6.78229 2.64569 -131.45783 949.40327
2330.0000 -139.84425 -131.59764 8.24662 2.65962 -131.24909 934.66532
2335.0000 -138.34552 -131.55338 6.79215 2.62225 -131.80905 929.08783
2340.0000 -137.61491 -130.90068 6.71423 2.64760 -131.42924 930.12842
2345.0000 -139.27428 -131.29833 7.97595 2.66259 -131.20458 958.38193
2350.0000 -137.88284 -131.40312 6.47972 2.71654 -130.39626 989.48127
2355.0000 -137.88637 -131.29500 6.59136 2.65861 -131.26426 930.95020
2360.0000 -138.06432 -129.79308 8.27124 2.71499 -130.41946 1007.10246
2365.0000 -138.01960 -131.31518 6.70442 2.71583 -130.40680 1007.85992
2370.0000 -138.66701 -131.65885 7.00816 2.65282 -131.35097 952.63236
2375.0000 -139.17456 -132.33154 6.84302 2.62085 -131.83006 924.18979
2380.0000 -138.95587 -132.81472 6.14115 2.59911 -132.15574 900.31049
2385.0000 -139.06061 -132.74411 6.31650 2.57974 -132.44593 913.48095
2390.0000 -137.80515 -129.54438 8.26077 2.66061 -131.23424 971.99008
2395.0000 -139.26978 -131.81810 7.45169 2.68552 -130.86107 984.69927
2400.0000 -134.48193 -127.94933 6.53260 2.73179 -130.16774 984.08806
2405.0000 -137.06340 -129.96990 7.09350 2.75168 -129.86973 976.12458
2410.0000 -136.68664 -130.09411 6.59253 2.70784 -130.52661 953.60124
2415.0000 -139.88430 -132.16432 7.71999 2.65646 -131.29650 950.17309
2420.0000 -138.87237 -131.28367 7.58870 2.60553 -132.05958 897.90628
2425.0000 -139.16270 -132.98420 6.17850 2.60780 -132.02561 917.69189
2430.0000 -140.04501 -133.23405 6.81097 2.54008 -133.04028 825.41750
2435.0000 -138.41631 -132.04170 6.37461 2.60564 -132.05792 911.21752
2440.0000 -139.29064 -131.86491 7.42573 2.60995 -131.99333 907.06390
2445.0000 -139.30329 -132.64172 6.66157 2.59668 -132.19213 905.02543
2450.0000 -139.39990 -132.82495 6.57495 2.58107 -132.42611 875.42331
2455.0000 -140.42032 -133.01128 7.40904 2.54487 -132.96848 863.04165
2460.0000 -140.19971 -134.78064 5.41907 2.58675 -132.34093 913.69164
2465.0000 -140.34392 -133.28823 7.05570 2.47441 -134.02416 845.07563
2470.0000 -138.73181 -131.80454 6.92727 2.58485 -132.36937 882.19547
2475.0000 -137.82511 -132.07776 5.74735 2.64940 -131.40223 928.66967
2480.0000 -138.77056 -133.36416 5.40640 2.56619 -132.64897 886.88881
2485.0000 -138.71821 -131.10259 7.61561 2.56648 -132.64466 877.92775
2490.0000 -137.53851 -131.27631 6.26220 2.71828 -130.37010 983.90864
2495.0000 -138.37029 -131.34909 7.02120 2.64459 -131.47427 944.97459
2500.0000 -138.39903 -130.97588 7.42315 2.62835 -131.71762 917.85311
FREEZING PROCESS: loop number 11 T-loop= 914.00000000000000
main_MD> interactions number 11 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25956 -3.59593 0.06044
force_rgl> df(natom) 0.72893 1.59484 -1.59036
2505.0000 -137.58982 -131.19861 6.39121 2.67074 -131.08242 967.96295
2510.0000 -139.08087 -132.92989 6.15098 2.60182 -132.11509 875.95861
2515.0000 -140.08463 -133.66751 6.41712 2.53459 -133.12257 889.66754
2520.0000 -140.65050 -133.71645 6.93405 2.49337 -133.74014 840.47541
2525.0000 -137.23489 -130.12279 7.11210 2.61969 -131.84744 932.79581
2530.0000 -139.49283 -132.53284 6.95999 2.66314 -131.19637 976.66659
2535.0000 -138.90876 -132.62076 6.28800 2.54390 -132.98294 899.19977
2540.0000 -139.86214 -132.20097 7.66117 2.55611 -132.80003 879.45026
2545.0000 -138.93638 -131.65988 7.27650 2.59251 -132.25463 922.42214
2550.0000 -139.11424 -132.30780 6.80644 2.60580 -132.05545 923.42585
2555.0000 -141.14909 -133.66445 7.48464 2.55921 -132.75355 861.54961
2560.0000 -139.33257 -132.52026 6.81231 2.53906 -133.05549 870.64699
2565.0000 -138.00589 -131.78598 6.21991 2.56822 -132.61855 884.17126
2570.0000 -137.79230 -130.53995 7.25235 2.72873 -130.21361 984.16767
2575.0000 -137.41923 -129.80323 7.61599 2.74072 -130.03389 984.77904
2580.0000 -136.28405 -128.87749 7.40656 2.73262 -130.15535 1028.71714
2585.0000 -136.19187 -129.77133 6.42054 2.78704 -129.33980 1019.95761
2590.0000 -138.18928 -130.42147 7.76781 2.76072 -129.73427 1030.24285
2595.0000 -139.47130 -132.26855 7.20275 2.67452 -131.02588 947.57617
2600.0000 -137.94870 -130.96061 6.98809 2.56885 -132.60913 895.70251
2605.0000 -140.28755 -132.81550 7.47205 2.58593 -132.35328 921.94688
2610.0000 -138.73018 -132.42962 6.30056 2.55038 -132.88590 878.67316
2615.0000 -139.79355 -133.98496 5.80860 2.55326 -132.84273 866.56109
2620.0000 -140.09772 -133.31321 6.78451 2.54666 -132.94167 901.22854
2625.0000 -138.13367 -131.45221 6.68146 2.59940 -132.15145 891.79851
2630.0000 -139.74470 -133.58734 6.15736 2.59339 -132.24141 877.13561
2635.0000 -140.58739 -133.63781 6.94958 2.49547 -133.70859 819.89159
2640.0000 -139.64461 -132.01494 7.62967 2.58643 -132.34573 900.40806
2645.0000 -140.02769 -133.14726 6.88043 2.57958 -132.44839 891.00306
2650.0000 -140.16147 -133.57281 6.58866 2.48370 -133.88507 827.40813
2655.0000 -139.13008 -132.68149 6.44859 2.57333 -132.54200 903.98848
2660.0000 -139.22823 -131.88883 7.33940 2.59595 -132.20310 926.12166
2665.0000 -139.47182 -130.58611 8.88571 2.65387 -131.33526 966.24249
2670.0000 -138.63916 -131.40403 7.23513 2.69078 -130.78227 972.67292
2675.0000 -138.06852 -131.42434 6.64418 2.64598 -131.45340 977.17459
2680.0000 -140.59213 -132.98493 7.60719 2.63696 -131.58866 928.00336
2685.0000 -138.61897 -130.97414 7.64483 2.54740 -132.93056 872.11385
2690.0000 -139.16801 -132.44079 6.72722 2.60434 -132.07739 913.27156
2695.0000 -139.25773 -132.58521 6.67253 2.59646 -132.19547 884.66716
2700.0000 -138.90412 -132.31551 6.58861 2.59935 -132.15213 926.72927
2705.0000 -139.51049 -133.58820 5.92229 2.55632 -132.79684 915.61864
2710.0000 -139.70714 -133.52210 6.18503 2.53870 -133.06096 872.94698
2715.0000 -138.96102 -133.13267 5.82835 2.49506 -133.71477 842.68381
2720.0000 -140.36557 -134.28114 6.08444 2.53877 -133.05982 852.35293
2725.0000 -139.34736 -131.09193 8.25544 2.56831 -132.61722 875.37340
2730.0000 -138.29219 -133.12519 5.16700 2.55078 -132.87995 873.39928
2735.0000 -140.54032 -134.46430 6.07602 2.49978 -133.64412 835.23024
2740.0000 -138.54193 -132.57892 5.96302 2.54970 -132.89611 882.19683
2745.0000 -139.70979 -132.80221 6.90758 2.48846 -133.81368 834.27379
2750.0000 -138.84136 -131.08911 7.75225 2.59994 -132.14338 900.67876
FREEZING PROCESS: loop number 12 T-loop= 889.00000000000000
main_MD> interactions number 12 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55983 -1.60207 -3.97891
force_rgl> df(natom) -1.36124 -0.47919 0.73697
2755.0000 -140.40980 -134.40446 6.00535 2.51648 -133.39392 870.26014
2760.0000 -139.23518 -133.30328 5.93190 2.51708 -133.38485 858.07977
2765.0000 -139.06976 -132.62120 6.44856 2.60014 -132.14028 893.41056
2770.0000 -139.00780 -132.65876 6.34904 2.60033 -132.13747 862.47957
2775.0000 -138.14226 -131.34535 6.79691 2.65255 -131.35503 910.90364
2780.0000 -138.52385 -131.72049 6.80336 2.62639 -131.74703 920.95962
2785.0000 -137.10108 -130.17511 6.92597 2.71886 -130.36142 978.82616
2790.0000 -137.80894 -131.02173 6.78721 2.73382 -130.13731 988.29752
2795.0000 -140.91372 -133.20736 7.70637 2.61072 -131.98173 906.42014
2800.0000 -139.88773 -133.10640 6.78132 2.53857 -133.06287 862.62216
2805.0000 -140.49775 -132.44565 8.05209 2.55206 -132.86077 891.58860
2810.0000 -139.31076 -133.46011 5.85065 2.57166 -132.56703 914.41401
2815.0000 -138.38666 -133.10296 5.28370 2.51706 -133.38510 843.34242
2820.0000 -138.87657 -132.94762 5.92895 2.53411 -133.12977 854.33810
2825.0000 -138.65745 -131.91115 6.74630 2.58013 -132.44017 915.59529
2830.0000 -139.41879 -132.92957 6.48922 2.57072 -132.58107 932.00967
2835.0000 -139.61476 -134.06054 5.55422 2.48108 -133.92425 860.75508
2840.0000 -139.56884 -132.62480 6.94404 2.52812 -133.21946 857.54284
2845.0000 -137.53686 -130.75969 6.77717 2.63040 -131.68686 892.46531
2850.0000 -140.67923 -133.56014 7.11909 2.61098 -131.97787 904.10805
2855.0000 -140.28234 -134.05082 6.23152 2.45268 -134.34982 812.57954
2860.0000 -139.05815 -132.39893 6.65922 2.52705 -133.23542 850.67521
2865.0000 -139.58958 -134.05435 5.53523 2.52443 -133.27467 839.38659
2870.0000 -140.97866 -134.41413 6.56453 2.49605 -133.69996 844.65299
2875.0000 -139.53025 -132.93375 6.59650 2.41705 -134.88361 811.14036
2880.0000 -139.26858 -131.42915 7.83943 2.59548 -132.21012 937.26927
2885.0000 -139.75875 -131.96007 7.79868 2.61736 -131.88230 919.34703
2890.0000 -141.07730 -133.80397 7.27332 2.57773 -132.47610 914.51865
2895.0000 -139.84072 -134.33491 5.50581 2.45678 -134.28831 797.19132
2900.0000 -139.52138 -133.92472 5.59666 2.44440 -134.47385 791.50799
2905.0000 -141.02832 -133.68172 7.34661 2.50216 -133.60837 830.96835
2910.0000 -139.17120 -133.27076 5.90045 2.50731 -133.53120 863.03260
2915.0000 -139.69694 -132.96176 6.73517 2.52836 -133.21591 896.40773
2920.0000 -138.97136 -132.73446 6.23690 2.54770 -132.92608 878.18017
2925.0000 -138.59601 -133.03315 5.56286 2.57096 -132.57754 853.74818
2930.0000 -139.12086 -131.70599 7.41486 2.59225 -132.25860 885.25131
2935.0000 -137.80462 -130.90103 6.90359 2.68210 -130.91220 978.63307
2940.0000 -138.22401 -130.86680 7.35720 2.68061 -130.93451 962.65929
2945.0000 -139.28175 -132.40324 6.87852 2.61889 -131.85930 884.29266
2950.0000 -138.92999 -132.07851 6.85148 2.53182 -133.16394 843.76950
2955.0000 -140.37769 -133.73460 6.64309 2.56428 -132.67765 917.91221
2960.0000 -140.91048 -133.85960 7.05087 2.46129 -134.22083 823.41208
2965.0000 -139.14642 -132.71708 6.42934 2.51184 -133.46343 848.77755
2970.0000 -138.68114 -131.26821 7.41293 2.64466 -131.47332 951.54607
2975.0000 -139.41818 -133.32787 6.09031 2.59976 -132.14601 914.12748
2980.0000 -138.87513 -132.15250 6.72263 2.57867 -132.46203 911.77165
2985.0000 -137.69758 -131.47670 6.22089 2.61133 -131.97268 926.51606
2990.0000 -139.68866 -132.92709 6.76157 2.62168 -131.81759 945.82102
2995.0000 -138.73072 -133.50344 5.22728 2.55084 -132.87907 883.77958
3000.0000 -139.56510 -133.48241 6.08268 2.48561 -133.85634 857.01389
FREEZING PROCESS: loop number 13 T-loop= 864.00000000000000
main_MD> interactions number 13 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88903 -1.48825 -0.31055
force_rgl> df(natom) 0.68166 1.48889 1.29710
3005.0000 -139.90534 -134.11122 5.79412 2.49895 -133.65650 833.03107
3010.0000 -139.68076 -132.54469 7.13606 2.55673 -132.79077 866.36279
3015.0000 -139.18081 -131.29844 7.88237 2.58926 -132.30339 882.24876
3020.0000 -139.68009 -132.90233 6.77776 2.64478 -131.47142 883.55990
3025.0000 -139.35057 -132.52305 6.82752 2.58492 -132.36830 890.99494
3030.0000 -139.66568 -133.90054 5.76515 2.53634 -133.09623 862.24539
3035.0000 -138.63685 -132.01585 6.62099 2.60343 -132.09106 914.39221
3040.0000 -139.76702 -132.19593 7.57109 2.58118 -132.42441 890.53378
3045.0000 -141.59928 -135.41872 6.18055 2.47194 -134.06129 823.80917
3050.0000 -140.15852 -133.51484 6.64368 2.44730 -134.43041 834.95496
3055.0000 -140.73429 -134.13895 6.59534 2.46155 -134.21692 818.92099
3060.0000 -140.54860 -134.89062 5.65798 2.41315 -134.94218 801.16553
3065.0000 -140.28013 -133.08258 7.19755 2.51923 -133.35268 857.44606
3070.0000 -138.69768 -131.91710 6.78058 2.57312 -132.54512 902.39775
3075.0000 -140.06479 -133.26378 6.80101 2.59425 -132.22854 927.24619
3080.0000 -139.42986 -133.20655 6.22330 2.52762 -133.22698 870.83162
3085.0000 -139.41168 -132.74691 6.66477 2.57340 -132.54093 875.76817
3090.0000 -140.77163 -134.48792 6.28372 2.50065 -133.63101 851.71993
3095.0000 -139.68696 -133.74365 5.94331 2.44041 -134.53369 794.60729
3100.0000 -139.32710 -133.07217 6.25493 2.52580 -133.25415 870.28192
3105.0000 -141.00588 -134.55408 6.45181 2.51012 -133.48917 853.76570
3110.0000 -140.94884 -134.66051 6.28833 2.44768 -134.42476 807.28773
3115.0000 -140.07303 -132.90646 7.16657 2.52632 -133.24634 847.77402
3120.0000 -140.21329 -134.53386 5.67943 2.52261 -133.30204 841.33937
3125.0000 -140.81170 -134.09215 6.71955 2.41590 -134.90087 783.05737
3130.0000 -139.49084 -132.33512 7.15572 2.53837 -133.06593 863.61783
