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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_48/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_48.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 = 48 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 48 4800
main_MD> Size of nv and nvoiz: 48 4800
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 = 48
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> -3.2584270031920916E-002 -0.12272998591386160 -0.10730413536794241 initial drift of cluster / NP1 for coalescence
init> 0.37971728699502688 0.35349028078657402 0.32767508529063039 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7531698272126575E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16336 1.67218 0.52697
force_rgl> df(natom) 1.53805 2.34021 -1.75150
preparo> THERMALIZATION PROCESS AT 1223.6244767377475
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -101.22376934668323 7.8192930524657589 -109.04306239914898 6.6214536143986832E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1197.0000000000000
main_MD> interactions number 1 at Temperature= 1197.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.73055 -1.66578 -0.88907
force_rgl> df(natom) 2.09968 2.43736 -0.58923
5.0000 -111.38137 -103.86075 7.52062 2.90693 -103.20614 1180.40388
10.0000 -109.41338 -101.87051 7.54287 2.83953 -104.09632 1105.57881
15.0000 -112.44729 -105.17919 7.26809 2.87824 -103.58507 1147.15839
20.0000 -110.52062 -103.66000 6.86062 2.87062 -103.68564 1140.57008
25.0000 -110.85939 -103.96064 6.89875 2.78564 -104.80801 1092.12822
30.0000 -111.50115 -103.51257 7.98858 2.90396 -103.24535 1241.76100
35.0000 -111.29196 -104.15726 7.13471 2.84661 -104.00277 1153.15535
40.0000 -110.65998 -104.15235 6.50763 2.85039 -103.95288 1195.64783
45.0000 -111.74281 -105.71155 6.03126 2.78553 -104.80957 1047.74698
50.0000 -112.37658 -105.00315 7.37343 2.75035 -105.27411 1121.17740
55.0000 -111.35394 -102.70206 8.65188 2.85956 -103.83181 1146.57114
60.0000 -112.10928 -103.82251 8.28677 2.86574 -103.75011 1180.07219
65.0000 -112.26125 -104.01576 8.24550 2.88235 -103.53081 1172.72895
70.0000 -111.18700 -104.87518 6.31182 2.83940 -104.09802 1184.69231
75.0000 -110.75763 -103.71549 7.04214 2.78738 -104.78509 1116.18333
80.0000 -111.02737 -103.21211 7.81526 2.90123 -103.28139 1242.60122
85.0000 -109.97785 -103.62008 6.35777 2.84484 -104.02613 1136.63732
90.0000 -110.96083 -104.32862 6.63221 2.82236 -104.32305 1143.61723
95.0000 -112.75879 -105.73043 7.02836 2.79783 -104.64708 1119.61443
100.0000 -111.96677 -104.33082 7.63595 2.77714 -104.92034 1121.72108
105.0000 -109.71124 -102.79985 6.91139 2.83225 -104.19244 1148.27294
110.0000 -109.74498 -103.47477 6.27022 2.85457 -103.89765 1172.71123
115.0000 -111.04982 -105.71322 5.33660 2.82986 -104.22407 1170.90223
120.0000 -111.35492 -104.56961 6.78531 2.81525 -104.41703 1119.84015
125.0000 -110.47305 -102.72305 7.75000 2.83404 -104.16881 1171.09808
130.0000 -111.25062 -102.76452 8.48611 2.94992 -102.63831 1290.83782
135.0000 -111.25442 -103.34155 7.91287 2.89421 -103.37406 1216.27148
140.0000 -112.83798 -104.81776 8.02022 2.90691 -103.20643 1213.29674
145.0000 -110.32464 -103.10559 7.21905 2.88457 -103.50143 1234.14236
150.0000 -110.26702 -102.05149 8.21553 2.96369 -102.45643 1225.50138
155.0000 -109.63758 -101.95238 7.68520 2.97075 -102.36321 1238.63167
160.0000 -109.24374 -101.00445 8.23929 2.96843 -102.39379 1240.85035
165.0000 -110.19633 -100.76854 9.42778 2.98930 -102.11814 1302.78094
170.0000 -109.99859 -103.83431 6.16428 3.10041 -100.65070 1370.91055
175.0000 -110.89173 -103.63267 7.25906 2.83631 -104.13885 1111.75867
180.0000 -110.01885 -101.89554 8.12331 2.90813 -103.19021 1239.99005
185.0000 -109.60000 -101.94978 7.65022 2.95747 -102.53860 1276.22071
190.0000 -109.44942 -102.44636 7.00305 2.97829 -102.26356 1255.15905
195.0000 -111.61179 -103.34266 8.26914 2.95284 -102.59968 1188.97482
200.0000 -110.40119 -102.49792 7.90327 2.94260 -102.73497 1273.15410
205.0000 -110.12800 -103.12829 6.99972 2.94102 -102.75581 1212.97190
210.0000 -110.07809 -101.80652 8.27157 2.99423 -102.05304 1251.19743
215.0000 -111.43467 -104.85899 6.57568 2.89771 -103.32783 1230.05780
220.0000 -112.52493 -105.88619 6.63874 2.75049 -105.27235 1127.81341
225.0000 -109.18591 -102.46617 6.71974 2.92168 -103.01132 1233.50769
230.0000 -108.19680 -101.05874 7.13806 3.10751 -100.55689 1349.97099
235.0000 -110.24309 -102.67738 7.56571 3.04109 -101.43421 1299.54501
240.0000 -112.08947 -104.54367 7.54580 2.83297 -104.18293 1164.63764
245.0000 -110.39712 -103.14184 7.25529 2.90053 -103.29065 1193.02354
250.0000 -109.81661 -102.72607 7.09054 2.97365 -102.32492 1235.95535
FREEZING PROCESS: loop number 2 T-loop= 1172.0000000000000
main_MD> interactions number 2 at Temperature= 1172.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27999 -1.10586 -0.90492
force_rgl> df(natom) 1.07248 -0.63265 -0.14832
255.0000 -109.69659 -101.71907 7.97753 3.00018 -101.97456 1234.67743
260.0000 -111.93327 -103.86294 8.07033 2.94128 -102.75245 1208.77958
265.0000 -109.58101 -103.96315 5.61786 2.83030 -104.21824 1177.79334
270.0000 -113.00551 -105.00637 7.99914 2.81725 -104.39058 1144.98975
275.0000 -111.58914 -104.61787 6.97128 2.83400 -104.16932 1134.33401
280.0000 -112.88909 -104.53744 8.35165 2.82790 -104.24998 1131.95104
285.0000 -111.38223 -103.69115 7.69108 2.80761 -104.51787 1138.35297
290.0000 -111.49732 -103.89284 7.60449 2.80131 -104.60112 1125.92182
295.0000 -112.46919 -105.01101 7.45817 2.85248 -103.92533 1152.20465
300.0000 -112.40038 -106.12261 6.27777 2.74679 -105.32125 1099.26049
305.0000 -111.47725 -103.53783 7.93942 2.78714 -104.78825 1122.27364
310.0000 -110.81419 -102.29284 8.52134 2.98192 -102.21572 1271.06117
315.0000 -110.41797 -102.78226 7.63570 2.92148 -103.01398 1190.65699
320.0000 -110.43930 -103.32600 7.11329 2.92725 -102.93769 1219.69637
325.0000 -111.80004 -103.30632 8.49373 2.94888 -102.65209 1247.68269
330.0000 -109.39850 -102.65143 6.74707 2.88872 -103.44659 1167.14731
335.0000 -110.73530 -105.00060 5.73471 2.90268 -103.26226 1228.99930
340.0000 -111.16315 -104.39941 6.76374 2.74223 -105.38137 1094.13373
345.0000 -112.69050 -106.05326 6.63724 2.73782 -105.43963 1067.47883
350.0000 -112.10930 -104.85141 7.25789 2.68163 -106.18187 1037.15083
355.0000 -109.60519 -102.30321 7.30198 2.89830 -103.32015 1233.89263
360.0000 -111.77516 -104.58344 7.19171 2.88403 -103.50861 1194.54574
365.0000 -110.93477 -104.16779 6.76699 2.81716 -104.39182 1140.91325
370.0000 -109.96110 -102.85916 7.10193 2.91719 -103.07061 1239.43096
375.0000 -110.23379 -102.57858 7.65521 2.88066 -103.55311 1200.06480
380.0000 -111.83528 -103.71942 8.11586 2.90127 -103.28091 1203.41265
385.0000 -110.76113 -104.38967 6.37145 2.83075 -104.21226 1175.47956
390.0000 -111.51893 -104.77248 6.74645 2.79593 -104.67213 1132.00545
395.0000 -111.68795 -105.19297 6.49498 2.74731 -105.31435 1135.55302
400.0000 -111.54640 -103.94285 7.60356 2.84598 -104.01109 1162.34228
405.0000 -111.79255 -104.24016 7.55239 2.80015 -104.61649 1109.95662
410.0000 -111.07486 -104.85934 6.21552 2.79005 -104.74989 1105.01730
415.0000 -112.12769 -104.58908 7.53860 2.78191 -104.85739 1078.82370
420.0000 -110.98039 -103.66475 7.31564 2.87504 -103.62727 1171.64317
425.0000 -114.05445 -107.68432 6.37012 2.70746 -105.84067 1056.15478
430.0000 -113.43087 -105.13813 8.29274 2.71138 -105.78892 1068.62594
435.0000 -110.88835 -104.47547 6.41289 2.84641 -104.00538 1154.82670
440.0000 -110.43497 -103.32054 7.11443 2.82445 -104.29551 1140.59744
445.0000 -110.36750 -103.71638 6.65112 2.92044 -103.02774 1247.32851
450.0000 -110.56782 -103.15536 7.41247 2.90407 -103.24386 1217.05012
455.0000 -111.69767 -105.68300 6.01466 2.86683 -103.73575 1163.27199
460.0000 -111.52865 -104.40950 7.11916 2.77260 -104.98030 1107.83919
465.0000 -111.73295 -104.99886 6.73409 2.74940 -105.28671 1097.25929
470.0000 -110.33562 -104.10053 6.23509 2.79530 -104.68054 1106.40575
475.0000 -111.61291 -103.47393 8.13898 2.80625 -104.53593 1111.82279
480.0000 -108.89949 -100.13115 8.76834 3.00476 -101.91407 1309.35899
485.0000 -108.07910 -98.35157 9.72753 3.21999 -99.07131 1456.81187
490.0000 -110.41264 -101.25391 9.15872 3.14373 -100.07846 1403.97363
495.0000 -110.92873 -103.12574 7.80299 2.90835 -103.18740 1221.18353
500.0000 -111.89244 -104.27166 7.62078 2.89001 -103.42957 1155.47202
FREEZING PROCESS: loop number 3 T-loop= 1147.0000000000000
main_MD> interactions number 3 at Temperature= 1147.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48834 1.12160 0.06650
force_rgl> df(natom) -4.10147 1.04085 0.32428
505.0000 -111.18357 -104.37314 6.81043 2.80428 -104.56184 1167.90050
510.0000 -109.95185 -103.99631 5.95555 2.80731 -104.52184 1125.26277
515.0000 -110.77016 -103.77581 6.99435 2.83360 -104.17458 1132.39959
520.0000 -109.94485 -102.29415 7.65069 2.86725 -103.73020 1147.64402
525.0000 -111.67320 -102.85618 8.81703 2.96671 -102.41658 1205.69667
530.0000 -110.91744 -101.97574 8.94171 2.96944 -102.38048 1248.83715
535.0000 -111.30004 -103.65665 7.64339 2.92440 -102.97544 1260.92798
540.0000 -110.92565 -103.28090 7.64474 2.93382 -102.85090 1188.67152
545.0000 -110.46788 -103.10819 7.35969 2.93579 -102.82493 1186.08065
550.0000 -111.13966 -102.45940 8.68026 2.91129 -103.14849 1214.28266
555.0000 -112.16582 -103.56418 8.60164 2.91992 -103.03449 1284.24670
560.0000 -110.61648 -101.67861 8.93788 3.03792 -101.47602 1348.40124
565.0000 -110.47351 -102.37768 8.09583 3.04076 -101.43853 1329.49455
570.0000 -110.82493 -103.98065 6.84428 2.87766 -103.59274 1196.16361
575.0000 -111.16185 -103.71784 7.44401 2.85307 -103.91746 1178.53456
580.0000 -109.14056 -102.27343 6.86713 2.92699 -102.94119 1225.65397
585.0000 -111.43889 -105.25349 6.18540 2.86486 -103.76180 1154.11330
590.0000 -111.92321 -104.95357 6.96964 2.81238 -104.45494 1128.96536
595.0000 -109.93008 -101.96474 7.96534 2.87078 -103.68351 1145.92522
600.0000 -111.05430 -103.43923 7.61507 2.91432 -103.10845 1229.98409
605.0000 -112.63364 -105.99056 6.64308 2.80959 -104.49170 1152.19724
610.0000 -111.42521 -103.74446 7.68076 2.87704 -103.60086 1212.18690
615.0000 -110.45928 -103.96827 6.49101 2.84584 -104.01302 1175.53129
620.0000 -109.89246 -103.82224 6.07022 2.82654 -104.26784 1137.58545
625.0000 -111.63629 -105.44235 6.19394 2.79043 -104.74487 1141.43710
630.0000 -112.81236 -106.40046 6.41190 2.69038 -106.06621 1034.47177
635.0000 -109.74460 -103.17740 6.56721 2.79715 -104.65607 1147.11756
640.0000 -112.18483 -104.45493 7.72990 2.79767 -104.64925 1137.83221
645.0000 -112.87373 -105.23227 7.64147 2.72460 -105.61422 1089.80040
650.0000 -112.39264 -105.27806 7.11458 2.74952 -105.28516 1103.31789
655.0000 -110.80956 -104.39038 6.41919 2.77894 -104.89655 1063.37853
660.0000 -110.23383 -102.24922 7.98461 2.99574 -102.03307 1273.17114
665.0000 -110.77826 -104.67180 6.10646 2.86522 -103.75703 1134.61766
670.0000 -111.42853 -104.52965 6.89887 2.84685 -103.99960 1142.56223
675.0000 -109.92724 -101.30291 8.62432 2.89577 -103.35350 1207.81782
680.0000 -110.28729 -101.91781 8.36948 3.01999 -101.71286 1304.50522
685.0000 -109.42610 -102.35164 7.07445 3.04527 -101.37902 1293.60061
690.0000 -111.34468 -105.36050 5.98418 2.85148 -103.93848 1139.71268
695.0000 -111.79528 -105.80128 5.99399 2.72350 -105.62877 1093.54629
700.0000 -112.41504 -105.86261 6.55243 2.71269 -105.77162 1102.87405
705.0000 -111.15588 -102.87273 8.28315 2.86962 -103.69883 1179.40319
710.0000 -109.62426 -101.48499 8.13927 3.04066 -101.43989 1351.93566
715.0000 -110.49449 -102.89681 7.59769 2.99754 -102.00936 1286.78837
720.0000 -112.22233 -105.10395 7.11837 2.89167 -103.40773 1188.80718
725.0000 -112.81621 -106.72549 6.09072 2.68676 -106.11400 1026.07581
730.0000 -111.33807 -103.78054 7.55753 2.78894 -104.76454 1120.14635