3135.0000 -138.90611 -132.34970 6.55641 2.57631 -132.49740 870.17807
3140.0000 -140.24425 -133.06032 7.18393 2.57241 -132.55577 914.31499
3145.0000 -138.35584 -132.11168 6.24416 2.60155 -132.11925 889.06267
3150.0000 -141.22442 -133.74453 7.47988 2.56086 -132.72892 868.00179
3155.0000 -140.10445 -133.36503 6.73942 2.55369 -132.83635 884.03735
3160.0000 -139.63439 -133.08682 6.54756 2.51833 -133.36612 860.53302
3165.0000 -140.25429 -135.36477 4.88952 2.50625 -133.54712 823.68570
3170.0000 -142.36306 -135.92119 6.44187 2.32706 -136.23211 719.48816
3175.0000 -140.27737 -134.29187 5.98549 2.40386 -135.08127 778.51460
3180.0000 -139.72197 -134.68631 5.03566 2.49750 -133.67827 827.00492
3185.0000 -138.83550 -133.45463 5.38087 2.51951 -133.34839 849.49268
3190.0000 -139.04377 -131.56889 7.47489 2.57279 -132.55016 896.72796
3195.0000 -139.38676 -133.13503 6.25173 2.58893 -132.30822 917.23876
3200.0000 -139.60325 -133.56846 6.03479 2.54146 -133.01956 893.67875
3205.0000 -139.30779 -132.72091 6.58688 2.54426 -132.97761 867.30888
3210.0000 -141.13229 -134.36209 6.77020 2.50418 -133.57814 835.20183
3215.0000 -140.42765 -134.61238 5.81527 2.40073 -135.12824 757.89144
3220.0000 -138.59784 -132.81163 5.78621 2.53871 -133.06081 884.31360
3225.0000 -138.21301 -131.95427 6.25874 2.57135 -132.57168 872.68843
3230.0000 -139.26829 -132.74385 6.52444 2.57050 -132.58450 886.46215
3235.0000 -138.91861 -132.36104 6.55757 2.56563 -132.65748 881.32826
3240.0000 -138.78040 -131.90904 6.87136 2.52983 -133.19383 831.20197
3245.0000 -138.92820 -133.43937 5.48883 2.57649 -132.49464 877.57226
3250.0000 -139.23673 -132.84575 6.39098 2.53238 -133.15560 845.48374
FREEZING PROCESS: loop number 14 T-loop= 839.00000000000000
main_MD> interactions number 14 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.90273 4.49604 -0.32858
force_rgl> df(natom) 1.58955 3.11741 4.70930
3255.0000 -139.31984 -132.56927 6.75057 2.58107 -132.42600 887.99007
3260.0000 -141.00059 -134.78181 6.21878 2.49533 -133.71068 846.66589
3265.0000 -142.51653 -136.80497 5.71156 2.32708 -136.23182 716.11841
3270.0000 -141.63380 -136.53476 5.09904 2.33551 -136.10545 739.59437
3275.0000 -139.78736 -133.52398 6.26337 2.42092 -134.82567 768.10495
3280.0000 -140.22330 -133.09113 7.13216 2.51876 -133.35967 886.09594
3285.0000 -138.78044 -134.23224 4.54819 2.54337 -132.99090 856.21451
3290.0000 -139.94928 -133.99052 5.95876 2.49330 -133.74116 857.52247
3295.0000 -139.06614 -132.98874 6.07741 2.47772 -133.97461 847.45962
3300.0000 -138.92467 -132.47659 6.44808 2.60723 -132.03401 920.40033
3305.0000 -139.63424 -133.02549 6.60875 2.55077 -132.88012 882.94821
3310.0000 -141.12044 -133.72488 7.39556 2.46702 -134.13491 793.51525
3315.0000 -140.70057 -134.28143 6.41914 2.47760 -133.97642 831.68705
3320.0000 -140.26782 -134.17144 6.09638 2.44963 -134.39554 814.68478
3325.0000 -140.21613 -134.01819 6.19794 2.45610 -134.29853 840.96051
3330.0000 -140.60467 -134.22777 6.37691 2.44047 -134.53283 790.79623
3335.0000 -140.30962 -134.33589 5.97374 2.46815 -134.11807 800.89214
3340.0000 -138.92160 -133.11832 5.80328 2.43745 -134.57803 797.98689
3345.0000 -140.00011 -133.87531 6.12480 2.45992 -134.24133 815.11866
3350.0000 -139.75329 -131.68799 8.06530 2.57719 -132.48424 858.04617
3355.0000 -139.97324 -133.45036 6.52288 2.59513 -132.21544 924.89539
3360.0000 -140.74289 -134.77030 5.97259 2.42637 -134.74407 817.75773
3365.0000 -140.68394 -134.55808 6.12586 2.47331 -134.04073 824.34676
3370.0000 -139.61940 -133.95471 5.66468 2.48922 -133.80226 863.23642
3375.0000 -140.13341 -133.68414 6.44928 2.53267 -133.15129 875.96383
3380.0000 -140.21778 -133.36863 6.84915 2.49588 -133.70258 837.34882
3385.0000 -141.20523 -134.11297 7.09227 2.52202 -133.31082 838.62641
3390.0000 -138.98087 -132.98884 5.99203 2.52195 -133.31197 831.31090
3395.0000 -139.65130 -132.78240 6.86890 2.60056 -132.13399 925.34786
3400.0000 -139.59150 -133.18141 6.41008 2.49046 -133.78366 840.92472
3405.0000 -139.68943 -132.55499 7.13444 2.53422 -133.12798 833.44726
3410.0000 -139.44028 -134.07533 5.36495 2.54262 -133.00213 858.64315
3415.0000 -138.80922 -132.06922 6.74000 2.52825 -133.21748 846.21855
3420.0000 -138.79175 -132.00506 6.78669 2.62478 -131.77109 923.82607
3425.0000 -141.12203 -133.47301 7.64902 2.51567 -133.40601 825.30557
3430.0000 -138.79838 -132.71177 6.08661 2.53519 -133.11356 865.54669
3435.0000 -140.12577 -134.30678 5.81898 2.52021 -133.33794 842.87949
3440.0000 -139.91275 -134.12004 5.79271 2.50968 -133.49577 868.84590
3445.0000 -141.05102 -135.63161 5.41941 2.46112 -134.22332 800.35383
3450.0000 -140.48229 -133.64553 6.83676 2.37667 -135.48871 758.49546
3455.0000 -140.10166 -133.69121 6.41045 2.46529 -134.16084 810.10603
3460.0000 -139.55350 -133.97056 5.58294 2.48157 -133.91687 807.37482
3465.0000 -138.76065 -132.89799 5.86266 2.49570 -133.70518 832.35213
3470.0000 -140.18381 -133.28215 6.90166 2.58029 -132.43773 896.95937
3475.0000 -140.88906 -133.99914 6.88992 2.45824 -134.26644 820.92083
3480.0000 -141.29735 -135.17760 6.11975 2.40945 -134.99761 768.47565
3485.0000 -140.84562 -134.00182 6.84380 2.46511 -134.16360 836.44410
3490.0000 -140.75523 -135.22451 5.53072 2.43862 -134.56051 804.49197
3495.0000 -139.39840 -133.71506 5.68333 2.40503 -135.06386 761.99419
3500.0000 -139.41725 -132.42853 6.98871 2.54946 -132.89963 861.72995
FREEZING PROCESS: loop number 15 T-loop= 814.00000000000000
main_MD> interactions number 15 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29792 0.12033 0.75475
force_rgl> df(natom) 1.69623 -0.23807 1.13012
3505.0000 -140.52556 -134.38286 6.14269 2.47052 -134.08245 845.77729
3510.0000 -141.45977 -135.90555 5.55422 2.44031 -134.53522 805.50241
3515.0000 -139.95826 -133.94431 6.01395 2.40110 -135.12265 768.77374
3520.0000 -141.51318 -134.27013 7.24304 2.46083 -134.22763 832.55713
3525.0000 -139.13817 -134.90005 4.23812 2.44339 -134.48898 802.87140
3530.0000 -139.16987 -133.89381 5.27605 2.41964 -134.84489 781.69902
3535.0000 -140.34253 -133.79790 6.54463 2.48555 -133.85726 802.50979
3540.0000 -140.82652 -135.93812 4.88840 2.45554 -134.30703 779.90274
3545.0000 -140.90850 -135.10036 5.80814 2.37498 -135.51406 719.11780
3550.0000 -139.64105 -134.65962 4.98142 2.38871 -135.30829 756.17941
3555.0000 -139.49688 -134.00592 5.49096 2.43797 -134.57023 797.87620
3560.0000 -140.15372 -134.78486 5.36886 2.49122 -133.77227 823.92488
3565.0000 -139.75951 -133.41077 6.34874 2.46010 -134.23861 791.09420
3570.0000 -139.85094 -133.48773 6.36321 2.52767 -133.22619 841.82489
3575.0000 -140.31592 -134.07104 6.24488 2.48687 -133.83753 833.36753
3580.0000 -139.75310 -132.97728 6.77582 2.53499 -133.11647 855.12249
3585.0000 -139.36360 -132.17427 7.18933 2.55810 -132.77025 855.41006
3590.0000 -139.57488 -132.70665 6.86822 2.55034 -132.88649 891.24088
3595.0000 -140.26430 -134.55009 5.71421 2.50214 -133.60869 861.19970
3600.0000 -139.62619 -134.20920 5.41699 2.39261 -135.24982 773.57703
3605.0000 -139.85497 -133.75929 6.09568 2.49385 -133.73298 834.14724
3610.0000 -138.63966 -133.53687 5.10279 2.56170 -132.71631 867.36814
3615.0000 -139.93860 -134.50687 5.43173 2.52261 -133.30199 850.17900
3620.0000 -140.94574 -133.68585 7.25990 2.48663 -133.84109 844.13343
3625.0000 -141.33178 -135.72628 5.60550 2.44768 -134.42479 843.98872
3630.0000 -141.34503 -136.46023 4.88480 2.36229 -135.70419 744.00318
3635.0000 -141.30091 -136.26978 5.03113 2.32211 -136.30622 736.36890
3640.0000 -139.42011 -133.98512 5.43499 2.41730 -134.87987 793.70761
3645.0000 -140.38784 -134.80838 5.57946 2.45554 -134.30689 814.19370
3650.0000 -138.78491 -132.93612 5.84878 2.52930 -133.20177 853.43501
3655.0000 -140.25675 -134.47897 5.77778 2.45189 -134.36158 820.83159
3660.0000 -140.57499 -135.07860 5.49640 2.41239 -134.95344 781.07488
3665.0000 -141.37049 -135.66890 5.70160 2.39665 -135.18930 749.84097
3670.0000 -141.28184 -135.43284 5.84900 2.36852 -135.61081 729.01302
3675.0000 -141.86883 -135.42262 6.44621 2.40098 -135.12452 762.20155
3680.0000 -140.50437 -135.38363 5.12074 2.35282 -135.84603 709.42061
3685.0000 -139.99532 -135.27351 4.72181 2.36923 -135.60024 717.53765
3690.0000 -140.39585 -134.86444 5.53141 2.43531 -134.61012 817.98508
3695.0000 -141.52924 -135.32463 6.20462 2.42657 -134.74100 776.58031
3700.0000 -138.88688 -132.32624 6.56064 2.48143 -133.91898 851.68663
3705.0000 -140.47958 -134.84246 5.63713 2.48683 -133.83807 810.36628
3710.0000 -141.26395 -135.60657 5.65738 2.45181 -134.36291 810.30079
3715.0000 -140.27474 -134.50188 5.77287 2.41355 -134.93609 799.15371
3720.0000 -140.58933 -133.59717 6.99216 2.49378 -133.73402 825.48007
3725.0000 -139.50334 -132.43370 7.06964 2.53982 -133.04410 853.77464
3730.0000 -140.24064 -132.86216 7.37847 2.56223 -132.70830 878.46081
3735.0000 -140.16044 -134.50700 5.65344 2.50851 -133.51331 850.32837
3740.0000 -140.78618 -134.58602 6.20016 2.45656 -134.29174 817.46305
3745.0000 -139.27076 -133.23023 6.04053 2.49388 -133.73255 860.24088
3750.0000 -139.96564 -135.08094 4.88469 2.47585 -134.00257 853.97648
FREEZING PROCESS: loop number 16 T-loop= 789.00000000000000
main_MD> interactions number 16 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08072 -1.24709 3.21212
force_rgl> df(natom) 0.57073 0.51181 1.68036
3755.0000 -139.65582 -134.17461 5.48121 2.45305 -134.34429 783.82737
3760.0000 -139.93601 -134.40603 5.52998 2.45653 -134.29211 774.45189
3765.0000 -140.06422 -134.94052 5.12370 2.47193 -134.06138 809.82472
3770.0000 -140.41204 -133.50040 6.91164 2.45252 -134.35214 810.56866
3775.0000 -139.68325 -133.66933 6.01393 2.52237 -133.30556 851.32080
3780.0000 -139.75088 -133.52849 6.22238 2.46854 -134.11212 821.60048
3785.0000 -141.30780 -134.87683 6.43097 2.40520 -135.06131 780.31956
3790.0000 -140.87993 -134.82312 6.05681 2.39013 -135.28699 771.53099
3795.0000 -140.74471 -134.70224 6.04247 2.43298 -134.64496 796.19612
3800.0000 -140.51014 -135.87961 4.63053 2.35497 -135.81387 729.95112
3805.0000 -141.26369 -135.65498 5.60871 2.35741 -135.77728 717.66169
3810.0000 -139.78609 -134.22935 5.55674 2.40372 -135.08340 757.97914
3815.0000 -140.90700 -135.10355 5.80344 2.40387 -135.08123 750.88047
3820.0000 -142.15214 -135.43671 6.71544 2.42709 -134.73319 799.80054
3825.0000 -140.04512 -133.83101 6.21411 2.41004 -134.98868 789.72117
3830.0000 -139.40728 -133.46851 5.93877 2.49644 -133.69406 861.30072
3835.0000 -140.45096 -134.23172 6.21924 2.47626 -133.99645 809.13836
3840.0000 -139.84612 -133.94473 5.90139 2.47474 -134.01932 811.94872
3845.0000 -139.84419 -134.68353 5.16066 2.45813 -134.26821 815.22847
3850.0000 -140.35145 -133.04019 7.31127 2.43896 -134.55542 799.41518
3855.0000 -138.97402 -132.58828 6.38574 2.52332 -133.29134 862.87549
3860.0000 -140.44305 -133.76806 6.67499 2.51506 -133.41512 844.57339
3865.0000 -140.59844 -134.01934 6.57910 2.48217 -133.90788 827.52504
3870.0000 -141.25191 -134.38172 6.87018 2.45833 -134.26514 800.14632
3875.0000 -141.53502 -136.11041 5.42461 2.36948 -135.59651 757.31760
3880.0000 -141.84190 -137.00608 4.83582 2.28676 -136.83589 686.43107
3885.0000 -141.34866 -135.34172 6.00694 2.30589 -136.54920 703.52938
3890.0000 -141.69011 -136.36483 5.32528 2.31814 -136.36566 692.24953
3895.0000 -141.09912 -135.35688 5.74224 2.33157 -136.16455 699.68891
3900.0000 -140.43822 -135.12429 5.31393 2.39124 -135.27037 754.49063
3905.0000 -139.99419 -134.22550 5.76869 2.42002 -134.83921 768.80702
3910.0000 -140.62162 -135.16609 5.45553 2.46042 -134.23383 803.38330
3915.0000 -140.39161 -134.12239 6.26921 2.46528 -134.16097 798.32648
3920.0000 -141.20750 -134.51424 6.69326 2.42758 -134.72593 793.18578
3925.0000 -141.84357 -135.84336 6.00022 2.41939 -134.84869 824.70193
3930.0000 -140.72036 -134.97235 5.74801 2.40397 -135.07972 768.00381
3935.0000 -140.06295 -134.03272 6.03023 2.43260 -134.65064 777.85638