735.0000 -113.39229 -106.03851 7.35378 2.82248 -104.32151 1148.59282
740.0000 -112.56451 -104.32452 8.23999 2.73051 -105.53616 1039.80088
745.0000 -111.46717 -105.25923 6.20794 2.80424 -104.56247 1093.74106
750.0000 -111.21880 -104.80731 6.41149 2.77430 -104.95785 1075.45958
FREEZING PROCESS: loop number 4 T-loop= 1122.0000000000000
main_MD> interactions number 4 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48049 1.46084 3.47910
force_rgl> df(natom) 0.87235 -2.12344 1.19624
755.0000 -111.59263 -103.62360 7.96903 2.82664 -104.26657 1180.97426
760.0000 -112.43907 -103.86151 8.57756 2.87401 -103.64097 1176.74231
765.0000 -112.37571 -104.72706 7.64865 2.84440 -104.03195 1189.57863
770.0000 -111.60804 -104.93549 6.67255 2.83538 -104.15117 1147.09332
775.0000 -111.06372 -106.31542 4.74830 2.69000 -106.07122 1006.45065
780.0000 -112.87391 -106.28888 6.58503 2.74486 -105.34664 1084.75657
785.0000 -112.89059 -106.02660 6.86400 2.74143 -105.39195 1090.36293
790.0000 -111.23023 -105.18146 6.04877 2.74887 -105.29370 1080.93052
795.0000 -112.07628 -104.08754 7.98874 2.77211 -104.98681 1057.28820
800.0000 -110.60560 -104.39181 6.21379 2.83612 -104.14133 1161.95034
805.0000 -112.93117 -105.54329 7.38788 2.83463 -104.16098 1121.31787
810.0000 -112.51669 -104.70438 7.81230 2.76069 -105.13762 1133.53814
815.0000 -111.34760 -104.50589 6.84171 2.79281 -104.71342 1133.80114
820.0000 -111.35550 -104.48660 6.86890 2.87555 -103.62061 1169.54858
825.0000 -113.35444 -107.48672 5.86772 2.70418 -105.88399 1017.15844
830.0000 -112.86776 -106.40515 6.46261 2.60698 -107.16773 987.98301
835.0000 -111.41809 -104.26283 7.15526 2.74522 -105.34189 1051.96893
840.0000 -109.82473 -102.83492 6.98980 2.89701 -103.33712 1162.54456
845.0000 -111.39758 -103.93981 7.45776 2.83165 -104.20033 1186.15211
850.0000 -112.78648 -105.53053 7.25596 2.83309 -104.18131 1137.18396
855.0000 -114.77061 -106.59296 8.17765 2.69425 -106.01508 1037.07474
860.0000 -111.49709 -105.25073 6.24636 2.65210 -106.57187 1037.98734
865.0000 -110.56062 -102.94791 7.61271 2.79708 -104.65693 1118.88906
870.0000 -111.09905 -103.86351 7.23554 2.94473 -102.70691 1260.35579
875.0000 -111.70048 -104.20247 7.49801 2.78848 -104.77050 1037.85849
880.0000 -111.81161 -105.74079 6.07082 2.76515 -105.07874 1073.93811
885.0000 -110.61605 -104.26085 6.35520 2.74068 -105.40190 1119.19617
890.0000 -112.51074 -104.83424 7.67650 2.84193 -104.06463 1163.02060
895.0000 -111.84842 -105.62846 6.21996 2.79661 -104.66318 1125.28129
900.0000 -110.05024 -103.71894 6.33130 2.80895 -104.50015 1125.74080
905.0000 -111.94243 -105.12718 6.81525 2.79189 -104.72557 1129.64461
910.0000 -111.74904 -104.94540 6.80364 2.78488 -104.81806 1135.94059
915.0000 -112.47605 -105.61203 6.86402 2.79253 -104.71703 1111.57886
920.0000 -111.99487 -104.89046 7.10441 2.76907 -105.02689 1107.55900
925.0000 -113.07931 -105.96353 7.11578 2.70953 -105.81331 1057.26766
930.0000 -112.29200 -105.78728 6.50472 2.70163 -105.91770 1019.37533
935.0000 -111.02358 -104.11689 6.90669 2.77426 -104.95839 1096.13782
940.0000 -111.26999 -103.16200 8.10800 2.84489 -104.02556 1159.01115
945.0000 -110.97083 -103.85815 7.11268 2.86754 -103.72641 1197.99393
950.0000 -111.45176 -104.57840 6.87336 2.82711 -104.26037 1098.41425
955.0000 -109.85491 -102.40069 7.45422 2.86171 -103.80334 1158.39931
960.0000 -110.72684 -104.50816 6.21868 2.83082 -104.21142 1084.78439
965.0000 -111.17337 -105.50942 5.66394 2.81474 -104.42373 1133.61237
970.0000 -111.17244 -103.36914 7.80330 2.80248 -104.58562 1138.06515
975.0000 -110.84279 -103.99601 6.84678 2.85757 -103.85810 1145.50287
980.0000 -112.88113 -106.02224 6.85889 2.73711 -105.44900 1077.63525
985.0000 -112.11059 -106.02893 6.08166 2.67930 -106.21261 1040.21722
990.0000 -112.19036 -104.78708 7.40328 2.71595 -105.72850 1058.29611
995.0000 -113.51426 -106.68688 6.82738 2.73551 -105.47021 1120.69562
1000.0000 -113.30323 -108.04963 5.25360 2.61499 -107.06194 1013.83344
FREEZING PROCESS: loop number 5 T-loop= 1097.0000000000000
main_MD> interactions number 5 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29287 1.14736 1.47877
force_rgl> df(natom) 0.99007 -0.49486 -0.35225
1005.0000 -114.30124 -106.95866 7.34259 2.60878 -107.14393 1026.49069
1010.0000 -113.58945 -107.01136 6.57809 2.65437 -106.54186 1007.59631
1015.0000 -111.94811 -102.95765 8.99047 2.70435 -105.88178 1064.52144
1020.0000 -111.35779 -104.58555 6.77224 2.90139 -103.27931 1166.82279
1025.0000 -110.63947 -103.80056 6.83891 2.85410 -103.90386 1183.26118
1030.0000 -112.79327 -105.99225 6.80102 2.79859 -104.63705 1132.57137
1035.0000 -110.89701 -104.97426 5.92275 2.76465 -105.08529 1107.51634
1040.0000 -112.15510 -106.01010 6.14499 2.75866 -105.16443 1060.49622
1045.0000 -111.88557 -103.77479 8.11078 2.77151 -104.99469 1103.12244
1050.0000 -112.32618 -105.63231 6.69387 2.79429 -104.69377 1148.73480
1055.0000 -112.79085 -105.63181 7.15904 2.76810 -105.03976 1164.59370
1060.0000 -110.81493 -104.13226 6.68267 2.76397 -105.09426 1104.86032
1065.0000 -111.52706 -104.56363 6.96344 2.80033 -104.61401 1104.00335
1070.0000 -112.57762 -105.36544 7.21218 2.71300 -105.76755 1065.86662
1075.0000 -112.05418 -105.81588 6.23830 2.72531 -105.60483 1107.82691
1080.0000 -112.33023 -105.48491 6.84532 2.68022 -106.20045 1018.91867
1085.0000 -112.82516 -105.99271 6.83244 2.71538 -105.73600 1059.85793
1090.0000 -111.03804 -104.68108 6.35696 2.71975 -105.67835 1078.07698
1095.0000 -112.32184 -105.57197 6.74988 2.72583 -105.59808 1022.76787
1100.0000 -112.40656 -105.85092 6.55564 2.79250 -104.71750 1132.83680
1105.0000 -112.17351 -105.35482 6.81869 2.72275 -105.63875 1059.17980
1110.0000 -112.10196 -105.08422 7.01774 2.80173 -104.59555 1134.10030
1115.0000 -110.96417 -104.16034 6.80383 2.79369 -104.70178 1116.73711
1120.0000 -110.96325 -103.16990 7.79335 2.93222 -102.87204 1195.09124
1125.0000 -111.92671 -104.56872 7.35799 2.77304 -104.97452 1073.78625
1130.0000 -113.17930 -105.02963 8.14967 2.75062 -105.27064 1078.38563
1135.0000 -111.60052 -105.66369 5.93683 2.75160 -105.25764 1098.65050
1140.0000 -110.16274 -102.98734 7.17539 2.77460 -104.95390 1081.54556
1145.0000 -112.84771 -106.16292 6.68480 2.84983 -103.96025 1161.44846
1150.0000 -112.84615 -106.93363 5.91252 2.68815 -106.09573 1025.71541
1155.0000 -113.12775 -107.73392 5.39383 2.62654 -106.90943 1002.05724
1160.0000 -112.76559 -105.98000 6.78559 2.60468 -107.19809 977.27407
1165.0000 -112.72302 -106.00121 6.72181 2.73152 -105.52294 1063.23481
1170.0000 -112.39029 -105.94806 6.44223 2.66081 -106.45676 991.40008
1175.0000 -111.32822 -104.64989 6.67833 2.75556 -105.20533 1109.90878
1180.0000 -112.10427 -104.36776 7.73651 2.86106 -103.81199 1130.25199
1185.0000 -111.00004 -103.41822 7.58182 2.82699 -104.26196 1171.27073
1190.0000 -110.28643 -103.69899 6.58744 2.89551 -103.35693 1197.52663
1195.0000 -111.81319 -103.90298 7.91020 2.84756 -103.99022 1128.73268
1200.0000 -111.38570 -104.36115 7.02455 2.81852 -104.37386 1133.01594
1205.0000 -113.11220 -106.30964 6.80255 2.75288 -105.24070 1097.37127
1210.0000 -112.90403 -105.97245 6.93158 2.65688 -106.50866 1052.46849
1215.0000 -112.45526 -106.50227 5.95299 2.64657 -106.64482 1008.91897
1220.0000 -114.49962 -107.70905 6.79056 2.64758 -106.63148 1010.27266
1225.0000 -113.71452 -106.96119 6.75333 2.63126 -106.84705 1020.51378
1230.0000 -112.80274 -105.63863 7.16410 2.68636 -106.11940 1001.22471
1235.0000 -111.52988 -104.61555 6.91433 2.76760 -105.04634 1091.64476
1240.0000 -110.98297 -104.11778 6.86519 2.84351 -104.04369 1133.85335
1245.0000 -110.58116 -103.28265 7.29851 2.81015 -104.48438 1134.90203
1250.0000 -110.47393 -103.16700 7.30693 2.84400 -104.03724 1143.46854
FREEZING PROCESS: loop number 6 T-loop= 1072.0000000000000
main_MD> interactions number 6 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94173 -4.02550 3.21026
force_rgl> df(natom) 0.45203 -4.69314 4.22355
1255.0000 -112.03137 -105.14779 6.88359 2.86630 -103.74272 1174.73304
1260.0000 -111.77348 -104.92335 6.85013 2.80205 -104.59130 1122.28678
1265.0000 -111.52823 -103.95486 7.57337 2.82127 -104.33750 1123.15117
1270.0000 -112.52048 -106.23989 6.28059 2.82161 -104.33295 1110.34631
1275.0000 -113.73302 -106.79592 6.93709 2.66001 -106.46737 1048.63241
1280.0000 -111.91498 -105.78359 6.13140 2.71448 -105.74791 1132.29332
1285.0000 -113.28790 -104.89116 8.39674 2.71229 -105.77687 1053.68644
1290.0000 -113.19445 -106.21708 6.97736 2.64970 -106.60352 1048.21658
1295.0000 -112.41075 -106.04264 6.36811 2.72297 -105.63581 1070.11614
1300.0000 -114.13020 -106.74598 7.38422 2.67168 -106.31327 996.11039
1305.0000 -112.95928 -105.93641 7.02287 2.69500 -106.00517 1039.40670
1310.0000 -111.18885 -104.85092 6.33792 2.72950 -105.54962 1068.29737
1315.0000 -113.65544 -107.27949 6.37595 2.70666 -105.85117 1054.93990
1320.0000 -112.95081 -106.55368 6.39713 2.58187 -107.49944 964.90324
1325.0000 -113.57839 -106.88724 6.69116 2.59312 -107.35079 1012.23407
1330.0000 -110.76988 -104.61893 6.15095 2.73297 -105.50379 1076.41139
1335.0000 -111.75397 -105.20088 6.55309 2.81229 -104.45614 1127.05916
1340.0000 -113.53457 -107.29791 6.23667 2.67112 -106.32063 1040.19028
1345.0000 -112.55883 -106.22615 6.33268 2.62581 -106.91903 968.05304
1350.0000 -112.20617 -106.30642 5.89975 2.65607 -106.51945 991.91326
1355.0000 -110.45305 -102.99708 7.45597 2.71413 -105.75250 1062.10679
1360.0000 -111.76416 -103.75959 8.00457 2.80861 -104.50470 1130.57657
1365.0000 -111.42417 -104.17380 7.25038 2.87359 -103.64652 1139.95351
1370.0000 -111.59609 -103.91166 7.68443 2.85624 -103.87568 1141.65648
1375.0000 -111.62470 -104.94257 6.68213 2.80891 -104.50068 1100.83306
1380.0000 -111.26600 -104.59731 6.66869 2.81824 -104.37749 1140.04092
1385.0000 -112.51246 -105.58979 6.92267 2.76372 -105.09760 1082.30325
1390.0000 -111.99362 -104.53755 7.45607 2.77587 -104.93709 1107.88765
1395.0000 -111.70368 -104.75507 6.94861 2.75063 -105.27049 1044.78609
1400.0000 -112.03875 -104.73584 7.30291 2.76636 -105.06268 1059.89172
1405.0000 -112.71627 -105.10621 7.61007 2.78192 -104.85717 1098.94413
1410.0000 -112.32581 -105.23648 7.08933 2.71424 -105.75109 1063.96706
1415.0000 -111.71247 -104.42012 7.29235 2.80420 -104.56293 1142.49810
1420.0000 -111.94149 -105.82396 6.11753 2.76602 -105.06726 1108.11715
1425.0000 -110.17186 -103.73265 6.43922 2.79155 -104.72996 1108.86487
1430.0000 -110.25706 -103.86897 6.38809 2.86469 -103.76404 1173.31715
1435.0000 -110.86124 -104.38685 6.47439 2.88499 -103.49594 1118.73352
1440.0000 -110.63048 -105.36082 5.26966 2.74480 -105.34744 1066.11172
1445.0000 -112.76999 -105.24292 7.52708 2.76174 -105.12368 1071.18640
1450.0000 -110.13889 -105.80340 4.33549 2.78725 -104.78684 1084.08474
1455.0000 -112.14257 -106.37670 5.76587 2.69253 -106.03791 987.67783
1460.0000 -112.42981 -106.31108 6.11873 2.67214 -106.30717 1000.71597
1465.0000 -111.40569 -104.65059 6.75510 2.71734 -105.71017 1018.73309
1470.0000 -111.92931 -105.20079 6.72851 2.75691 -105.18748 1090.91546
1475.0000 -110.55801 -104.36286 6.19515 2.77507 -104.94772 1115.23085
1480.0000 -113.53493 -106.06478 7.47014 2.74429 -105.35415 1092.87740
1485.0000 -113.47639 -106.49106 6.98532 2.71105 -105.79321 1076.14486
1490.0000 -111.83240 -104.58467 7.24772 2.71762 -105.70646 1076.48272
1495.0000 -111.45380 -104.98775 6.46604 2.78234 -104.85162 1069.28833
1500.0000 -112.86241 -105.50119 7.36122 2.75914 -105.15809 1096.51293
FREEZING PROCESS: loop number 7 T-loop= 1047.0000000000000
main_MD> interactions number 7 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.24132 3.31424 3.78852
force_rgl> df(natom) 0.90278 -2.38644 -0.49103
1505.0000 -112.12490 -106.13798 5.98692 2.73826 -105.43380 1098.84167
1510.0000 -113.08305 -106.07942 7.00363 2.72004 -105.67450 1076.93914
1515.0000 -111.51064 -105.81064 5.70000 2.74272 -105.37491 1083.99239