3940.0000 -141.49717 -135.61277 5.88440 2.37394 -135.52961 730.00594
3945.0000 -141.22097 -135.42049 5.80047 2.42705 -134.73378 747.95668
3950.0000 -141.34845 -134.65914 6.68931 2.39842 -135.16287 766.92814
3955.0000 -140.52148 -135.09441 5.42707 2.42426 -134.77560 747.04964
3960.0000 -139.07157 -133.35780 5.71377 2.44510 -134.46345 797.58447
3965.0000 -140.16191 -134.79813 5.36379 2.51332 -133.44123 841.18099
3970.0000 -140.28143 -133.69065 6.59078 2.49041 -133.78442 845.08961
3975.0000 -139.74699 -134.19854 5.54845 2.45287 -134.34702 786.00206
3980.0000 -141.36976 -135.96805 5.40171 2.38930 -135.29955 757.07511
3985.0000 -141.61980 -136.11789 5.50191 2.32517 -136.26036 704.86277
3990.0000 -139.76578 -134.78755 4.97823 2.34391 -135.97955 735.39236
3995.0000 -141.28412 -135.64407 5.64005 2.36761 -135.62449 743.58899
4000.0000 -140.55850 -135.70642 4.85207 2.33963 -136.04368 690.96135
FREEZING PROCESS: loop number 17 T-loop= 764.00000000000000
main_MD> interactions number 17 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63898 -0.26583 1.74351
force_rgl> df(natom) -0.11685 -0.92225 0.37784
4005.0000 -140.61319 -135.27135 5.34184 2.36655 -135.64041 759.81050
4010.0000 -140.17651 -135.00505 5.17146 2.37687 -135.48575 785.92374
4015.0000 -142.38688 -137.22713 5.15975 2.33590 -136.09958 743.12406
4020.0000 -142.63350 -137.75164 4.88186 2.23842 -137.56014 665.85557
4025.0000 -140.71640 -135.34326 5.37314 2.28736 -136.82698 693.79677
4030.0000 -141.54200 -135.97338 5.56862 2.38208 -135.40765 758.43576
4035.0000 -140.79475 -135.76422 5.03053 2.33791 -136.06945 722.01553
4040.0000 -140.49390 -134.88559 5.60831 2.38817 -135.31640 739.65798
4045.0000 -140.33742 -133.98764 6.34978 2.42796 -134.72023 781.76251
4050.0000 -140.86082 -135.14287 5.71795 2.43413 -134.62783 816.45288
4055.0000 -142.26420 -136.83233 5.43187 2.32129 -136.31858 696.07504
4060.0000 -140.65338 -134.91043 5.74295 2.35595 -135.79922 741.03309
4065.0000 -140.66566 -135.36801 5.29766 2.39564 -135.20451 752.00895
4070.0000 -140.95837 -134.71114 6.24723 2.37637 -135.49329 754.58228
4075.0000 -140.24515 -134.44820 5.79694 2.40927 -135.00032 792.46694
4080.0000 -141.39371 -135.40152 5.99220 2.44882 -134.40762 799.92732
4085.0000 -141.78821 -135.71622 6.07199 2.39429 -135.22466 785.98446
4090.0000 -141.18438 -136.96880 4.21558 2.30252 -136.59979 703.24122
4095.0000 -141.27470 -136.48129 4.79341 2.29201 -136.75723 658.54704
4100.0000 -140.20125 -133.99606 6.20518 2.42419 -134.77667 755.46804
4105.0000 -142.52420 -136.41908 6.10512 2.37824 -135.46522 766.66490
4110.0000 -142.07862 -136.90081 5.17781 2.26400 -137.17692 674.42297
4115.0000 -142.50378 -136.50537 5.99840 2.34427 -135.97416 749.13390
4120.0000 -141.40946 -135.97130 5.43816 2.31325 -136.43903 706.37005
4125.0000 -140.95722 -134.85817 6.09904 2.40612 -135.04743 793.44072
4130.0000 -138.56907 -132.97300 5.59607 2.44862 -134.41067 837.31922
4135.0000 -139.38316 -133.04457 6.33859 2.52135 -133.32093 871.32165
4140.0000 -140.58319 -135.10524 5.47795 2.50736 -133.53043 826.92423
4145.0000 -140.40337 -135.50506 4.89831 2.39367 -135.23404 759.63611
4150.0000 -140.80142 -135.02684 5.77458 2.44157 -134.51631 767.08930
4155.0000 -140.32175 -134.52001 5.80174 2.36372 -135.68273 750.83566
4160.0000 -141.63532 -135.66179 5.97353 2.44052 -134.53199 800.01238
4165.0000 -141.60367 -136.85327 4.75040 2.29403 -136.72702 705.63895
4170.0000 -141.99398 -136.19456 5.79942 2.30977 -136.49116 688.07931
4175.0000 -140.48630 -135.42946 5.05684 2.36692 -135.63479 725.95561
4180.0000 -140.96355 -134.88002 6.08353 2.42737 -134.72901 766.98238
4185.0000 -141.65873 -136.64966 5.00907 2.30345 -136.58584 677.84044
4190.0000 -139.77357 -134.77887 4.99470 2.38983 -135.29154 755.32079
4195.0000 -141.21493 -135.35162 5.86331 2.36433 -135.67362 725.82824
4200.0000 -140.89596 -136.16839 4.72757 2.38585 -135.35114 745.76463
4205.0000 -141.38549 -135.77630 5.60919 2.34848 -135.91114 734.97548
4210.0000 -141.69455 -135.71300 5.98155 2.34737 -135.92773 723.61279
4215.0000 -141.11389 -136.04049 5.07340 2.38071 -135.42826 755.41968
4220.0000 -141.47372 -135.40037 6.07335 2.39010 -135.28751 771.01518
4225.0000 -141.72669 -134.99098 6.73572 2.31738 -136.37706 729.87547
4230.0000 -141.09434 -135.11241 5.98193 2.41846 -134.86254 785.08322
4235.0000 -141.06127 -135.71269 5.34858 2.37759 -135.47496 739.32815
4240.0000 -140.89219 -135.04547 5.84672 2.34502 -135.96303 714.08546
4245.0000 -139.95186 -134.73079 5.22108 2.38919 -135.30116 748.42418
4250.0000 -139.74554 -133.83561 5.90992 2.47433 -134.02543 808.19131
FREEZING PROCESS: loop number 18 T-loop= 739.00000000000000
main_MD> interactions number 18 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09540 2.27781 0.25580
force_rgl> df(natom) -2.24337 -0.19486 -1.77003
4255.0000 -140.21200 -135.03690 5.17510 2.42696 -134.73525 766.52286
4260.0000 -139.41741 -135.07520 4.34222 2.39447 -135.22206 767.74121
4265.0000 -140.32550 -135.42322 4.90228 2.32583 -136.25053 701.52445
4270.0000 -140.92475 -135.79108 5.13367 2.38925 -135.30029 757.68147
4275.0000 -141.35862 -135.90390 5.45473 2.34353 -135.98533 713.56926
4280.0000 -141.41966 -136.18003 5.23963 2.34197 -136.00867 720.65313
4285.0000 -141.88426 -135.39612 6.48814 2.37621 -135.49560 764.93850
4290.0000 -140.40016 -134.89797 5.50218 2.41396 -134.92998 786.50412
4295.0000 -142.15733 -137.03375 5.12358 2.38379 -135.38205 725.15575
4300.0000 -141.86473 -136.81462 5.05011 2.25904 -137.25132 680.89408
4305.0000 -142.71486 -137.58702 5.12784 2.28930 -136.79790 699.87852
4310.0000 -143.10930 -137.14830 5.96099 2.26651 -137.13932 695.69689
4315.0000 -141.98317 -136.30576 5.67741 2.24042 -137.53028 675.02369
4320.0000 -141.67762 -136.86508 4.81253 2.34962 -135.89402 720.57166
4325.0000 -142.08166 -135.15890 6.92277 2.33239 -136.15218 721.01707
4330.0000 -141.02277 -135.66127 5.36150 2.34488 -135.96498 731.05121
4335.0000 -141.02416 -135.76249 5.26167 2.30547 -136.55556 669.22444
4340.0000 -141.06385 -135.82066 5.24319 2.35252 -135.85055 716.18638
4345.0000 -141.17402 -136.45276 4.72125 2.33556 -136.10467 712.57679
4350.0000 -142.53437 -137.71135 4.82302 2.25791 -137.26818 677.86941
4355.0000 -141.94897 -136.54987 5.39910 2.25275 -137.34556 661.33471
4360.0000 -140.52215 -134.76940 5.75275 2.40569 -135.05394 753.42815
4365.0000 -140.55771 -134.67561 5.88210 2.41671 -134.88874 795.51981
4370.0000 -141.12572 -135.33030 5.79542 2.39647 -135.19199 760.32601
4375.0000 -142.28728 -135.45206 6.83522 2.41548 -134.90726 776.45880
4380.0000 -141.48248 -136.42319 5.05930 2.35119 -135.87053 739.37908
4385.0000 -142.26156 -136.98166 5.27990 2.30360 -136.58351 705.08921
4390.0000 -142.11636 -137.41060 4.70576 2.27645 -136.99039 689.02568
4395.0000 -141.53362 -136.14186 5.39176 2.28152 -136.91449 674.72393
4400.0000 -141.45982 -136.12162 5.33820 2.35722 -135.78013 739.26989
4405.0000 -140.99183 -136.27631 4.71552 2.30667 -136.53752 680.84769
4410.0000 -141.77213 -136.36136 5.41077 2.38524 -135.36034 750.29800
4415.0000 -140.96133 -136.07387 4.88746 2.31714 -136.38069 700.97585
4420.0000 -141.67695 -135.55290 6.12405 2.31301 -136.44252 702.85972
4425.0000 -140.52642 -134.97308 5.55334 2.38009 -135.43753 745.68849
4430.0000 -140.61447 -135.23499 5.37947 2.40937 -134.99870 776.88412
4435.0000 -141.61631 -136.24974 5.36657 2.33369 -136.13271 718.65368
4440.0000 -141.37268 -134.95289 6.41979 2.34582 -135.95094 742.40113
4445.0000 -140.94330 -135.84101 5.10229 2.33469 -136.11770 753.80790
4450.0000 -141.28488 -135.04536 6.23952 2.44173 -134.51389 801.18964
4455.0000 -141.31455 -136.43215 4.88241 2.35801 -135.76832 731.50775
4460.0000 -141.33004 -135.13505 6.19499 2.37118 -135.57097 755.47927
4465.0000 -139.63722 -133.57986 6.05736 2.40229 -135.10484 798.71563
4470.0000 -140.95220 -136.00452 4.94768 2.43099 -134.67480 776.18869
4475.0000 -141.89062 -135.77740 6.11323 2.34719 -135.93044 727.22240
4480.0000 -141.16974 -136.18210 4.98764 2.36629 -135.64419 745.63421
4485.0000 -140.73672 -135.55376 5.18296 2.35731 -135.77878 755.12249
4490.0000 -141.64426 -135.36875 6.27551 2.37637 -135.49320 792.60307
4495.0000 -141.27096 -135.55822 5.71273 2.34013 -136.03626 745.90865
4500.0000 -142.13027 -136.10615 6.02412 2.41700 -134.88444 778.14223
FREEZING PROCESS: loop number 19 T-loop= 714.00000000000000
main_MD> interactions number 19 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.36685 -1.18957 -0.60565
force_rgl> df(natom) -0.64956 2.44965 -1.06989
4505.0000 -142.18421 -136.69278 5.49143 2.36398 -135.67881 762.69997
4510.0000 -141.46166 -135.16086 6.30081 2.33495 -136.11386 728.41809
4515.0000 -142.37855 -136.28906 6.08949 2.36995 -135.58935 729.49403
4520.0000 -140.78854 -136.83727 3.95126 2.27519 -137.00923 649.81313
4525.0000 -141.45957 -135.99992 5.45964 2.31603 -136.39731 703.64764
4530.0000 -141.29232 -135.50047 5.79185 2.35768 -135.77320 732.36187
4535.0000 -142.24240 -137.60701 4.63539 2.31996 -136.33845 712.45977
4540.0000 -141.70330 -136.02186 5.68144 2.31760 -136.37380 721.35994
4545.0000 -140.15511 -134.91596 5.23915 2.39464 -135.21950 764.07924
4550.0000 -140.92683 -135.79510 5.13173 2.38842 -135.31269 740.75966
4555.0000 -142.27016 -136.86609 5.40407 2.31774 -136.37170 691.24421
4560.0000 -141.51207 -137.53345 3.97862 2.25796 -137.26747 650.03124
4565.0000 -141.49846 -136.21267 5.28579 2.27838 -136.96148 663.07939
4570.0000 -141.45426 -135.62847 5.82579 2.34272 -135.99746 736.55241
4575.0000 -140.48119 -134.89496 5.58623 2.34833 -135.91329 701.95446
4580.0000 -140.69822 -134.93113 5.76709 2.40916 -135.00188 759.98376
4585.0000 -140.56781 -135.71234 4.85547 2.35818 -135.76574 738.53850
4590.0000 -140.58020 -135.31101 5.26919 2.36566 -135.65365 748.32680
4595.0000 -142.24624 -137.85539 4.39085 2.28817 -136.81472 697.52856
4600.0000 -141.25268 -136.48718 4.76550 2.26905 -137.10130 663.87879
4605.0000 -140.96992 -136.25280 4.71712 2.36314 -135.69151 737.33287
4610.0000 -139.50595 -133.51523 5.99072 2.38957 -135.29541 749.82481
4615.0000 -138.65389 -133.92642 4.72747 2.52181 -133.31402 799.12473
4620.0000 -141.56199 -134.96405 6.59795 2.43786 -134.57182 809.17667
4625.0000 -141.81603 -135.87056 5.94547 2.44223 -134.50637 786.70905
4630.0000 -141.68365 -136.40231 5.28135 2.34268 -135.99809 729.96813
4635.0000 -141.50065 -136.31112 5.18954 2.32438 -136.27226 698.59284
4640.0000 -142.30877 -135.85760 6.45117 2.33165 -136.16327 728.06704
4645.0000 -140.90355 -135.73987 5.16368 2.32731 -136.22834 733.27388
4650.0000 -141.64525 -136.09215 5.55310 2.36630 -135.64408 742.64951
4655.0000 -141.64359 -136.32823 5.31536 2.34224 -136.00467 720.65940
4660.0000 -142.04296 -137.63922 4.40374 2.31478 -136.41604 679.69667
4665.0000 -142.47740 -137.62013 4.85727 2.24705 -137.43091 669.09287
4670.0000 -142.75387 -137.01661 5.73727 2.24637 -137.44113 671.10897
4675.0000 -141.65471 -136.63367 5.02104 2.27675 -136.98596 689.37884
4680.0000 -141.72895 -136.66663 5.06232 2.30627 -136.54350 681.31715
4685.0000 -139.90181 -134.16772 5.73409 2.38999 -135.28909 740.18239
4690.0000 -140.82985 -135.05862 5.77123 2.41704 -134.88387 777.33987
4695.0000 -140.59438 -135.13906 5.45532 2.39770 -135.17355 743.99037
4700.0000 -142.07303 -136.60616 5.46686 2.32783 -136.22048 711.82939
4705.0000 -142.33353 -137.32021 5.01332 2.29488 -136.71417 696.87064
4710.0000 -140.71369 -135.27112 5.44258 2.30527 -136.55853 696.01404
4715.0000 -140.30037 -134.40272 5.89765 2.40279 -135.09735 782.66351
4720.0000 -139.82021 -134.36291 5.45731 2.45633 -134.29508 790.40290
4725.0000 -140.87096 -134.80501 6.06595 2.45132 -134.37023 805.44291
4730.0000 -141.98391 -135.23735 6.74656 2.38237 -135.40336 758.65842
4735.0000 -141.65571 -135.35820 6.29751 2.40188 -135.11098 796.07309
4740.0000 -142.08861 -137.52126 4.56735 2.32975 -136.19176 739.91686
4745.0000 -141.87797 -135.91948 5.95850 2.30877 -136.50610 730.49641
4750.0000 -141.87203 -137.68440 4.18764 2.28754 -136.82423 703.80053
FREEZING PROCESS: loop number 20 T-loop= 689.00000000000000
main_MD> interactions number 20 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26589 -2.80559 2.59761
force_rgl> df(natom) -4.15545 -1.95888 -4.14685
4755.0000 -143.32100 -138.28288 5.03812 2.23440 -137.62048 660.76863
4760.0000 -143.14008 -137.99554 5.14454 2.19218 -138.25305 591.15345
4765.0000 -142.23339 -137.34852 4.88487 2.24014 -137.53441 658.37251
4770.0000 -142.03557 -136.56332 5.47225 2.34739 -135.92741 698.09291
4775.0000 -141.79964 -137.05504 4.74460 2.32532 -136.25807 728.23490
4780.0000 -141.16044 -135.70937 5.45107 2.31586 -136.39989 706.60906
4785.0000 -140.62592 -135.69315 4.93277 2.31755 -136.37452 705.33554
4790.0000 -141.59373 -136.64702 4.94671 2.36554 -135.65550 730.40754
4795.0000 -142.92342 -138.10030 4.82312 2.25928 -137.24764 675.15689
4800.0000 -143.67967 -138.97531 4.70436 2.18521 -138.35750 627.64803
4805.0000 -142.73950 -137.09465 5.64486 2.18392 -138.37690 619.75301
4810.0000 -142.52431 -137.54694 4.97736 2.30089 -136.62412 700.51706
4815.0000 -143.19883 -138.02406 5.17477 2.20777 -138.01941 620.65091
4820.0000 -142.95077 -138.72729 4.22348 2.19558 -138.20210 620.71945
4825.0000 -142.76745 -137.78734 4.98010 2.23643 -137.59008 643.60037
4830.0000 -143.33320 -138.23402 5.09919 2.21019 -137.98318 649.03105
4835.0000 -142.54557 -137.48270 5.06287 2.18693 -138.33178 632.85452
4840.0000 -142.54447 -138.52259 4.02188 2.22595 -137.74703 647.44651
4845.0000 -141.58947 -136.74692 4.84255 2.20319 -138.08809 623.80388
4850.0000 -140.29426 -135.56087 4.73339 2.30762 -136.52333 689.83978
4855.0000 -141.88103 -135.70780 6.17323 2.38425 -135.37517 777.50481
4860.0000 -142.19331 -137.40951 4.78380 2.31079 -136.47585 676.86262
4865.0000 -141.50159 -136.43249 5.06910 2.27909 -136.95089 716.37743
4870.0000 -141.84393 -136.98898 4.85494 2.31036 -136.48228 709.88009
4875.0000 -142.09247 -137.01417 5.07829 2.27166 -137.06210 668.02199
4880.0000 -142.08696 -136.56826 5.51870 2.31283 -136.44534 707.25421
4885.0000 -142.57390 -137.14614 5.42776 2.29966 -136.64254 682.19593
4890.0000 -141.39215 -137.53237 3.85978 2.24228 -137.50238 699.22036
4895.0000 -141.99066 -137.14478 4.84588 2.24402 -137.47628 662.10904
4900.0000 -142.40897 -137.28792 5.12106 2.25310 -137.34030 671.09499
4905.0000 -141.99950 -137.15860 4.84090 2.24191 -137.50798 679.80043
4910.0000 -142.38378 -137.12677 5.25700 2.25590 -137.29828 655.52226
4915.0000 -141.90726 -135.55741 6.34986 2.29741 -136.67635 698.72375
4920.0000 -142.50208 -136.40980 6.09228 2.30035 -136.63235 722.89313
4925.0000 -142.10811 -136.47625 5.63186 2.27475 -137.01583 684.62053
4930.0000 -141.44285 -136.74091 4.70194 2.29658 -136.68869 695.41362
4935.0000 -143.04631 -137.94415 5.10216 2.24380 -137.47965 663.90911
4940.0000 -142.72973 -137.56642 5.16331 2.25821 -137.26373 652.29936
4945.0000 -141.67218 -137.14168 4.53050 2.25901 -137.25166 661.50929
4950.0000 -142.36170 -137.22118 5.14052 2.28348 -136.88501 661.52956
4955.0000 -142.76626 -138.44796 4.31830 2.22213 -137.80429 641.66952
4960.0000 -143.00970 -139.13581 3.87389 2.17205 -138.55470 594.68987
4965.0000 -142.10793 -137.33203 4.77590 2.20528 -138.05671 628.38604
4970.0000 -142.55419 -136.67031 5.88388 2.29524 -136.70879 704.09427
4975.0000 -142.53130 -136.90858 5.62272 2.29436 -136.72196 691.31672
4980.0000 -141.48542 -136.41484 5.07057 2.33589 -136.09973 711.84156
4985.0000 -140.60163 -134.76073 5.84089 2.34798 -135.91858 727.50483
4990.0000 -141.98590 -136.13886 5.84704 2.38703 -135.33352 762.34434
4995.0000 -142.19618 -136.59854 5.59763 2.27852 -136.95938 684.56875
5000.0000 -142.21843 -137.23289 4.98554 2.19090 -138.27222 630.25652
FREEZING PROCESS: loop number 21 T-loop= 664.00000000000000
main_MD> interactions number 21 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26300 -1.89683 -1.45031
force_rgl> df(natom) 0.94562 -5.24824 -1.61798
5005.0000 -141.04600 -135.00682 6.03918 2.30263 -136.59805 686.40557
5010.0000 -139.97660 -134.64313 5.33347 2.43423 -134.62625 788.14591
5015.0000 -142.72595 -137.09491 5.63104 2.30548 -136.55545 696.64788
5020.0000 -140.95099 -135.76219 5.18880 2.30678 -136.53599 711.73900
5025.0000 -141.16394 -136.30944 4.85450 2.36141 -135.71743 735.46842
5030.0000 -141.96137 -136.58991 5.37146 2.27563 -137.00269 673.00971
5035.0000 -141.72202 -135.46385 6.25817 2.34055 -136.02999 729.59873
5040.0000 -141.83070 -136.21327 5.61743 2.35292 -135.84459 728.86040
5045.0000 -141.52910 -137.31309 4.21601 2.30648 -136.54038 695.74419
5050.0000 -141.77977 -136.06222 5.71756 2.29948 -136.64536 698.96460
5055.0000 -140.59662 -135.38448 5.21214 2.36904 -135.60298 761.95439
5060.0000 -141.30637 -137.11537 4.19100 2.31280 -136.44577 672.86888
5065.0000 -142.39417 -137.42076 4.97341 2.30569 -136.55219 699.11461
5070.0000 -142.84236 -138.09729 4.74507 2.24628 -137.44244 645.61416
5075.0000 -143.54207 -138.18435 5.35772 2.24001 -137.53634 659.44764
5080.0000 -142.17257 -137.53523 4.63734 2.20954 -137.99298 629.00580
5085.0000 -142.14740 -137.45732 4.69008 2.23076 -137.67492 659.89647
5090.0000 -142.29970 -137.92055 4.37916 2.22063 -137.82675 644.63610
5095.0000 -143.19350 -138.00438 5.18913 2.23272 -137.64558 664.06478
5100.0000 -141.63412 -137.23258 4.40153 2.24007 -137.53552 655.83011
5105.0000 -142.10688 -137.09716 5.00972 2.27114 -137.06996 663.96609
5110.0000 -142.64103 -138.09357 4.54746 2.22034 -137.83118 609.03030
5115.0000 -142.77542 -138.74546 4.02996 2.16155 -138.71205 585.23751
5120.0000 -141.61293 -137.32808 4.28484 2.20883 -138.00362 628.33692
5125.0000 -142.15162 -137.40498 4.74664 2.25381 -137.32963 678.63679
5130.0000 -142.17050 -136.97526 5.19523 2.27453 -137.01911 676.51388
5135.0000 -142.09067 -136.86320 5.22747 2.27972 -136.94132 682.25176
5140.0000 -141.42903 -137.11246 4.31656 2.28788 -136.81908 676.30677
5145.0000 -141.65839 -136.27112 5.38727 2.28731 -136.82769 651.62463
5150.0000 -141.82565 -136.71206 5.11360 2.29846 -136.66067 685.20574
5155.0000 -141.72441 -136.62104 5.10338 2.28912 -136.80055 683.05636
5160.0000 -141.63615 -136.75319 4.88297 2.29599 -136.69755 691.02247
5165.0000 -142.15460 -136.87770 5.27691 2.28063 -136.92769 664.63277
5170.0000 -142.42855 -137.82253 4.60602 2.27487 -137.01410 674.79637
5175.0000 -142.44756 -137.53003 4.91753 2.25037 -137.38114 662.36642
5180.0000 -142.42570 -137.18065 5.24506 2.27395 -137.02782 703.79866
5185.0000 -143.10828 -138.40014 4.70814 2.20606 -138.04514 655.69663
5190.0000 -142.69228 -137.25414 5.43813 2.23892 -137.55273 635.21026
5195.0000 -141.53926 -136.24868 5.29058 2.31442 -136.42147 683.65459
5200.0000 -140.50288 -135.60635 4.89653 2.31206 -136.45677 672.67200
5205.0000 -141.14055 -135.99807 5.14248 2.38980 -135.29195 766.24297
5210.0000 -141.95775 -137.22378 4.73397 2.32948 -136.19574 703.41021
5215.0000 -141.98852 -137.94473 4.04378 2.24494 -137.46252 668.27186
5220.0000 -141.93838 -137.03441 4.90397 2.25404 -137.32618 669.89982
5225.0000 -141.41380 -136.35317 5.06063 2.30299 -136.59274 688.62259
5230.0000 -142.04536 -136.03780 6.00756 2.35684 -135.78590 754.92430
5235.0000 -141.87944 -136.70371 5.17573 2.30765 -136.52285 693.73184
5240.0000 -143.37984 -138.66850 4.71135 2.23218 -137.65365 668.67989
5245.0000 -143.89088 -139.34762 4.54326 2.14495 -138.96069 611.98796
5250.0000 -143.91648 -139.95143 3.96505 2.11192 -139.45561 564.33014
FREEZING PROCESS: loop number 22 T-loop= 639.00000000000000
main_MD> interactions number 22 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25728 0.24150 -0.00883
force_rgl> df(natom) 1.14496 0.82543 -2.62953
5255.0000 -143.63136 -139.01648 4.61488 2.09454 -139.71609 533.75199
5260.0000 -142.79755 -137.63889 5.15865 2.22095 -137.82201 637.00907
5265.0000 -142.74120 -138.20272 4.53848 2.20711 -138.02941 635.35257
5270.0000 -142.16391 -136.51623 5.64768 2.23337 -137.63582 654.72682
5275.0000 -143.18243 -137.85861 5.32383 2.24248 -137.49940 642.01273
5280.0000 -142.48304 -137.25609 5.22695 2.22390 -137.77771 653.36474
5285.0000 -143.33604 -139.62505 3.71099 2.16368 -138.68012 594.00378
5290.0000 -143.81257 -139.65404 4.15853 2.09119 -139.76626 545.75325
5295.0000 -144.25921 -139.99985 4.25936 2.11700 -139.37955 558.37658
5300.0000 -143.99803 -140.57084 3.42720 2.04420 -140.47038 524.58992
5305.0000 -142.77747 -138.51161 4.26586 2.12629 -139.24027 602.93992
5310.0000 -142.23654 -136.47279 5.76375 2.25394 -137.32772 687.13968
5315.0000 -142.77017 -138.38268 4.38749 2.24134 -137.51646 691.10897
5320.0000 -143.41678 -139.41902 3.99776 2.13911 -139.04827 604.75688
5325.0000 -145.18491 -140.39451 4.79040 2.13101 -139.16954 608.83529
5330.0000 -143.72159 -138.89173 4.82985 2.09288 -139.74101 615.48242
5335.0000 -143.93559 -139.11509 4.82050 2.13938 -139.04424 602.88863
5340.0000 -143.69206 -139.16465 4.52741 2.15194 -138.85598 630.40937
5345.0000 -143.26215 -138.03541 5.22675 2.16995 -138.58608 652.59621
5350.0000 -142.99390 -137.60241 5.39149 2.23621 -137.59333 675.52361
5355.0000 -142.85102 -138.35283 4.49819 2.19705 -138.18011 629.66505
5360.0000 -143.48959 -139.53924 3.95036 2.12210 -139.30318 567.78132
5365.0000 -142.73662 -138.14514 4.59148 2.18545 -138.35388 605.64976
5370.0000 -142.38447 -138.25615 4.12832 2.19001 -138.28563 629.69359
5375.0000 -141.06379 -136.59653 4.46726 2.24970 -137.39114 643.42457
5380.0000 -141.97920 -137.51599 4.46321 2.27285 -137.04439 661.27172
5385.0000 -141.78471 -135.97783 5.80688 2.25548 -137.30455 652.97777
5390.0000 -142.14760 -137.17459 4.97301 2.28231 -136.90256 663.87020
5395.0000 -141.91996 -136.65432 5.26564 2.28352 -136.88449 689.94444
5400.0000 -141.88981 -136.96857 4.92124 2.27098 -137.07236 659.23330
5405.0000 -142.13959 -137.02186 5.11773 2.28097 -136.92259 681.05062
5410.0000 -142.15142 -137.45905 4.69237 2.26813 -137.11499 659.45974
5415.0000 -142.76859 -137.66490 5.10369 2.24793 -137.41775 672.49675
5420.0000 -143.15979 -137.35333 5.80645 2.25792 -137.26797 659.91721
5425.0000 -142.77290 -137.45994 5.31295 2.26086 -137.22401 675.54083
5430.0000 -143.06477 -138.43924 4.62554 2.21364 -137.93151 634.90644
5435.0000 -144.00388 -138.45120 5.55268 2.15995 -138.73605 590.18648
5440.0000 -143.68601 -138.83821 4.84780 2.17909 -138.44923 620.65605
5445.0000 -143.55235 -138.82079 4.73156 2.17260 -138.54651 589.15343
5450.0000 -142.47361 -138.28587 4.18774 2.17848 -138.45830 600.62881
5455.0000 -141.81517 -137.64076 4.17441 2.20523 -138.05759 601.69180
5460.0000 -143.73764 -138.31916 5.41848 2.22661 -137.73715 647.83603
5465.0000 -143.17462 -138.35413 4.82049 2.17539 -138.50464 607.43533
5470.0000 -141.90127 -136.93514 4.96612 2.22741 -137.72519 639.00421
5475.0000 -142.58571 -138.19042 4.39529 2.24297 -137.49202 651.88697
5480.0000 -143.23420 -138.20187 5.03233 2.17776 -138.46918 624.69038
5485.0000 -142.87601 -138.34240 4.53361 2.20644 -138.03945 626.41417
5490.0000 -142.71630 -137.82379 4.89252 2.17362 -138.53109 600.43855
5495.0000 -142.98274 -138.36475 4.61799 2.22651 -137.73871 648.51828
5500.0000 -142.35162 -138.09990 4.25173 2.21429 -137.92179 645.32380
FREEZING PROCESS: loop number 23 T-loop= 614.00000000000000
main_MD> interactions number 23 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54688 0.42504 3.51200
force_rgl> df(natom) 0.35322 1.46716 -0.56951
5505.0000 -141.84365 -136.85227 4.99138 2.25930 -137.24732 654.28894
5510.0000 -143.36620 -137.78261 5.58359 2.23712 -137.57970 635.29973
5515.0000 -142.79235 -138.04811 4.74424 2.21133 -137.96620 618.35136
5520.0000 -142.48424 -137.84840 4.63584 2.22008 -137.83505 632.00873
5525.0000 -143.12145 -138.47412 4.64732 2.18776 -138.31936 606.62186
5530.0000 -143.35445 -138.51385 4.84060 2.16974 -138.58934 595.66579
5535.0000 -141.98773 -137.33786 4.64987 2.24039 -137.53071 659.61866