1520.0000 -112.85897 -106.16258 6.69639 2.61588 -107.05022 985.85279
1525.0000 -111.02408 -104.42061 6.60348 2.73637 -105.45885 1044.77146
1530.0000 -112.18809 -104.52887 7.65922 2.74338 -105.36624 1063.68694
1535.0000 -112.09715 -105.90860 6.18855 2.70649 -105.85340 1013.70526
1540.0000 -113.06697 -107.21006 5.85691 2.62191 -106.97057 961.16833
1545.0000 -112.75027 -106.24767 6.50260 2.67108 -106.32118 998.28098
1550.0000 -112.92997 -107.11772 5.81225 2.60802 -107.15397 982.29236
1555.0000 -112.56516 -107.19527 5.36989 2.64413 -106.67711 973.62299
1560.0000 -114.54116 -108.13997 6.40119 2.58710 -107.43034 945.11952
1565.0000 -114.84069 -108.55298 6.28771 2.52660 -108.22945 889.19036
1570.0000 -112.97716 -106.39713 6.58003 2.60205 -107.23289 999.22878
1575.0000 -113.73733 -106.87995 6.85737 2.64994 -106.60035 1020.83805
1580.0000 -113.89504 -107.00639 6.88865 2.59895 -107.27387 968.14294
1585.0000 -113.07518 -106.69250 6.38267 2.64873 -106.61634 1023.91633
1590.0000 -112.52455 -106.78866 5.73589 2.61792 -107.02332 958.58957
1595.0000 -111.56163 -106.76961 4.79202 2.60671 -107.17139 934.37173
1600.0000 -111.37436 -105.93564 5.43872 2.66474 -106.40492 1010.28419
1605.0000 -112.88880 -107.71325 5.17555 2.60347 -107.21410 1002.82926
1610.0000 -112.87627 -107.10234 5.77393 2.59745 -107.29359 975.56065
1615.0000 -112.65228 -106.19165 6.46063 2.64583 -106.65464 992.96246
1620.0000 -111.52616 -105.88256 5.64361 2.65857 -106.48635 1003.11231
1625.0000 -110.75897 -103.77690 6.98207 2.69908 -105.95131 1041.99219
1630.0000 -111.57359 -103.45743 8.11616 2.85579 -103.88154 1151.34664
1635.0000 -111.84741 -103.99437 7.85304 2.84714 -103.99585 1168.29509
1640.0000 -110.29805 -102.85395 7.44410 2.85406 -103.90435 1113.72686
1645.0000 -110.62969 -103.53582 7.09386 2.88404 -103.50837 1152.16385
1650.0000 -111.86107 -105.67129 6.18978 2.80471 -104.55627 1106.45770
1655.0000 -113.30922 -106.23722 7.07200 2.73127 -105.52613 1084.66463
1660.0000 -112.12447 -106.82301 5.30146 2.70041 -105.93378 1067.12462
1665.0000 -112.81740 -105.46194 7.35545 2.69186 -106.04673 1039.65794
1670.0000 -111.91030 -106.33868 5.57162 2.76456 -105.08645 1089.76490
1675.0000 -111.65479 -105.67090 5.98389 2.67717 -106.24070 1051.21272
1680.0000 -112.84094 -105.81811 7.02283 2.69984 -105.94134 1021.71916
1685.0000 -114.10508 -108.43708 5.66800 2.52114 -108.30153 939.58724
1690.0000 -112.80864 -107.01641 5.79223 2.52788 -108.21243 909.10246
1695.0000 -113.88501 -107.56436 6.32065 2.56635 -107.70435 935.04631
1700.0000 -111.66229 -103.30669 8.35560 2.73668 -105.45470 1070.60496
1705.0000 -111.94601 -103.97167 7.97434 2.88259 -103.52756 1209.24618
1710.0000 -112.46412 -103.47993 8.98420 2.85526 -103.88853 1183.59815
1715.0000 -110.85421 -104.51384 6.34038 2.83777 -104.11959 1114.91162
1720.0000 -113.04576 -107.03573 6.01003 2.70858 -105.82591 992.46391
1725.0000 -113.53804 -105.44675 8.09129 2.64617 -106.65014 1037.84368
1730.0000 -112.57605 -105.25845 7.31760 2.75625 -105.19630 1131.30888
1735.0000 -110.65374 -103.01288 7.64086 2.81444 -104.42764 1130.94289
1740.0000 -110.43890 -103.57137 6.86752 2.89777 -103.32705 1218.92697
1745.0000 -110.87733 -105.17610 5.70123 2.82781 -104.25111 1148.75845
1750.0000 -113.40229 -105.65954 7.74275 2.76066 -105.13796 1106.21668
FREEZING PROCESS: loop number 8 T-loop= 1022.0000000000000
main_MD> interactions number 8 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36968 6.59398 5.59247
force_rgl> df(natom) -2.78058 -0.77039 -0.72434
1755.0000 -113.14954 -106.25317 6.89637 2.67502 -106.26911 1037.22604
1760.0000 -111.94652 -105.52539 6.42113 2.66184 -106.44313 989.11725
1765.0000 -112.85250 -105.34786 7.50465 2.70231 -105.90872 1084.69141
1770.0000 -112.79106 -106.41747 6.37359 2.73143 -105.52401 1116.34336
1775.0000 -112.46313 -106.47979 5.98334 2.69984 -105.94126 1004.64728
1780.0000 -113.10508 -108.35680 4.74829 2.60374 -107.21059 952.98067
1785.0000 -113.69651 -108.23279 5.46371 2.52509 -108.24929 887.46071
1790.0000 -113.31534 -107.37445 5.94089 2.53897 -108.06608 924.27944
1795.0000 -113.54499 -106.67928 6.86571 2.58914 -107.40335 963.90352
1800.0000 -112.53883 -106.11412 6.42471 2.68346 -106.15758 1065.61485
1805.0000 -111.20603 -105.04336 6.16268 2.75443 -105.22034 1115.59144
1810.0000 -111.15561 -104.01440 7.14121 2.82916 -104.23331 1160.72167
1815.0000 -111.71169 -104.96811 6.74358 2.77710 -104.92089 1108.03281
1820.0000 -111.29653 -104.18070 7.11583 2.83129 -104.20518 1119.78200
1825.0000 -112.55509 -105.38485 7.17024 2.78140 -104.86405 1118.59605
1830.0000 -112.56794 -105.98522 6.58271 2.71906 -105.68748 1076.35724
1835.0000 -113.51841 -106.46996 7.04845 2.69320 -106.02894 1039.70580
1840.0000 -113.88450 -107.02769 6.85681 2.60411 -107.20572 969.76578
1845.0000 -112.50454 -106.73658 5.76796 2.61077 -107.11773 1016.50286
1850.0000 -113.68668 -107.92649 5.76019 2.62492 -106.93080 1029.87192
1855.0000 -112.01807 -105.98110 6.03698 2.60423 -107.20410 952.47034
1860.0000 -113.65994 -106.95535 6.70459 2.59310 -107.35114 968.51196
1865.0000 -112.55157 -107.38814 5.16342 2.56846 -107.67658 931.27897
1870.0000 -111.94318 -104.21180 7.73138 2.66403 -106.41427 1030.68921
1875.0000 -109.98779 -103.12058 6.86721 2.89889 -103.31233 1238.99972
1880.0000 -111.37570 -105.29803 6.07767 2.86895 -103.70775 1163.90863
1885.0000 -112.16220 -106.02913 6.13307 2.73739 -105.44542 1038.46259
1890.0000 -111.69827 -105.56902 6.12925 2.70163 -105.91763 1019.43151
1895.0000 -111.63378 -104.44298 7.19080 2.79293 -104.71178 1123.12035
1900.0000 -111.34442 -104.71531 6.62912 2.80004 -104.61789 1116.16460
1905.0000 -111.73635 -106.28130 5.45505 2.70428 -105.88260 1046.32839
1910.0000 -113.11770 -105.81419 7.30351 2.72581 -105.59833 1055.90413
1915.0000 -112.67009 -106.41331 6.25678 2.68507 -106.13642 1025.82607
1920.0000 -111.16182 -105.29098 5.87084 2.68522 -106.13435 1038.20734