5540.0000 -142.34413 -137.50702 4.83711 2.25239 -137.35092 634.88430
5545.0000 -143.31225 -138.00691 5.30534 2.24753 -137.42364 644.32720
5550.0000 -142.52256 -138.80200 3.72055 2.18245 -138.39886 598.31083
5555.0000 -143.52889 -138.37873 5.15016 2.15333 -138.83524 576.79928
5560.0000 -142.19047 -136.74269 5.44778 2.22793 -137.71737 655.61667
5565.0000 -141.17238 -136.48272 4.68965 2.33766 -136.07330 700.31619
5570.0000 -141.81317 -137.21227 4.60091 2.29541 -136.70632 684.03396
5575.0000 -141.41469 -137.22645 4.18824 2.26592 -137.14820 668.29395
5580.0000 -142.45246 -137.83170 4.62076 2.22995 -137.68717 629.48849
5585.0000 -143.47150 -137.81185 5.65964 2.22862 -137.70712 661.55137
5590.0000 -143.82219 -138.30239 5.51980 2.18202 -138.40537 617.92547
5595.0000 -143.88002 -139.23040 4.64962 2.14221 -139.00185 599.96522
5600.0000 -142.77714 -137.98192 4.79522 2.14860 -138.90602 616.64291
5605.0000 -143.55099 -138.37248 5.17850 2.18098 -138.42088 639.57876
5610.0000 -143.64933 -139.13231 4.51703 2.19103 -138.27029 650.40810
5615.0000 -142.34940 -138.18112 4.16828 2.15420 -138.82218 591.38876
5620.0000 -143.01251 -138.28427 4.72824 2.22129 -137.81684 637.65265
5625.0000 -143.20522 -138.40159 4.80363 2.18143 -138.41412 617.04846
5630.0000 -143.77997 -139.47948 4.30049 2.14240 -138.99889 566.46920
5635.0000 -141.59740 -137.39265 4.20476 2.17037 -138.57987 593.47903
5640.0000 -142.91141 -137.21976 5.69165 2.25298 -137.34205 677.55102
5645.0000 -142.86260 -137.34127 5.52132 2.24082 -137.52419 639.81668
5650.0000 -143.05420 -137.70165 5.35255 2.22720 -137.72833 640.03391
5655.0000 -142.56202 -138.13775 4.42428 2.19302 -138.24042 618.95259
5660.0000 -143.01988 -138.41441 4.60547 2.19075 -138.27447 602.17478
5665.0000 -142.66495 -138.42561 4.23934 2.18845 -138.30894 610.21832
5670.0000 -142.25361 -136.87214 5.38147 2.22171 -137.81067 630.70173
5675.0000 -143.47383 -138.44454 5.02929 2.22062 -137.82691 620.52042
5680.0000 -142.57733 -138.73534 3.84199 2.15658 -138.78644 584.55157
5685.0000 -144.65654 -139.76162 4.89492 2.09674 -139.68318 544.32505
5690.0000 -144.18801 -139.63502 4.55299 2.07339 -140.03302 529.82086
5695.0000 -143.41965 -139.26014 4.15951 2.14411 -138.97326 583.52704
5700.0000 -142.22847 -137.71806 4.51041 2.18290 -138.39210 643.36455
5705.0000 -144.17009 -139.73931 4.43079 2.15908 -138.74899 619.90251
5710.0000 -145.11107 -140.83337 4.27769 2.03816 -140.56091 549.03855
5715.0000 -143.28752 -138.74544 4.54208 2.05730 -140.27412 561.83303
5720.0000 -143.48084 -139.20834 4.27251 2.16459 -138.66646 649.88135
5725.0000 -143.73405 -139.32193 4.41212 2.13829 -139.06055 619.19630
5730.0000 -142.24711 -136.89311 5.35400 2.20032 -138.13114 646.89835
5735.0000 -143.42262 -138.30104 5.12158 2.25231 -137.35214 668.59515
5740.0000 -142.98430 -138.74663 4.23766 2.19449 -138.21846 620.97677
5745.0000 -143.54584 -139.37874 4.16710 2.11139 -139.46366 547.69882
5750.0000 -142.94232 -138.23666 4.70566 2.15707 -138.77918 589.75550
FREEZING PROCESS: loop number 24 T-loop= 589.00000000000000
main_MD> interactions number 24 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89349 1.34491 -5.69002
force_rgl> df(natom) 0.66868 -0.27392 -1.62168
5755.0000 -142.88225 -138.57317 4.30908 2.18929 -138.29637 624.14498
5760.0000 -142.93986 -138.03329 4.90657 2.16600 -138.64535 610.82825
5765.0000 -142.42646 -137.41746 5.00900 2.21812 -137.86443 638.52956
5770.0000 -143.29962 -138.43119 4.86844 2.20041 -138.12978 614.79087
5775.0000 -143.91927 -139.21484 4.70443 2.12309 -139.28827 580.25031
5780.0000 -142.24630 -137.69421 4.55209 2.14832 -138.91021 592.82752
5785.0000 -143.19238 -138.76891 4.42346 2.19986 -138.13792 618.74851
5790.0000 -143.00184 -138.42999 4.57185 2.18744 -138.32408 622.72087
5795.0000 -142.31627 -138.15015 4.16613 2.19697 -138.18131 600.43499
5800.0000 -143.88325 -139.78053 4.10272 2.16990 -138.58694 609.36123
5805.0000 -143.88227 -140.08284 3.79943 2.08032 -139.92910 542.58844
5810.0000 -143.83213 -139.99205 3.84008 2.09529 -139.70486 561.29862
5815.0000 -144.20382 -140.44631 3.75751 2.06581 -140.14651 515.16960
5820.0000 -142.91556 -138.82490 4.09067 2.11677 -139.38297 562.13221
5825.0000 -144.35512 -139.96351 4.39161 2.13653 -139.08691 589.80397
5830.0000 -143.09233 -138.87029 4.22205 2.09280 -139.74208 567.04143
5835.0000 -144.19739 -139.67213 4.52526 2.13881 -139.05278 597.81196
5840.0000 -143.54975 -139.68238 3.86737 2.07900 -139.94899 542.88117
5845.0000 -143.93211 -139.86076 4.07135 2.07194 -140.05468 533.60752
5850.0000 -143.83462 -140.04447 3.79016 2.07347 -140.03182 545.42188
5855.0000 -143.64543 -139.23578 4.40965 2.07703 -139.97841 550.61804
5860.0000 -142.96133 -137.95361 5.00771 2.18580 -138.34870 628.33014
5865.0000 -143.46699 -139.14467 4.32232 2.16709 -138.62900 601.08294
5870.0000 -143.61450 -139.46449 4.15001 2.12532 -139.25487 560.80468
5875.0000 -144.06792 -139.42131 4.64660 2.13006 -139.18378 564.26411
5880.0000 -143.98693 -139.41355 4.57338 2.13827 -139.06086 599.83494
5885.0000 -143.21576 -139.63162 3.58414 2.09264 -139.74460 528.78722
5890.0000 -143.17370 -138.92491 4.24879 2.10307 -139.58819 541.13895
5895.0000 -143.51924 -139.01266 4.50659 2.14532 -138.95527 574.04114
5900.0000 -142.55301 -137.89523 4.65778 2.18685 -138.33292 614.97976
5905.0000 -142.64250 -137.68896 4.95354 2.23403 -137.62600 673.77033
5910.0000 -142.62566 -138.99400 3.63166 2.17805 -138.46483 603.54948
5915.0000 -143.40525 -139.29650 4.10875 2.15372 -138.82937 580.10346
5920.0000 -143.70642 -139.09947 4.60695 2.13128 -139.16555 582.41665
5925.0000 -143.71944 -139.79604 3.92340 2.08453 -139.86608 542.04751
5930.0000 -144.32252 -139.73105 4.59147 2.10352 -139.58159 554.94506
5935.0000 -143.82732 -139.30504 4.52229 2.10794 -139.51531 551.15786
5940.0000 -144.13488 -139.38127 4.75362 2.16108 -138.71909 611.51906
5945.0000 -143.43416 -139.09363 4.34052 2.13145 -139.16308 593.45782
5950.0000 -143.45998 -138.82885 4.63113 2.12470 -139.26409 589.55603
5955.0000 -141.95417 -136.89291 5.06127 2.20307 -138.08991 616.30856
5960.0000 -142.55293 -137.34175 5.21118 2.31471 -136.41708 709.28088
5965.0000 -142.32809 -138.33503 3.99306 2.22159 -137.81237 655.93801
5970.0000 -143.76780 -138.89294 4.87486 2.17965 -138.44087 629.52328
5975.0000 -143.08169 -137.79000 5.29169 2.18060 -138.42653 650.58882
5980.0000 -143.01205 -139.26834 3.74371 2.14865 -138.90525 599.35849
5985.0000 -142.91568 -139.07807 3.83761 2.12449 -139.26734 570.94733
5990.0000 -144.24732 -139.41364 4.83368 2.12277 -139.29308 585.99284
5995.0000 -143.37631 -139.21125 4.16506 2.09797 -139.66474 562.88562
6000.0000 -143.38302 -139.40942 3.97360 2.13028 -139.18058 576.11106
FREEZING PROCESS: loop number 25 T-loop= 564.00000000000000
main_MD> interactions number 25 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02746 0.67055 2.92242
force_rgl> df(natom) 1.25329 1.01516 1.18671
6005.0000 -141.26377 -137.23634 4.02743 2.16663 -138.63595 610.59631
6010.0000 -143.62794 -139.83320 3.79474 2.17781 -138.46837 624.35706
6015.0000 -144.02359 -140.14850 3.87508 2.09901 -139.64903 553.87980
6020.0000 -143.20885 -138.90576 4.30309 2.13369 -139.12940 562.63020
6025.0000 -142.69082 -139.11175 3.57908 2.16916 -138.59804 599.40796
6030.0000 -143.70357 -139.76198 3.94158 2.12071 -139.32402 565.90277
6035.0000 -144.36140 -140.45006 3.91134 2.05277 -140.34198 516.82281
6040.0000 -144.17535 -140.00444 4.17092 2.06417 -140.17112 515.48662
6045.0000 -143.92486 -139.14867 4.77619 2.09739 -139.67339 554.39244
6050.0000 -144.51839 -140.68625 3.83214 2.08408 -139.87287 545.28830
6055.0000 -143.89518 -140.18078 3.71441 2.05395 -140.32428 520.40665
6060.0000 -143.17535 -139.77804 3.39731 2.06041 -140.22746 517.10889
6065.0000 -143.32020 -139.00988 4.31032 2.09808 -139.66309 538.41721
6070.0000 -143.07634 -138.57816 4.49818 2.14049 -139.02751 580.57972
6075.0000 -143.47484 -139.23486 4.23998 2.16469 -138.66490 599.66906
6080.0000 -143.49454 -138.76729 4.72726 2.12373 -139.27867 576.75222
6085.0000 -143.87912 -139.47004 4.40909 2.17747 -138.47353 626.41041
6090.0000 -143.95346 -139.91829 4.03517 2.07616 -139.99142 546.05223
6095.0000 -142.07715 -137.73476 4.34239 2.15479 -138.81330 589.94499
6100.0000 -143.85786 -138.15036 5.70750 2.17940 -138.44448 608.96197
6105.0000 -144.30907 -139.83448 4.47459 2.14048 -139.02775 609.76190
6110.0000 -143.58066 -139.80963 3.77103 2.12183 -139.30710 566.12785
6115.0000 -144.14956 -140.36429 3.78527 2.09210 -139.75264 519.36357
6120.0000 -143.62213 -139.21207 4.41006 2.09042 -139.77780 557.08852
6125.0000 -144.07897 -140.06494 4.01403 2.10265 -139.59454 594.30503
6130.0000 -144.58606 -139.45458 5.13147 2.05534 -140.30342 566.25208
6135.0000 -143.26681 -139.55674 3.71007 2.09113 -139.76713 583.62210
6140.0000 -143.85891 -139.49054 4.36837 2.13204 -139.15413 589.15341
6145.0000 -143.74794 -140.01071 3.73723 2.06533 -140.15373 523.73574
6150.0000 -144.53309 -140.36825 4.16484 2.07172 -140.05798 553.38400
6155.0000 -143.61856 -139.34712 4.27144 2.09352 -139.73141 552.50161
6160.0000 -143.54760 -139.57833 3.96926 2.14493 -138.96099 575.18940
6165.0000 -144.10979 -139.24598 4.86381 2.07804 -139.96330 541.89142
6170.0000 -143.55665 -139.13589 4.42076 2.12003 -139.33410 581.03990
6175.0000 -144.10505 -139.45588 4.64916 2.09193 -139.75525 561.21177
6180.0000 -144.25330 -139.80225 4.45105 2.08076 -139.92255 566.21473
6185.0000 -143.48389 -139.12021 4.36368 2.14594 -138.94598 613.54396
6190.0000 -143.61272 -139.16762 4.44510 2.16452 -138.66752 609.58982
6195.0000 -143.45990 -139.75023 3.70968 2.12031 -139.32997 559.21246
6200.0000 -143.93311 -139.72545 4.20766 2.09577 -139.69764 533.41737
6205.0000 -144.49649 -140.20103 4.29546 2.06946 -140.09191 532.68660
6210.0000 -144.46199 -140.12722 4.33477 2.06428 -140.16945 532.13466
6215.0000 -143.77609 -139.21224 4.56384 2.10995 -139.48516 569.23204
6220.0000 -143.44634 -139.75197 3.69437 2.09209 -139.75273 539.09069
6225.0000 -143.28006 -139.09281 4.18725 2.13502 -139.10946 605.26803
6230.0000 -143.11790 -138.14910 4.96880 2.17860 -138.45657 621.11566
6235.0000 -143.85985 -138.95925 4.90060 2.13888 -139.05176 595.09043
6240.0000 -143.17117 -138.47705 4.69412 2.14776 -138.91858 589.62393
6245.0000 -143.25861 -138.91584 4.34277 2.13823 -139.06149 577.86130
6250.0000 -143.75295 -139.54534 4.20760 2.11404 -139.42390 571.49638
FREEZING PROCESS: loop number 26 T-loop= 539.00000000000000
main_MD> interactions number 26 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39196 -0.51285 0.03635
force_rgl> df(natom) 2.93567 1.23666 1.01904
6255.0000 -144.11794 -140.32091 3.79703 2.06259 -140.19482 509.26496
6260.0000 -143.69418 -139.59881 4.09536 2.10411 -139.57265 559.52020
6265.0000 -144.89425 -140.68313 4.21111 2.05085 -140.37066 515.68345
6270.0000 -144.13539 -140.03155 4.10383 2.05830 -140.25909 540.65256
6275.0000 -144.57449 -140.20367 4.37083 2.08315 -139.88667 534.86685
6280.0000 -144.82384 -141.52635 3.29749 2.00724 -141.02415 481.78779
6285.0000 -144.12437 -141.09399 3.03039 2.00650 -141.03529 471.72432
6290.0000 -143.64269 -139.92633 3.71636 2.05831 -140.25895 492.63130
6295.0000 -143.15808 -138.94012 4.21796 2.07193 -140.05483 516.85574
6300.0000 -143.71560 -139.94407 3.77153 2.11715 -139.37730 564.38764
6305.0000 -143.97499 -139.61678 4.35820 2.10223 -139.60085 559.47332
6310.0000 -144.17453 -140.10871 4.06582 2.05712 -140.27678 536.82464
6315.0000 -144.59245 -140.34792 4.24453 2.05224 -140.34990 526.60336
6320.0000 -144.44086 -139.60658 4.83428 2.07234 -140.04865 557.81482
6325.0000 -142.99686 -139.09101 3.90585 2.08207 -139.90290 566.43609
6330.0000 -143.66268 -139.94626 3.71641 2.12674 -139.23363 580.98252
6335.0000 -143.64897 -140.11057 3.53840 2.09816 -139.66189 543.13727
6340.0000 -143.62437 -139.59984 4.02453 2.09356 -139.73073 531.65264