1925.0000 -109.71610 -103.68472 6.03138 2.80792 -104.51384 1100.83584
1930.0000 -110.99196 -105.03334 5.95862 2.85942 -103.83366 1120.76743
1935.0000 -112.20053 -104.12777 8.07275 2.78344 -104.83717 1106.27572
1940.0000 -111.87486 -106.14782 5.72704 2.75863 -105.16476 1115.17901
1945.0000 -112.44975 -105.74041 6.70933 2.67372 -106.28623 1030.14110
1950.0000 -113.49015 -106.54423 6.94592 2.71076 -105.79701 1089.06220
1955.0000 -111.87864 -106.62867 5.24997 2.68097 -106.19050 1023.73112
1960.0000 -113.09322 -107.41081 5.68241 2.63052 -106.85680 986.45342
1965.0000 -113.18729 -105.82476 7.36253 2.61475 -107.06521 933.34708
1970.0000 -111.62852 -104.51115 7.11737 2.74056 -105.40352 1055.40643
1975.0000 -111.76421 -106.29435 5.46987 2.76295 -105.10778 1046.04233
1980.0000 -112.17922 -105.86348 6.31574 2.63081 -106.85298 982.12777
1985.0000 -113.46614 -107.32194 6.14419 2.68782 -106.10002 1038.96637
1990.0000 -113.69801 -108.01288 5.68514 2.54978 -107.92321 936.47826
1995.0000 -114.32407 -107.04187 7.28220 2.56954 -107.66223 949.66452
2000.0000 -112.91456 -106.70133 6.21322 2.69512 -106.00368 1017.79287
FREEZING PROCESS: loop number 9 T-loop= 997.00000000000000
main_MD> interactions number 9 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09222 -2.40919 -4.11992
force_rgl> df(natom) -0.49424 -1.33684 0.61616
2005.0000 -113.08842 -107.78633 5.30208 2.58580 -107.44754 971.48831
2010.0000 -115.26592 -108.47876 6.78716 2.52958 -108.19007 912.25545
2015.0000 -113.89190 -107.13875 6.75315 2.51333 -108.40471 919.58464
2020.0000 -113.71137 -107.53264 6.17873 2.61533 -107.05751 1004.28002
2025.0000 -112.99691 -107.79402 5.20289 2.60006 -107.25917 954.37209
2030.0000 -114.30208 -108.15252 6.14956 2.55994 -107.78907 967.70166
2035.0000 -112.60769 -107.13573 5.47196 2.61597 -107.04906 981.56918
2040.0000 -113.93755 -106.90877 7.02878 2.64923 -106.60975 1003.75800
2045.0000 -114.01866 -107.21806 6.80061 2.59503 -107.32556 956.30621
2050.0000 -114.24575 -108.94053 5.30522 2.47123 -108.96075 891.13194
2055.0000 -113.99305 -107.70369 6.28936 2.54483 -107.98860 960.42634
2060.0000 -110.74505 -104.05148 6.69357 2.70275 -105.90289 1062.61843
2065.0000 -112.63429 -105.06643 7.56785 2.83913 -104.10154 1122.52321
2070.0000 -110.94779 -104.34316 6.60463 2.72307 -105.63452 1075.31182
2075.0000 -112.62464 -106.98418 5.64045 2.68327 -106.16016 1057.42611
2080.0000 -113.90007 -109.35846 4.54161 2.49067 -108.70400 894.40835
2085.0000 -114.31565 -105.84316 8.47249 2.62231 -106.96527 991.18893
2090.0000 -113.06889 -107.57141 5.49748 2.64743 -106.63348 984.88837
2095.0000 -112.15638 -106.24131 5.91506 2.71225 -105.77742 1054.80451
2100.0000 -112.93141 -106.77156 6.15985 2.64179 -106.70806 1018.98820
2105.0000 -113.59858 -108.61262 4.98596 2.52282 -108.27934 905.15365
2110.0000 -113.40827 -107.13192 6.27635 2.59720 -107.29692 984.05333
2115.0000 -111.24322 -104.19473 7.04850 2.66021 -106.46470 1039.21195
2120.0000 -111.54244 -105.51191 6.03053 2.74616 -105.32956 1082.38432
2125.0000 -112.38474 -105.04808 7.33666 2.71628 -105.72420 1050.72960
2130.0000 -112.76899 -105.48514 7.28385 2.76696 -105.05484 1112.41994
2135.0000 -112.85768 -106.07350 6.78418 2.72364 -105.62690 1054.68108
2140.0000 -115.18270 -107.87799 7.30471 2.69846 -105.95946 1066.35740
2145.0000 -113.40802 -107.26131 6.14671 2.54549 -107.97985 910.88121
2150.0000 -112.86935 -105.84950 7.01985 2.61631 -107.04452 990.78737
2155.0000 -112.94051 -106.43984 6.50067 2.68197 -106.17734 1093.21825
2160.0000 -113.00763 -107.16294 5.84469 2.65271 -106.56374 995.87376
2165.0000 -112.94666 -106.49809 6.44857 2.60713 -107.16581 945.54536
2170.0000 -112.10442 -106.12644 5.97798 2.65474 -106.53692 984.53627
2175.0000 -112.34293 -105.89350 6.44943 2.72560 -105.60111 1094.47469
2180.0000 -113.09986 -106.76968 6.33018 2.64677 -106.64221 1020.54328
2185.0000 -111.93882 -106.30328 5.63554 2.66229 -106.43721 1015.81844
2190.0000 -111.45501 -105.67141 5.78360 2.67871 -106.22037 1017.50661
2195.0000 -113.82923 -107.45208 6.37715 2.68264 -106.16846 1047.53239
2200.0000 -113.43937 -106.00527 7.43409 2.59284 -107.35451 965.99535
2205.0000 -113.65353 -107.20615 6.44739 2.65938 -106.47575 1001.18637
2210.0000 -113.54382 -107.28427 6.25955 2.60284 -107.22239 945.68529
2215.0000 -114.43838 -109.35923 5.07915 2.54735 -107.95534 921.80453
2220.0000 -114.15954 -108.76581 5.39373 2.46370 -109.06013 891.30288
2225.0000 -113.41980 -107.82957 5.59023 2.53060 -108.17659 928.23039
2230.0000 -113.28706 -106.14845 7.13861 2.65036 -106.59486 1055.43666
2235.0000 -113.17056 -106.74067 6.42989 2.66166 -106.44560 1024.19248
2240.0000 -111.44306 -106.12283 5.32022 2.68664 -106.11568 1042.75135
2245.0000 -113.31280 -106.79129 6.52151 2.71510 -105.73978 1054.39511
2250.0000 -113.83590 -107.31470 6.52120 2.58650 -107.43829 956.01617
FREEZING PROCESS: loop number 10 T-loop= 972.00000000000000
main_MD> interactions number 10 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23922 1.08141 2.31620
force_rgl> df(natom) -1.52151 -0.02452 -0.90472
2255.0000 -113.06021 -107.94131 5.11890 2.61971 -106.99966 948.28676
2260.0000 -112.22847 -105.26980 6.95866 2.64727 -106.63568 995.59911
2265.0000 -112.47423 -105.48149 6.99275 2.74228 -105.38078 1098.71780
2270.0000 -111.94383 -105.83339 6.11044 2.68160 -106.18214 1035.36949
2275.0000 -113.17289 -106.93296 6.23993 2.69061 -106.06324 1012.83440
2280.0000 -111.97940 -106.24689 5.73251 2.62337 -106.95130 978.60634
2285.0000 -112.81902 -106.92213 5.89690 2.64383 -106.68105 987.59072
2290.0000 -114.68771 -107.47830 7.20941 2.58700 -107.43167 967.52026
2295.0000 -114.49045 -109.53819 4.95226 2.46129 -109.09195 894.90511
2300.0000 -114.77682 -108.66566 6.11116 2.44347 -109.32739 874.09309
2305.0000 -112.70864 -105.38838 7.32026 2.63379 -106.81372 1006.71347
2310.0000 -113.60390 -108.14151 5.46239 2.61807 -107.02134 1017.52074
2315.0000 -114.48416 -108.15458 6.32958 2.53437 -108.12678 909.48374
2320.0000 -113.92539 -107.60623 6.31916 2.60856 -107.14685 965.89145
2325.0000 -112.82411 -107.15395 5.67016 2.56410 -107.73410 979.82859
2330.0000 -114.05750 -108.74034 5.31715 2.61168 -107.10569 1003.82572
2335.0000 -113.14644 -106.72939 6.41705 2.54562 -107.97817 930.96759
2340.0000 -113.82901 -108.95125 4.87776 2.53942 -108.06010 927.34445
2345.0000 -114.73053 -108.99138 5.73914 2.47144 -108.95800 873.70394
2350.0000 -113.69369 -108.50277 5.19092 2.54676 -107.96318 932.64428
2355.0000 -114.51864 -107.96231 6.55634 2.55842 -107.80919 974.44169
2360.0000 -114.43432 -109.80299 4.63132 2.52384 -108.26588 968.08566
2365.0000 -114.86699 -109.16782 5.69918 2.42280 -109.60040 808.17110
2370.0000 -114.61553 -108.41866 6.19688 2.51227 -108.41870 938.95353
2375.0000 -115.42620 -109.53914 5.88706 2.45211 -109.21319 906.80398
2380.0000 -113.55641 -107.31765 6.23875 2.52424 -108.26061 914.39447
2385.0000 -114.26200 -106.87899 7.38301 2.67297 -106.29623 1035.71258
2390.0000 -114.21514 -107.54307 6.67206 2.60425 -107.20383 1007.03269
2395.0000 -112.34655 -106.34863 5.99792 2.66426 -106.41127 1031.99903
2400.0000 -114.32718 -108.63478 5.69240 2.56474 -107.72571 960.62016
2405.0000 -113.62420 -108.43741 5.18679 2.57264 -107.62132 960.87616
2410.0000 -111.71045 -106.67678 5.03367 2.64693 -106.64008 989.41247
2415.0000 -110.87614 -105.41840 5.45774 2.65794 -106.49470 1010.17655
2420.0000 -113.09725 -106.06193 7.03532 2.65954 -106.47356 1017.65422
2425.0000 -112.32236 -106.14758 6.17479 2.65166 -106.57767 1020.03261
2430.0000 -111.48702 -105.14143 6.34559 2.75863 -105.16487 1092.48517
2435.0000 -112.19440 -106.69452 5.49988 2.69886 -105.95429 1025.28907
2440.0000 -113.18734 -108.12942 5.05793 2.54315 -108.01085 903.72411
2445.0000 -113.68488 -108.69550 4.98938 2.51330 -108.40512 884.98282
2450.0000 -114.90179 -107.89652 7.00527 2.56424 -107.73231 948.16928
2455.0000 -113.29181 -107.52501 5.76679 2.54713 -107.95824 970.73850
2460.0000 -112.91499 -106.72120 6.19378 2.57010 -107.65484 950.93966
2465.0000 -111.04314 -105.66376 5.37939 2.67577 -106.25925 1040.48928
2470.0000 -113.38071 -106.57396 6.80675 2.67253 -106.30199 987.50155
2475.0000 -113.25141 -107.55327 5.69814 2.60491 -107.19507 987.48657
2480.0000 -113.86750 -107.73158 6.13592 2.52959 -108.18997 912.14202
2485.0000 -115.36941 -110.00903 5.36038 2.46304 -109.06885 868.10562
2490.0000 -112.69728 -106.67168 6.02560 2.56398 -107.73564 938.92954
2495.0000 -112.49431 -107.04445 5.44986 2.60437 -107.20221 915.33682
2500.0000 -113.21804 -106.59688 6.62116 2.67415 -106.28066 1037.80645
FREEZING PROCESS: loop number 11 T-loop= 947.00000000000000
main_MD> interactions number 11 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56158 1.03592 0.94301
force_rgl> df(natom) -3.69004 -2.16595 2.56667
2505.0000 -113.62860 -108.12705 5.50155 2.59858 -107.27873 982.96647
2510.0000 -112.43815 -106.07675 6.36140 2.65306 -106.55921 1030.71016
2515.0000 -113.13609 -107.24789 5.88820 2.62397 -106.94341 1019.70049
2520.0000 -113.54761 -108.17624 5.37137 2.58995 -107.39273 977.33670
2525.0000 -113.53983 -107.66239 5.87743 2.53570 -108.10919 926.69621
2530.0000 -113.50969 -106.84733 6.66236 2.60861 -107.14619 1001.17214
2535.0000 -112.51450 -107.88105 4.63345 2.61323 -107.08524 1003.28439
2540.0000 -112.87697 -106.14801 6.72896 2.66268 -106.43211 993.95786
2545.0000 -112.04162 -104.47209 7.56952 2.77368 -104.96599 1101.31307
2550.0000 -113.35417 -107.41841 5.93576 2.72024 -105.67185 1055.46604
2555.0000 -114.19838 -108.50511 5.69327 2.55826 -107.81126 947.19198
2560.0000 -113.79333 -108.83721 4.95612 2.53559 -108.11066 892.41084
2565.0000 -115.28154 -109.75492 5.52662 2.46097 -109.09619 824.74008
2570.0000 -113.26370 -107.54040 5.72330 2.56309 -107.74742 951.43621
2575.0000 -114.05036 -108.07363 5.97674 2.57322 -107.61365 943.15383
2580.0000 -112.66664 -106.70570 5.96094 2.62472 -106.93349 1007.82929
2585.0000 -112.88900 -105.66517 7.22383 2.66630 -106.38435 1013.35391
2590.0000 -112.22746 -105.98876 6.23870 2.70710 -105.84537 1054.14927
2595.0000 -112.90562 -107.45168 5.45394 2.62709 -106.90214 966.27704
2600.0000 -112.08680 -106.64110 5.44570 2.59269 -107.35649 919.34343
2605.0000 -111.79485 -106.57208 5.22277 2.64861 -106.61787 999.93981
2610.0000 -113.29803 -107.81999 5.47804 2.58422 -107.46834 937.11158
2615.0000 -113.45701 -108.32357 5.13344 2.53839 -108.07364 924.52828
2620.0000 -114.10000 -107.31184 6.78815 2.53452 -108.12475 933.06841
2625.0000 -115.39706 -110.05492 5.34214 2.55226 -107.89056 908.53769
2630.0000 -114.35521 -108.14791 6.20729 2.48622 -108.76277 889.93620
2635.0000 -114.64282 -109.04165 5.60117 2.53128 -108.16764 922.43385
2640.0000 -113.56678 -107.00707 6.55972 2.48399 -108.79215 884.80046
2645.0000 -112.89235 -107.35109 5.54126 2.58948 -107.39888 981.58003
2650.0000 -113.27893 -107.23654 6.04239 2.56581 -107.71148 946.71758
2655.0000 -113.57459 -109.18705 4.38754 2.47274 -108.94081 873.71842
2660.0000 -113.83504 -107.41533 6.41971 2.59495 -107.32663 964.78397
2665.0000 -114.97931 -109.93128 5.04803 2.53644 -108.09942 936.69023
2670.0000 -113.05839 -108.24815 4.81024 2.43201 -109.47878 834.94022
2675.0000 -114.83325 -108.74576 6.08748 2.49362 -108.66498 885.13931
2680.0000 -113.89434 -108.14824 5.74609 2.48534 -108.77433 879.58092
2685.0000 -114.70321 -107.90146 6.80175 2.52270 -108.28087 922.46075
2690.0000 -114.87197 -110.30940 4.56257 2.48036 -108.84013 894.43431
2695.0000 -114.97486 -110.51173 4.46313 2.39950 -109.90809 838.26236
2700.0000 -114.69258 -109.76834 4.92424 2.34936 -110.57038 788.56238
2705.0000 -114.85947 -108.73003 6.12944 2.48813 -108.73745 885.35010
2710.0000 -114.72635 -108.98538 5.74097 2.46600 -109.02976 886.97246
2715.0000 -114.49136 -109.80644 4.68493 2.51692 -108.35731 909.20965
2720.0000 -114.46929 -108.33264 6.13665 2.46626 -109.02642 887.98227