6345.0000 -144.00345 -139.65610 4.34735 2.07958 -139.94021 544.67927
6350.0000 -143.82383 -139.92863 3.89520 2.08910 -139.79759 528.79013
6355.0000 -144.31974 -140.37198 3.94776 2.05295 -140.33930 505.56114
6360.0000 -143.95401 -140.20792 3.74609 2.05696 -140.27918 510.58378
6365.0000 -144.91744 -140.50510 4.41234 2.06134 -140.21350 531.40659
6370.0000 -143.10064 -139.41851 3.68213 2.10424 -139.57068 546.60358
6375.0000 -143.39709 -140.17612 3.22097 2.10178 -139.60756 532.73259
6380.0000 -143.04584 -138.79218 4.25366 2.12526 -139.25570 558.26104
6385.0000 -143.60574 -139.54072 4.06501 2.14963 -138.89067 573.08732
6390.0000 -143.23150 -139.35468 3.87682 2.13424 -139.12120 540.55757
6395.0000 -144.03984 -139.63204 4.40780 2.12313 -139.28762 550.53139
6400.0000 -144.71310 -141.01537 3.69774 2.03867 -140.55317 517.58056
6405.0000 -144.73028 -141.11791 3.61236 2.00654 -141.03459 514.31617
6410.0000 -145.83901 -142.06565 3.77336 1.99194 -141.25343 503.98442
6415.0000 -144.01740 -140.37039 3.64701 2.01267 -140.94285 514.34769
6420.0000 -143.43946 -139.29972 4.13973 2.08043 -139.92745 553.55714
6425.0000 -144.65392 -140.80339 3.85054 2.06139 -140.21272 547.21367
6430.0000 -143.98643 -140.07659 3.90984 2.05496 -140.30914 519.88025
6435.0000 -144.14037 -140.35888 3.78149 2.07300 -140.03885 534.99432
6440.0000 -144.13327 -140.80766 3.32561 2.00874 -141.00174 491.54711
6445.0000 -143.75900 -139.52986 4.22914 2.06855 -140.10543 526.01465
6450.0000 -144.16883 -140.57693 3.59190 2.06955 -140.09047 512.08383
6455.0000 -143.90647 -140.09102 3.81545 2.05015 -140.38119 505.67546
6460.0000 -143.57714 -139.56486 4.01227 2.07356 -140.03047 524.79390
6465.0000 -143.95719 -139.14524 4.81195 2.12818 -139.21206 568.41616
6470.0000 -144.10439 -140.77288 3.33151 2.07416 -140.02141 541.62141
6475.0000 -143.62272 -139.75489 3.86783 2.01467 -140.91278 497.34667
6480.0000 -143.58482 -139.12697 4.45785 2.09976 -139.63787 524.06484
6485.0000 -143.68995 -140.01309 3.67686 2.09389 -139.72587 543.81060
6490.0000 -144.04910 -139.04464 5.00447 2.08210 -139.90247 507.86019
6495.0000 -143.84024 -139.01377 4.82647 2.13339 -139.13394 577.55828
6500.0000 -143.14588 -138.16350 4.98237 2.17197 -138.55590 611.81105
FREEZING PROCESS: loop number 27 T-loop= 514.00000000000000
main_MD> interactions number 27 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21559 1.47118 1.18015
force_rgl> df(natom) -2.04147 0.51156 -0.92118
6505.0000 -143.46555 -140.22307 3.24248 2.11264 -139.44481 555.10602
6510.0000 -144.18590 -141.45880 2.72710 2.04400 -140.47336 517.50754
6515.0000 -143.49123 -139.83376 3.65746 2.03515 -140.60598 516.08078
6520.0000 -143.79809 -140.58228 3.21581 2.08585 -139.84628 559.68726
6525.0000 -144.39916 -141.05368 3.34549 2.03441 -140.61708 527.17357
6530.0000 -143.95213 -139.77998 4.17215 2.03024 -140.67956 516.63182
6535.0000 -143.83872 -140.23430 3.60442 2.07831 -139.95919 551.40751
6540.0000 -143.08507 -139.14663 3.93844 2.07440 -140.01786 524.46215
6545.0000 -144.51091 -140.44770 4.06321 2.08921 -139.79596 557.96296
6550.0000 -144.73468 -140.38118 4.35349 2.03803 -140.56281 514.38028
6555.0000 -144.06667 -140.17216 3.89451 2.06136 -140.21327 523.24949
6560.0000 -143.98185 -140.24200 3.73985 2.03935 -140.54295 504.42848
6565.0000 -144.85720 -140.78440 4.07280 2.04321 -140.48519 520.52631
6570.0000 -144.80345 -141.65443 3.14902 1.99281 -141.24034 475.57063
6575.0000 -144.35434 -141.26163 3.09270 1.96751 -141.61944 446.13752
6580.0000 -144.79170 -140.71615 4.07555 2.03909 -140.54690 517.40442
6585.0000 -145.21954 -141.91862 3.30092 1.96957 -141.58854 489.02699
6590.0000 -145.42630 -141.55403 3.87227 1.93950 -142.03921 462.21454
6595.0000 -145.21933 -141.02116 4.19817 1.95333 -141.83192 475.02339
6600.0000 -145.30122 -141.32549 3.97573 2.02820 -140.71011 536.87606
6605.0000 -144.83217 -141.60928 3.22289 1.98576 -141.34601 512.85452
6610.0000 -145.06412 -141.01133 4.05279 1.96992 -141.58332 490.83920
6615.0000 -144.64541 -140.76058 3.88482 2.03188 -140.65494 524.21899
6620.0000 -144.52516 -141.18716 3.33800 2.00975 -140.98660 518.94644
6625.0000 -144.72025 -140.23270 4.48755 2.05324 -140.33492 547.49739
6630.0000 -144.77267 -140.79547 3.97720 2.05131 -140.36381 563.79233
6635.0000 -144.78361 -140.69329 4.09031 2.03551 -140.60057 546.57912
6640.0000 -145.39215 -141.30136 4.09079 2.03095 -140.66890 537.72528
6645.0000 -144.58970 -140.73676 3.85295 2.00048 -141.12548 518.85908
6650.0000 -144.54858 -141.66165 2.88692 2.01416 -140.92045 532.55450
6655.0000 -143.75136 -140.40212 3.34924 2.03002 -140.68278 506.57904
6660.0000 -144.16481 -139.23148 4.93333 2.06150 -140.21117 526.93478
6665.0000 -143.08250 -139.42862 3.65388 2.13419 -139.12204 563.27770
6670.0000 -144.36722 -139.72408 4.64314 2.09172 -139.75832 542.25628
6675.0000 -144.29444 -140.30881 3.98563 2.05859 -140.25476 514.75025
6680.0000 -144.22976 -140.24098 3.98878 2.04226 -140.49946 489.58883
6685.0000 -145.36359 -140.65168 4.71191 2.02543 -140.75163 507.06862
6690.0000 -145.06001 -141.11646 3.94356 2.02584 -140.74548 537.18562
6695.0000 -144.97488 -140.51046 4.46442 1.99432 -141.21778 523.57882
6700.0000 -145.48096 -141.06510 4.41586 2.03063 -140.67370 542.90751
6705.0000 -144.85535 -140.40070 4.45465 2.01262 -140.94346 510.24805
6710.0000 -144.65687 -141.11112 3.54576 2.01877 -140.85138 512.29007
6715.0000 -144.47831 -141.19858 3.27973 1.99690 -141.17904 514.16943
6720.0000 -144.97380 -140.98663 3.98717 2.00916 -140.99541 493.31704
6725.0000 -144.67987 -140.57144 4.10843 2.01982 -140.83564 526.16277
6730.0000 -144.83690 -141.23390 3.60300 2.01620 -140.88990 522.59119
6735.0000 -144.80388 -141.25239 3.55150 2.02453 -140.76509 540.86174
6740.0000 -144.86676 -141.58827 3.27850 1.97690 -141.47877 486.49597
6745.0000 -145.26752 -141.85808 3.40944 1.96653 -141.63417 487.10051
6750.0000 -144.97334 -141.17353 3.79981 1.99470 -141.21202 499.50863
FREEZING PROCESS: loop number 28 T-loop= 489.00000000000000
main_MD> interactions number 28 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40628 1.15055 0.32651
force_rgl> df(natom) -2.01804 -0.59923 -0.17471
6755.0000 -144.82929 -140.91705 3.91224 2.00412 -141.07086 487.15902
6760.0000 -144.59409 -140.01156 4.58253 2.05516 -140.30620 557.85796
6765.0000 -145.34234 -141.50340 3.83893 2.01222 -140.94958 526.61391
6770.0000 -145.24670 -141.68869 3.55801 1.94481 -141.95957 469.07893
6775.0000 -144.78981 -141.30522 3.48459 1.97470 -141.51178 485.22003
6780.0000 -144.77493 -141.35096 3.42397 1.97197 -141.55258 500.34451
6785.0000 -145.44916 -141.47617 3.97298 2.00541 -141.05150 519.11969
6790.0000 -145.04742 -141.62295 3.42447 1.97125 -141.56346 505.23870
6795.0000 -145.69521 -141.60232 4.09290 1.97720 -141.47419 514.21607
6800.0000 -146.09667 -142.62838 3.46829 1.92523 -142.25299 478.02482
6805.0000 -145.07544 -142.02936 3.04608 1.92181 -142.30421 482.88680
6810.0000 -145.20322 -141.70449 3.49873 1.96738 -141.62141 512.98566
6815.0000 -146.16179 -142.37374 3.78805 1.95735 -141.77162 499.42001
6820.0000 -145.83267 -142.56444 3.26823 1.90560 -142.54711 458.11824
6825.0000 -146.18425 -143.11951 3.06474 1.92191 -142.30273 478.16002
6830.0000 -146.00637 -142.56122 3.44515 1.88836 -142.80539 443.45109
6835.0000 -145.54098 -141.84196 3.69902 1.93059 -142.17258 468.74722
6840.0000 -145.45454 -142.42176 3.03278 1.92598 -142.24175 448.86321
6845.0000 -146.05414 -142.33508 3.71906 1.90668 -142.53088 436.55555
6850.0000 -146.05043 -142.42290 3.62753 1.93307 -142.13545 469.50947
6855.0000 -145.35035 -141.73719 3.61316 1.92978 -142.18473 471.04292
6860.0000 -145.84407 -142.59831 3.24576 1.94828 -141.90763 497.17202
6865.0000 -145.95714 -142.90940 3.04774 1.88265 -142.89100 432.97121
6870.0000 -146.05220 -142.34375 3.70844 1.91899 -142.34652 464.91521
6875.0000 -146.03999 -142.55190 3.48808 1.92476 -142.26003 479.78454
6880.0000 -145.67138 -141.94149 3.72989 1.92956 -142.18810 474.17552
6885.0000 -146.32170 -142.65929 3.66240 1.92626 -142.23756 480.91593
6890.0000 -145.60253 -142.24309 3.35944 1.91934 -142.34128 466.08287
6895.0000 -146.19579 -142.60573 3.59006 1.91328 -142.43199 465.54956
6900.0000 -146.17781 -143.05016 3.12765 1.87329 -143.03116 438.94126
6905.0000 -145.78678 -141.82817 3.95860 1.91334 -142.43118 450.08225
6910.0000 -146.35429 -143.02145 3.33284 1.90258 -142.59234 466.79888
6915.0000 -145.57299 -141.05463 4.51836 1.93606 -142.09065 507.77378
6920.0000 -145.83591 -142.31699 3.51892 1.97191 -141.55358 536.48151
6925.0000 -145.97791 -142.22253 3.75538 1.93467 -142.11144 503.78456
6930.0000 -145.23366 -141.03921 4.19446 1.96383 -141.67454 530.59552
6935.0000 -144.81410 -140.22958 4.58451 2.01726 -140.87394 573.19304
6940.0000 -144.51373 -141.02815 3.48558 2.05546 -140.30167 590.21708
6945.0000 -145.60031 -141.98346 3.61686 1.95209 -141.85045 487.34298
6950.0000 -146.05265 -142.28296 3.76968 1.94027 -142.02753 480.60880
6955.0000 -146.39064 -142.45850 3.93214 1.91065 -142.47139 447.69399
6960.0000 -145.00216 -141.53625 3.46591 1.97172 -141.55630 505.03896
6965.0000 -144.51265 -140.74244 3.77021 2.01643 -140.88643 546.98630
6970.0000 -145.46462 -141.95425 3.51037 1.98278 -141.39071 504.46533
6975.0000 -145.77072 -142.12155 3.64917 1.92754 -142.21830 469.62651
6980.0000 -145.69359 -141.58937 4.10421 1.96359 -141.67818 507.26953
6985.0000 -144.34879 -140.99152 3.35727 1.98693 -141.32840 520.99557
6990.0000 -144.69212 -140.07342 4.61869 2.03299 -140.63832 514.33029
6995.0000 -145.13773 -140.58365 4.55409 2.04694 -140.42932 548.71777
7000.0000 -145.18637 -141.17057 4.01580 2.04234 -140.49827 543.25120
FREEZING PROCESS: loop number 29 T-loop= 464.00000000000000
main_MD> interactions number 29 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32750 -0.90684 1.24479
force_rgl> df(natom) -1.09711 -1.09365 -2.44352
7005.0000 -144.61806 -141.47671 3.14135 1.97752 -141.46939 460.22365
7010.0000 -144.16549 -140.25727 3.90822 2.01501 -140.90770 501.55724
7015.0000 -145.15185 -141.28614 3.86571 2.01365 -140.92803 503.10622
7020.0000 -145.19264 -141.66448 3.52817 1.98332 -141.38249 468.00576
7025.0000 -145.27180 -141.76604 3.50576 1.96128 -141.71286 464.83414
7030.0000 -146.10408 -142.34048 3.76359 1.93572 -142.09579 457.67109
7035.0000 -145.64323 -142.60400 3.03924 1.89670 -142.68048 429.08742
7040.0000 -146.15625 -142.55133 3.60491 1.88779 -142.81396 439.26374
7045.0000 -145.83298 -142.56934 3.26364 1.90513 -142.55406 460.91918
7050.0000 -146.20241 -142.45638 3.74603 1.91238 -142.44544 460.27304
7055.0000 -146.08040 -142.35837 3.72203 1.93075 -142.17025 478.26351
7060.0000 -145.73342 -142.70492 3.02850 1.88777 -142.81427 439.31420
7065.0000 -145.98139 -143.59537 2.38602 1.86579 -143.14366 424.13974
7070.0000 -146.65151 -144.18298 2.46853 1.83812 -143.55812 406.59295
7075.0000 -146.28752 -142.65705 3.63047 1.84939 -143.38938 409.84754
7080.0000 -146.53352 -143.34431 3.18921 1.85927 -143.24130 423.20778
7085.0000 -145.97656 -142.41061 3.56595 1.85930 -143.24078 418.40120
7090.0000 -146.57788 -142.02796 4.54993 1.91651 -142.38360 474.74529
7095.0000 -145.73583 -141.96270 3.77313 1.92897 -142.19698 475.55962
7100.0000 -145.97763 -142.76176 3.21587 1.92817 -142.20896 480.34818
7105.0000 -146.14094 -142.93824 3.20270 1.89651 -142.68332 452.94350
7110.0000 -146.52180 -142.73407 3.78774 1.89233 -142.74598 447.05631
7115.0000 -145.61669 -141.58989 4.02680 1.92604 -142.24080 483.32891
7120.0000 -145.70124 -141.93438 3.76685 1.95939 -141.74112 506.31938
7125.0000 -146.12320 -142.66877 3.45443 1.91222 -142.44797 463.47027
7130.0000 -145.99939 -142.41735 3.58203 1.88510 -142.85420 445.57040
7135.0000 -145.45141 -141.09889 4.35252 1.91826 -142.35743 468.97151
7140.0000 -145.76693 -142.21691 3.55001 1.96014 -141.72992 500.56020
7145.0000 -146.27974 -142.86448 3.41525 1.92168 -142.30615 467.16623
7150.0000 -146.52581 -142.93469 3.59112 1.89132 -142.76098 454.19157
7155.0000 -145.32688 -142.58422 2.74266 1.90658 -142.53238 449.11966
7160.0000 -145.60718 -142.02437 3.58281 1.92060 -142.32236 450.65081
7165.0000 -144.89071 -142.38988 2.50083 1.92883 -142.19897 452.71718
7170.0000 -145.84882 -142.61439 3.23443 1.92357 -142.27780 461.13600
7175.0000 -145.69036 -142.31376 3.37660 1.91140 -142.46014 450.43036
7180.0000 -146.07151 -142.74966 3.32185 1.90908 -142.49502 445.01975
7185.0000 -146.08600 -142.73037 3.35563 1.91268 -142.44105 438.71258
7190.0000 -146.03204 -142.59773 3.43432 1.91606 -142.39037 440.25995
7195.0000 -146.15962 -142.53636 3.62326 1.96172 -141.70622 486.99603
7200.0000 -145.63263 -142.19762 3.43501 1.94953 -141.88884 473.36732
7205.0000 -146.20129 -143.12646 3.07484 1.90089 -142.61762 446.24755
7210.0000 -146.56505 -142.70892 3.85613 1.88343 -142.87929 433.20097
7215.0000 -145.24601 -141.78042 3.46560 1.93675 -142.08036 479.69212
7220.0000 -146.26069 -142.85309 3.40760 1.90454 -142.56304 450.60989
7225.0000 -145.75504 -141.94547 3.80957 1.92533 -142.25150 472.88285
7230.0000 -145.92213 -142.91254 3.00959 1.92494 -142.25734 466.11518
7235.0000 -145.89817 -142.42538 3.47279 1.91585 -142.39344 446.18494
7240.0000 -146.34918 -142.87557 3.47360 1.93442 -142.11524 462.45153
7245.0000 -146.25397 -142.80686 3.44711 1.87565 -142.99582 418.40211
7250.0000 -146.06030 -142.78856 3.27173 1.88021 -142.92757 411.77539
FREEZING PROCESS: loop number 30 T-loop= 439.00000000000000
main_MD> interactions number 30 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62784 -1.04756 -0.85278
force_rgl> df(natom) 0.51816 -1.70768 2.02850
7255.0000 -146.20479 -142.90453 3.30026 1.89035 -142.77554 429.45402
7260.0000 -145.79937 -141.73070 4.06867 1.91791 -142.36259 451.61125
7265.0000 -145.39107 -141.97652 3.41455 1.94274 -141.99057 471.88452
7270.0000 -146.47896 -143.33925 3.13971 1.89992 -142.63219 438.88727
7275.0000 -146.33265 -143.33731 2.99534 1.83164 -143.65526 396.35488
7280.0000 -145.76072 -142.59473 3.16598 1.89042 -142.77449 448.00011
7285.0000 -146.04884 -142.66781 3.38103 1.88441 -142.86457 421.85535
7290.0000 -146.88192 -144.15940 2.72253 1.88317 -142.88318 440.05364
7295.0000 -146.59209 -143.27336 3.31873 1.83866 -143.55013 402.68730
7300.0000 -146.29579 -143.00553 3.29026 1.86738 -143.11974 433.58552
7305.0000 -145.89799 -142.42692 3.47106 1.87781 -142.96342 433.85570
7310.0000 -146.39934 -143.44160 2.95775 1.88218 -142.89794 443.70886
7315.0000 -146.34324 -143.00921 3.33402 1.84701 -143.42504 409.16780
7320.0000 -146.88398 -143.47177 3.41220 1.86292 -143.18659 417.45203
7325.0000 -145.69795 -142.30027 3.39769 1.88048 -142.92354 439.28300
7330.0000 -146.10232 -142.44659 3.65573 1.91225 -142.44738 465.14875
7335.0000 -146.58648 -143.60656 2.97992 1.86259 -143.19157 420.16559
7340.0000 -145.69099 -142.54262 3.14837 1.86225 -143.19658 426.49611
7345.0000 -146.88408 -143.51249 3.37159 1.86415 -143.16815 421.58782
7350.0000 -146.57760 -143.68323 2.89437 1.85251 -143.34252 419.18259
7355.0000 -146.53629 -142.62394 3.91234 1.86083 -143.21788 423.71087
7360.0000 -146.21011 -142.79884 3.41127 1.89527 -142.70182 447.00658
7365.0000 -146.06052 -142.98189 3.07862 1.87730 -142.97115 425.92861
7370.0000 -145.85341 -142.10620 3.74721 1.90900 -142.49615 454.44944
7375.0000 -146.27520 -143.38730 2.88790 1.89463 -142.71140 442.69462
7380.0000 -146.42814 -143.35555 3.07259 1.87854 -142.95247 437.84797
7385.0000 -146.14164 -143.29803 2.84361 1.84711 -143.42346 412.61971
7390.0000 -145.74204 -142.17440 3.56764 1.90751 -142.51852 459.49256
7395.0000 -145.29366 -142.48917 2.80449 1.92236 -142.29589 463.83044
7400.0000 -145.95149 -142.36311 3.58838 1.89679 -142.67910 458.40627
7405.0000 -146.70001 -143.27956 3.42045 1.89877 -142.64938 457.05030
7410.0000 -146.50273 -143.66014 2.84259 1.86382 -143.17313 420.17487
7415.0000 -146.71212 -143.26757 3.44455 1.86928 -143.09128 446.60293
7420.0000 -146.03248 -142.85809 3.17439 1.84118 -143.51227 426.95464
7425.0000 -146.08577 -142.92438 3.16139 1.87515 -143.00332 451.73258
7430.0000 -146.79193 -142.88076 3.91118 1.87749 -142.96827 460.07721
7435.0000 -146.31800 -142.45136 3.86664 1.90487 -142.55795 476.35064
7440.0000 -146.47615 -143.13824 3.33791 1.89510 -142.70439 469.22626
7445.0000 -146.19505 -143.08111 3.11394 1.88289 -142.88731 459.09991
7450.0000 -146.77319 -143.01415 3.75905 1.86239 -143.19448 438.35689
7455.0000 -146.07998 -142.98650 3.09348 1.88116 -142.91336 459.43715
7460.0000 -146.99204 -143.46875 3.52329 1.85689 -143.27701 434.22774
7465.0000 -146.60685 -143.84015 2.76670 1.81904 -143.84410 397.31071
7470.0000 -147.23410 -144.51756 2.71654 1.81734 -143.86949 400.61422
7475.0000 -146.53140 -143.52306 3.00833 1.82793 -143.71087 409.53911
7480.0000 -146.51492 -143.06368 3.45124 1.84778 -143.41346 427.87401
7485.0000 -146.59012 -142.93984 3.65029 1.87582 -142.99323 456.58435
7490.0000 -146.70406 -143.34687 3.35720 1.83142 -143.65857 416.41687
7495.0000 -146.67789 -143.74716 2.93073 1.83732 -143.57021 423.68177
7500.0000 -145.93753 -143.01357 2.92396 1.84041 -143.52390 423.06665
FREEZING PROCESS: loop number 31 T-loop= 414.00000000000000
main_MD> interactions number 31 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92320 -0.30094 -0.62946
force_rgl> df(natom) 3.58273 -1.86428 1.13693
7505.0000 -146.66665 -143.44824 3.21841 1.87334 -143.03039 450.14619
7510.0000 -146.78527 -143.91718 2.86809 1.83216 -143.64756 411.24123
7515.0000 -146.62680 -143.36399 3.26280 1.83149 -143.65755 422.25791
7520.0000 -146.67645 -143.36671 3.30974 1.82440 -143.76375 413.63532
7525.0000 -146.57242 -143.05607 3.51635 1.87133 -143.06060 448.50030
7530.0000 -146.40370 -143.34274 3.06095 1.86677 -143.12896 447.71931
7535.0000 -146.24706 -142.47764 3.76942 1.85976 -143.23397 436.22711
7540.0000 -146.44267 -143.33637 3.10630 1.88977 -142.78428 465.31069
7545.0000 -146.26965 -142.97663 3.29302 1.88187 -142.90269 459.86206
7550.0000 -146.07160 -143.27899 2.79261 1.85192 -143.35138 429.75929
7555.0000 -146.60334 -144.06005 2.54328 1.82460 -143.76080 409.38115
7560.0000 -146.35471 -143.31214 3.04257 1.84520 -143.45204 421.59869
7565.0000 -146.24611 -143.25233 2.99378 1.85522 -143.30201 414.65907
7570.0000 -146.46222 -143.52231 2.93991 1.85259 -143.34141 414.97408
7575.0000 -146.00721 -143.01325 2.99396 1.86038 -143.22465 428.02466
7580.0000 -146.51527 -143.56415 2.95113 1.86737 -143.11989 424.02355
7585.0000 -146.29149 -143.04084 3.25064 1.83215 -143.64767 381.30703
7590.0000 -146.42442 -143.79008 2.63435 1.83427 -143.61583 392.91571
7595.0000 -147.13494 -143.71173 3.42321 1.82019 -143.82678 386.23019
7600.0000 -146.64840 -143.63754 3.01086 1.82407 -143.76876 389.70669
7605.0000 -146.53350 -143.72040 2.81311 1.82552 -143.74692 382.41977
7610.0000 -146.85302 -143.53655 3.31647 1.83642 -143.58365 396.92140
7615.0000 -146.70183 -143.26574 3.43609 1.84350 -143.47760 408.91282
7620.0000 -146.18450 -142.58771 3.59679 1.87954 -142.93755 432.89183
7625.0000 -146.09956 -143.12250 2.97706 1.89028 -142.77662 437.83262
7630.0000 -146.53871 -143.48316 3.05555 1.84632 -143.43534 415.31181
7635.0000 -146.23317 -142.86004 3.37313 1.86650 -143.13299 426.44945
7640.0000 -146.10876 -143.03095 3.07781 1.88023 -142.92721 441.61846
7645.0000 -146.94100 -143.97522 2.96577 1.83997 -143.53053 400.98601
7650.0000 -146.56931 -143.25916 3.31015 1.82341 -143.77865 381.55949
7655.0000 -146.36670 -143.22753 3.13918 1.86079 -143.21853 404.56152
7660.0000 -146.42558 -142.83440 3.59118 1.86167 -143.20528 424.30985
7665.0000 -146.65422 -143.37737 3.27685 1.85319 -143.33233 433.90573
7670.0000 -146.86891 -143.92199 2.94692 1.81454 -143.91146 399.30104
7675.0000 -146.83207 -143.61708 3.21499 1.82243 -143.79324 406.53920
7680.0000 -147.08182 -144.45879 2.62303 1.78664 -144.32952 375.51000
7685.0000 -146.52923 -143.50683 3.02240 1.79746 -144.16742 379.51501
7690.0000 -146.59727 -143.34590 3.25137 1.84240 -143.49409 421.01943
7695.0000 -146.68121 -143.99747 2.68374 1.84779 -143.41332 428.69200
7700.0000 -146.27150 -143.30719 2.96431 1.82804 -143.70919 410.52018
7705.0000 -146.89468 -143.61082 3.28386 1.85211 -143.34851 429.40944
7710.0000 -146.48892 -143.76310 2.72582 1.85567 -143.29526 436.66814
7715.0000 -147.07286 -143.95593 3.11692 1.81156 -143.95615 396.13981
7720.0000 -146.99221 -143.50464 3.48757 1.82608 -143.73863 408.87883
7725.0000 -146.50649 -143.15479 3.35170 1.86020 -143.22742 441.35438
7730.0000 -146.79865 -144.14441 2.65423 1.82249 -143.79234 405.92791
7735.0000 -147.28937 -144.13709 3.15229 1.79559 -144.19545 382.22499
7740.0000 -146.88801 -144.37578 2.51223 1.78402 -144.36878 370.49871
7745.0000 -146.58769 -144.16431 2.42339 1.80071 -144.11877 367.90418
7750.0000 -146.61456 -143.68527 2.92929 1.85146 -143.35835 411.26561
FREEZING PROCESS: loop number 32 T-loop= 389.00000000000000
main_MD> interactions number 32 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12975 -0.45322 0.19692
force_rgl> df(natom) -1.60176 -1.35731 -0.27791
7755.0000 -146.57688 -143.41849 3.15839 1.83742 -143.56865 419.48443
7760.0000 -147.15133 -143.98991 3.16142 1.81863 -143.85016 401.04228
7765.0000 -146.86432 -143.89927 2.96505 1.80418 -144.06673 390.15086
7770.0000 -147.10729 -144.60989 2.49740 1.79584 -144.19175 379.22351
7775.0000 -147.02838 -143.92167 3.10671 1.78489 -144.35579 371.70706
7780.0000 -146.77968 -143.71309 3.06659 1.82121 -143.81157 401.38138
7785.0000 -147.48350 -144.89588 2.58762 1.77779 -144.46216 366.00890
7790.0000 -147.30183 -144.73534 2.56649 1.78647 -144.33215 370.32308
7795.0000 -146.91422 -144.11042 2.80381 1.78686 -144.32620 371.80122
7800.0000 -147.38592 -144.49191 2.89402 1.78583 -144.34169 370.70844
7805.0000 -147.34412 -144.60114 2.74298 1.77203 -144.54848 361.53821
7810.0000 -146.69468 -143.61026 3.08442 1.83826 -143.55610 416.94392
7815.0000 -147.38734 -144.28143 3.10591 1.79341 -144.22812 377.77085
7820.0000 -147.26042 -144.29009 2.97033 1.75609 -144.78723 342.89716
7825.0000 -147.69474 -144.27482 3.41992 1.79225 -144.24550 380.38171
7830.0000 -146.85867 -143.71663 3.14203 1.80343 -144.07794 391.43579
7835.0000 -147.35778 -144.41151 2.94627 1.81132 -143.95974 396.76689
7840.0000 -147.38408 -144.36594 3.01813 1.78925 -144.29042 378.19014
7845.0000 -147.17456 -144.28860 2.88596 1.78864 -144.29951 373.93676
7850.0000 -146.63925 -144.10203 2.53722 1.79847 -144.15228 381.60269
7855.0000 -146.66226 -143.62223 3.04003 1.82339 -143.77896 411.79535
7860.0000 -147.43234 -144.11961 3.31273 1.81179 -143.95276 403.39677
7865.0000 -147.23814 -144.31265 2.92550 1.81164 -143.95492 393.32530
7870.0000 -146.97106 -143.97927 2.99179 1.81473 -143.90868 398.93744
7875.0000 -146.82686 -143.97208 2.85478 1.80953 -143.98662 395.56707
7880.0000 -146.79703 -143.42010 3.37692 1.84602 -143.43982 424.96844
7885.0000 -146.35313 -143.42514 2.92799 1.83864 -143.55033 419.69556
7890.0000 -146.85329 -144.16737 2.68592 1.80638 -144.03382 386.27921
7895.0000 -147.41651 -144.17176 3.24475 1.78835 -144.30387 375.27177
7900.0000 -146.83003 -143.59709 3.23294 1.82891 -143.69615 408.65041
7905.0000 -147.16947 -144.33527 2.83420 1.79316 -144.23180 377.09535
7910.0000 -147.12067 -143.86135 3.25932 1.79483 -144.20678 381.42421
7915.0000 -147.21475 -143.97093 3.24382 1.80237 -144.09388 385.61733
7920.0000 -146.93149 -143.81664 3.11485 1.78919 -144.29133 373.53267
7925.0000 -146.21650 -143.32483 2.89167 1.84615 -143.43794 425.20202
7930.0000 -146.41845 -143.97982 2.43863 1.84458 -143.46133 425.44121
7935.0000 -146.67511 -143.93467 2.74043 1.81351 -143.92690 392.69879
7940.0000 -147.13565 -144.34536 2.79029 1.80717 -144.02191 391.87951
7945.0000 -147.39476 -144.61674 2.77802 1.77570 -144.49344 362.02926
7950.0000 -147.26958 -144.03917 3.23041 1.78102 -144.41381 367.27535
7955.0000 -146.57324 -143.90904 2.66420 1.78952 -144.28639 377.71857
7960.0000 -147.08821 -144.35778 2.73043 1.82194 -143.80059 406.58628
7965.0000 -146.56954 -143.60212 2.96742 1.81235 -143.94437 393.14651
7970.0000 -146.62730 -143.80815 2.81915 1.83748 -143.56770 416.75477
7975.0000 -147.39265 -144.39027 3.00237 1.80773 -144.01357 389.57436
7980.0000 -146.68189 -143.62443 3.05745 1.82907 -143.69386 406.25141
7985.0000 -146.55661 -144.28717 2.26944 1.81449 -143.91220 375.94626
7990.0000 -146.60914 -143.69273 2.91641 1.82274 -143.78866 383.04683
7995.0000 -146.07823 -143.09978 2.97845 1.84191 -143.50138 396.70998
8000.0000 -146.63090 -143.61415 3.01676 1.84320 -143.48212 406.40428
FREEZING PROCESS: loop number 33 T-loop= 364.00000000000000
main_MD> interactions number 33 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25223 0.52191 0.37400
force_rgl> df(natom) 1.35149 -0.06461 0.01945
8005.0000 -146.56117 -144.04430 2.51687 1.80866 -143.99965 371.52717
8010.0000 -146.51045 -143.57302 2.93743 1.80286 -144.08645 368.33312
8015.0000 -147.61948 -144.30250 3.31698 1.81035 -143.97433 378.36363
8020.0000 -147.01948 -144.39484 2.62464 1.79469 -144.20894 376.99597
8025.0000 -146.97490 -144.53889 2.43602 1.78651 -144.33155 373.62714
8030.0000 -147.27769 -144.81559 2.46210 1.76175 -144.70250 348.95833
8035.0000 -147.43752 -144.78143 2.65609 1.74458 -144.95982 331.92479
8040.0000 -146.84228 -143.92349 2.91880 1.77156 -144.55543 366.44434
8045.0000 -147.00111 -144.16702 2.83409 1.81934 -143.83957 402.72039
8050.0000 -146.85621 -144.01502 2.84119 1.79346 -144.22741 377.77636
8055.0000 -147.27999 -144.37092 2.90907 1.78657 -144.33053 373.89847
8060.0000 -147.65362 -145.09096 2.56267 1.76181 -144.70156 349.10763
8065.0000 -147.27551 -144.29982 2.97569 1.77292 -144.53507 359.40447
8070.0000 -147.59469 -144.33835 3.25633 1.77221 -144.54574 358.80998
8075.0000 -147.03343 -144.08678 2.94665 1.79233 -144.24430 375.80908
8080.0000 -146.88642 -144.39624 2.49017 1.78794 -144.31006 374.52269
8085.0000 -147.61920 -144.86100 2.75820 1.76769 -144.61347 354.99791
8090.0000 -147.21502 -144.51168 2.70334 1.77066 -144.56905 358.77224
8095.0000 -146.38200 -144.12236 2.25964 1.78849 -144.30190 373.50670
8100.0000 -146.72251 -144.03488 2.68763 1.81468 -143.90934 396.26480
8105.0000 -147.09387 -144.30769 2.78618 1.79278 -144.23752 379.99356
8110.0000 -147.32077 -144.07220 3.24857 1.77992 -144.43017 365.83653
8115.0000 -147.48385 -144.51194 2.97191 1.78288 -144.38593 370.46433
8120.0000 -147.21058 -144.05995 3.15063 1.79311 -144.23256 381.75239
8125.0000 -146.36202 -143.39544 2.96658 1.77949 -144.43661 364.02158
8130.0000 -146.63034 -143.77557 2.85476 1.84856 -143.40177 425.43667
8135.0000 -146.92446 -144.11316 2.81130 1.80204 -144.09879 388.28105
8140.0000 -146.85388 -143.99453 2.85936 1.79644 -144.18268 382.51666
8145.0000 -146.54046 -143.74718 2.79329 1.82063 -143.82021 401.47435
8150.0000 -147.10862 -144.45473 2.65389 1.80640 -144.03350 387.15055
8155.0000 -147.31637 -144.27291 3.04346 1.77516 -144.50155 363.64028
8160.0000 -146.89244 -143.77650 3.11593 1.79666 -144.17935 383.29113
8165.0000 -146.45182 -143.75971 2.69211 1.79546 -144.19741 378.58718
8170.0000 -147.05188 -144.22771 2.82417 1.82267 -143.78965 406.24513
8175.0000 -146.71865 -143.74923 2.96942 1.80607 -144.03838 391.89090
8180.0000 -146.26205 -143.76752 2.49453 1.82718 -143.72213 404.91908
8185.0000 -147.22144 -144.66108 2.56036 1.77466 -144.50907 359.81147
8190.0000 -147.10003 -144.78935 2.31067 1.75786 -144.76082 349.28827
8195.0000 -147.58384 -144.95992 2.62392 1.76912 -144.59203 358.37213
8200.0000 -147.14870 -144.52961 2.61909 1.75677 -144.77710 344.06567
8205.0000 -146.68829 -143.76815 2.92013 1.80092 -144.11559 386.99508
8210.0000 -146.89731 -144.34191 2.55540 1.80865 -143.99976 391.42398
8215.0000 -147.04318 -144.71629 2.32689 1.76760 -144.61478 353.97411
8220.0000 -146.92601 -144.38320 2.54281 1.76798 -144.60913 357.60900
8225.0000 -146.89591 -144.49600 2.39991 1.76731 -144.61924 354.47951
8230.0000 -147.32665 -144.80199 2.52466 1.76122 -144.71037 352.08661
8235.0000 -147.38060 -144.35110 3.02950 1.74787 -144.91045 335.65812
8240.0000 -147.60088 -144.79250 2.80838 1.77561 -144.49485 360.41558
8245.0000 -146.66958 -144.23278 2.43680 1.78399 -144.36931 374.17351
8250.0000 -146.73553 -143.84831 2.88722 1.78202 -144.39877 367.91837
FREEZING PROCESS: loop number 34 T-loop= 339.00000000000000
main_MD> interactions number 34 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84793 2.46449 -2.08144
force_rgl> df(natom) 2.35936 1.13807 -1.16878
8255.0000 -147.33339 -145.30539 2.02800 1.77100 -144.56395 354.25676
8260.0000 -147.67877 -145.56758 2.11119 1.70843 -145.50148 305.82443
8265.0000 -147.06121 -144.71782 2.34339 1.73488 -145.10510 322.82338
8270.0000 -147.63896 -145.26187 2.37709 1.74306 -144.98252 330.84855
8275.0000 -147.82581 -145.61886 2.20695 1.73329 -145.12890 321.87669
8280.0000 -147.61756 -145.24293 2.37463 1.71565 -145.39329 302.22304
8285.0000 -147.56235 -145.47597 2.08638 1.71199 -145.44806 304.63116
8290.0000 -147.39036 -145.34335 2.04701 1.71474 -145.40682 305.86550
8295.0000 -147.34596 -144.96294 2.38302 1.73364 -145.12368 322.54618
8300.0000 -147.13027 -144.33142 2.79885 1.76981 -144.58171 360.45311
8305.0000 -147.47207 -144.64439 2.82768 1.80921 -143.99132 397.92190
8310.0000 -147.32382 -144.62723 2.69659 1.76929 -144.58955 353.11195
8315.0000 -147.43305 -144.83292 2.60013 1.75692 -144.77484 346.31651
8320.0000 -147.44482 -144.91722 2.52760 1.75403 -144.81816 346.33541
8325.0000 -147.05083 -144.41929 2.63153 1.76491 -144.65520 354.07406
8330.0000 -147.42025 -144.46929 2.95096 1.77136 -144.55850 360.87819
8335.0000 -147.55800 -145.11640 2.44160 1.75462 -144.80927 338.62350
8340.0000 -147.98283 -145.37498 2.60785 1.73440 -145.11223 324.49589
8345.0000 -147.69589 -145.03387 2.66202 1.74065 -145.01864 332.11100
8350.0000 -147.68855 -145.23783 2.45072 1.72883 -145.19578 319.75210
8355.0000 -147.51473 -144.68489 2.82985 1.75126 -144.85965 341.89668
8360.0000 -147.40976 -144.81701 2.59274 1.78142 -144.40778 355.15833
8365.0000 -147.58664 -144.97619 2.61045 1.73048 -145.17110 318.74892
8370.0000 -147.50279 -145.32960 2.17319 1.72483 -145.25565 314.37176
8375.0000 -147.11794 -144.79822 2.31972 1.72976 -145.18183 317.87489
8380.0000 -147.24947 -144.57849 2.67098 1.76285 -144.68603 352.05100
8385.0000 -147.74044 -145.20467 2.53577 1.77210 -144.54743 361.43393
8390.0000 -147.38174 -144.98560 2.39614 1.73799 -145.05846 327.67741
8395.0000 -147.62596 -145.18802 2.43794 1.73390 -145.11981 322.33671
8400.0000 -147.66401 -144.72554 2.93846 1.72730 -145.21867 316.45796
8405.0000 -147.42278 -145.08719 2.33560 1.76683 -144.62644 351.55899
8410.0000 -147.55132 -145.21948 2.33184 1.75600 -144.78864 344.94597
8415.0000 -147.92364 -145.20073 2.72291 1.72344 -145.27649 311.04870
8420.0000 -147.57715 -145.51553 2.06162 1.71308 -145.43181 304.53123
8425.0000 -147.30803 -144.96520 2.34282 1.72237 -145.29252 308.61621
8430.0000 -147.44075 -144.43032 3.01043 1.74824 -144.90492 336.75609
8435.0000 -147.37908 -144.93859 2.44049 1.77295 -144.53475 362.26924
8440.0000 -147.36563 -144.73641 2.62923 1.76499 -144.65399 349.72538
8445.0000 -147.31340 -144.91168 2.40172 1.74524 -144.94990 331.08098
8450.0000 -147.67578 -145.16541 2.51037 1.74932 -144.88877 338.79975
8455.0000 -147.38034 -145.06652 2.31382 1.73752 -145.06558 328.61197
8460.0000 -147.22260 -144.87788 2.34472 1.75537 -144.79806 343.25751
8465.0000 -147.48666 -144.58570 2.90096 1.75928 -144.73950 345.33193
8470.0000 -147.53000 -144.81936 2.71063 1.74282 -144.98606 332.46711
8475.0000 -147.23219 -144.48039 2.75180 1.76749 -144.61648 355.53218
8480.0000 -147.38183 -145.02068 2.36115 1.76053 -144.72077 349.80680
8485.0000 -146.84529 -144.80130 2.04399 1.75112 -144.86184 337.99314
8490.0000 -147.74450 -144.81429 2.93021 1.75933 -144.73878 346.30776
8495.0000 -147.31553 -144.96280 2.35273 1.77663 -144.47957 363.42945
8500.0000 -147.55418 -144.92708 2.62710 1.74932 -144.88875 341.45639
FREEZING PROCESS: loop number 35 T-loop= 314.00000000000000
main_MD> interactions number 35 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34699 -0.45126 0.51433
force_rgl> df(natom) 1.30799 -0.32395 1.16201
8505.0000 -147.81859 -145.41061 2.40798 1.71557 -145.39449 304.62452
8510.0000 -146.93994 -144.90531 2.03463 1.73766 -145.06347 327.56005
8515.0000 -147.96846 -145.51886 2.44960 1.74801 -144.90841 334.11544
8520.0000 -147.91986 -145.64483 2.27503 1.69747 -145.66564 287.27537
8525.0000 -147.84926 -145.33062 2.51864 1.70899 -145.49298 300.99524
8530.0000 -147.37305 -145.13144 2.24162 1.71630 -145.38347 308.21004
8535.0000 -147.72852 -145.44594 2.28258 1.72242 -145.29175 312.62033
8540.0000 -147.53585 -145.14892 2.38692 1.71249 -145.44057 304.91139
8545.0000 -147.44589 -145.06899 2.37690 1.74775 -144.91232 333.22699
8550.0000 -147.93690 -145.38738 2.54952 1.72347 -145.27603 313.38827
8555.0000 -147.68723 -145.15455 2.53268 1.70824 -145.50422 298.03838
8560.0000 -147.52192 -144.99465 2.52727 1.71793 -145.35901 308.49370
8565.0000 -147.68865 -145.47577 2.21288 1.71211 -145.44630 304.22643
8570.0000 -147.55239 -145.30124 2.25114 1.72167 -145.30306 311.32011
8575.0000 -147.33749 -145.42956 1.90794 1.72317 -145.28057 313.47933
8580.0000 -147.44490 -145.31019 2.13472 1.72016 -145.32571 310.37238
8585.0000 -147.60369 -145.20713 2.39656 1.73283 -145.13587 321.89335
8590.0000 -147.86390 -145.11309 2.75081 1.72859 -145.19936 317.28337
8595.0000 -147.29363 -145.37251 1.92112 1.73096 -145.16388 323.53009
8600.0000 -147.71772 -145.82788 1.88984 1.70790 -145.50938 300.78011
8605.0000 -147.79051 -145.44824 2.34227 1.69430 -145.71317 284.86861
8610.0000 -147.38947 -145.11828 2.27119 1.71881 -145.34583 306.45256
8615.0000 -147.48692 -144.85609 2.63083 1.73837 -145.05274 324.31972
8620.0000 -147.36926 -144.91953 2.44973 1.75531 -144.79899 344.52442
8625.0000 -147.60442 -145.43764 2.16678 1.72998 -145.17853 317.57852
8630.0000 -147.98990 -145.83749 2.15242 1.70435 -145.56249 295.06547
8635.0000 -147.58918 -145.02396 2.56522 1.70736 -145.51739 296.22012
8640.0000 -147.24835 -144.87151 2.37684 1.74727 -144.91945 333.21125
8645.0000 -147.19357 -144.92152 2.27205 1.75454 -144.81054 339.60350
8650.0000 -147.75632 -145.26269 2.49362 1.74367 -144.97337 334.35343
8655.0000 -147.15589 -144.98411 2.17178 1.73247 -145.14121 318.76540
8660.0000 -147.86634 -145.59762 2.26872 1.73203 -145.14787 319.84543
8665.0000 -147.87401 -145.19666 2.67736 1.72023 -145.32462 311.80467
8670.0000 -147.63830 -145.78461 1.85369 1.70888 -145.49461 297.81594
8675.0000 -148.13633 -145.86782 2.26851 1.68443 -145.86101 281.60717
8680.0000 -147.38768 -144.93714 2.45053 1.70591 -145.53922 296.04435
8685.0000 -147.37763 -144.42946 2.94816 1.74856 -144.90019 335.73382
8690.0000 -146.91570 -144.11447 2.80123 1.76857 -144.60032 354.99712
8695.0000 -147.66493 -145.35034 2.31459 1.77323 -144.53051 357.35090
8700.0000 -147.91464 -145.87489 2.03975 1.71865 -145.34822 308.49272
8705.0000 -148.10782 -146.07177 2.03604 1.68164 -145.90276 273.18243
8710.0000 -147.10283 -144.90768 2.19515 1.72002 -145.32782 311.06593
8715.0000 -147.49967 -145.19947 2.30020 1.73877 -145.04689 328.53193
8720.0000 -147.75163 -145.53070 2.22093 1.71919 -145.34023 309.49157
8725.0000 -148.14307 -145.67680 2.46627 1.68115 -145.91017 275.19033
8730.0000 -147.66682 -145.28408 2.38273 1.72257 -145.28952 312.49996
8735.0000 -147.62273 -144.83228 2.79045 1.74185 -145.00063 328.78932
8740.0000 -147.79661 -145.44739 2.34922 1.73956 -145.03498 331.55037
8745.0000 -147.93995 -145.72591 2.21404 1.70918 -145.49021 297.83789
8750.0000 -147.60958 -145.52530 2.08429 1.70500 -145.55276 296.68423
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 11 [min], 48.0760885 [s].
main_MD> Deallocating global variables
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