2725.0000 -114.67556 -109.04129 5.63427 2.54209 -108.02483 914.42389
2730.0000 -113.42218 -108.38025 5.04194 2.51409 -108.39467 925.40524
2735.0000 -113.71404 -107.59784 6.11620 2.62533 -106.92544 999.51314
2740.0000 -115.58701 -110.64108 4.94592 2.45595 -109.16250 842.45202
2745.0000 -114.18701 -108.55687 5.63015 2.45102 -109.22770 874.83676
2750.0000 -114.52814 -108.34607 6.18207 2.53037 -108.17959 931.52623
FREEZING PROCESS: loop number 12 T-loop= 922.00000000000000
main_MD> interactions number 12 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.59615 0.67224 -1.65060
force_rgl> df(natom) -0.80284 1.47779 1.73694
2755.0000 -114.81278 -109.54035 5.27244 2.45895 -109.12285 865.82168
2760.0000 -113.35775 -108.51166 4.84608 2.47451 -108.91737 867.75776
2765.0000 -114.13081 -107.53180 6.59900 2.55569 -107.84521 929.79928
2770.0000 -113.25238 -107.10336 6.14902 2.63808 -106.75699 979.65510
2775.0000 -113.07690 -107.50576 5.57113 2.70023 -105.93618 1080.24916
2780.0000 -113.03245 -108.29663 4.73582 2.51152 -108.42864 925.10985
2785.0000 -112.52662 -107.08139 5.44523 2.57573 -107.58055 975.33020
2790.0000 -111.86966 -106.57112 5.29854 2.62569 -106.92071 978.93416
2795.0000 -114.16530 -108.56961 5.59570 2.57814 -107.54872 951.71791
2800.0000 -114.41676 -108.24750 6.16926 2.49722 -108.61746 934.84449
2805.0000 -113.29580 -106.89756 6.39823 2.56308 -107.74752 966.17534
2810.0000 -113.40598 -107.87483 5.53114 2.60630 -107.17672 995.77697
2815.0000 -113.47931 -107.59744 5.88187 2.48975 -108.71607 885.60185
2820.0000 -112.99199 -106.53564 6.45634 2.59805 -107.28577 974.94531
2825.0000 -112.24582 -107.19379 5.05203 2.62105 -106.98198 1011.72597
2830.0000 -114.14805 -107.51630 6.63176 2.60596 -107.18130 979.83422
2835.0000 -113.05996 -106.70735 6.35260 2.56213 -107.76017 941.23796
2840.0000 -113.72819 -107.45559 6.27260 2.64994 -106.60042 1028.86054
2845.0000 -113.47227 -108.38561 5.08666 2.53925 -108.06228 910.33580
2850.0000 -113.58468 -108.51207 5.07261 2.54502 -107.98611 960.72841
2855.0000 -114.93890 -109.34165 5.59725 2.49584 -108.63567 896.30134
2860.0000 -115.08415 -110.13145 4.95270 2.40597 -109.82260 859.67962
2865.0000 -113.50761 -108.42734 5.08026 2.44085 -109.36198 836.32713
2870.0000 -113.65162 -107.87962 5.77200 2.51398 -108.39605 903.56461
2875.0000 -114.21025 -108.19615 6.01410 2.53610 -108.10387 922.76753
2880.0000 -114.24956 -107.87191 6.37765 2.56956 -107.66205 985.22332
2885.0000 -113.12988 -107.76096 5.36892 2.54912 -107.93192 902.12845
2890.0000 -113.91676 -106.89643 7.02033 2.58654 -107.43769 1002.60913
2895.0000 -113.05805 -106.49559 6.56245 2.61643 -107.04301 998.57437
2900.0000 -113.55427 -106.90947 6.64480 2.63485 -106.79960 1009.37400
2905.0000 -112.45577 -107.20920 5.24657 2.56817 -107.68032 931.90209
2910.0000 -114.70230 -108.11623 6.58607 2.61172 -107.10511 999.20870
2915.0000 -112.27926 -106.39469 5.88457 2.60447 -107.20098 949.31329
2920.0000 -112.16416 -106.87820 5.28596 2.63257 -106.82984 1021.29879
2925.0000 -114.44232 -108.65250 5.78982 2.57637 -107.57203 952.93751
2930.0000 -113.83508 -109.20336 4.63172 2.42482 -109.57373 828.72046
2935.0000 -114.64790 -109.08456 5.56333 2.45873 -109.12575 842.76983
2940.0000 -112.42874 -106.71113 5.71761 2.55098 -107.90740 931.75833
2945.0000 -113.93653 -106.96168 6.97486 2.61970 -106.99980 971.77902
2950.0000 -112.20483 -106.36130 5.84353 2.61055 -107.12055 1014.15530
2955.0000 -114.23913 -108.04539 6.19374 2.55508 -107.85320 916.52644
2960.0000 -114.41224 -109.20415 5.20809 2.45554 -109.16791 864.11325
2965.0000 -115.41122 -110.33290 5.07832 2.44282 -109.33590 876.79089
2970.0000 -113.47706 -107.87115 5.60592 2.40873 -109.78620 860.08281
2975.0000 -114.08676 -108.05037 6.03639 2.54683 -107.96223 920.23563
2980.0000 -113.27898 -108.66272 4.61626 2.52328 -108.27327 924.72465
2985.0000 -112.40886 -106.68843 5.72043 2.56056 -107.78082 930.81174
2990.0000 -113.56835 -107.55556 6.01279 2.65484 -106.53567 1000.41362
2995.0000 -113.73309 -108.18283 5.55026 2.53572 -108.10894 927.73264
3000.0000 -113.85814 -108.33840 5.51974 2.57636 -107.57213 916.15554
FREEZING PROCESS: loop number 13 T-loop= 897.00000000000000
main_MD> interactions number 13 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16275 -1.88026 -1.62957
force_rgl> df(natom) -2.27543 0.81956 0.30804
3005.0000 -113.16023 -107.24439 5.91584 2.51249 -108.41576 920.46737
3010.0000 -113.29545 -107.93384 5.36161 2.58648 -107.43851 957.60118
3015.0000 -113.96775 -106.88882 7.07893 2.62278 -106.95915 938.50241
3020.0000 -113.75295 -108.20880 5.54416 2.56622 -107.70607 937.31241
3025.0000 -113.40303 -108.51950 4.88353 2.49981 -108.58323 864.15627
3030.0000 -112.77615 -107.81526 4.96089 2.41958 -109.64295 816.40753
3035.0000 -114.27753 -107.82954 6.44799 2.55383 -107.86970 930.90075
3040.0000 -114.41386 -108.91965 5.49421 2.53522 -108.11557 900.61624
3045.0000 -114.25463 -109.11845 5.13618 2.54202 -108.02580 938.98199
3050.0000 -113.91042 -107.86213 6.04829 2.50078 -108.57046 919.15654
3055.0000 -113.71520 -108.87976 4.83545 2.52257 -108.28267 880.07576
3060.0000 -113.74942 -107.91734 5.83208 2.46774 -109.00678 864.13578
3065.0000 -114.63893 -107.76569 6.87324 2.56542 -107.71666 920.29255
3070.0000 -112.96807 -106.74922 6.21885 2.57675 -107.56701 987.27144
3075.0000 -114.88719 -109.45960 5.42759 2.54611 -107.97173 926.19367
3080.0000 -115.08279 -109.00253 6.08026 2.49819 -108.60459 913.44844
3085.0000 -113.94213 -108.92057 5.02156 2.48315 -108.80323 882.24963
3090.0000 -114.22167 -108.54530 5.67636 2.50757 -108.48077 901.12677
3095.0000 -114.97030 -109.00017 5.97013 2.47955 -108.85086 881.21991
3100.0000 -114.75738 -108.78978 5.96759 2.48404 -108.79154 905.76914
3105.0000 -114.90401 -108.75537 6.14864 2.47956 -108.85067 905.12211
3110.0000 -114.20717 -109.19474 5.01244 2.45243 -109.20898 861.33654
3115.0000 -113.55262 -106.89266 6.65996 2.61173 -107.10500 983.68805
3120.0000 -114.62015 -109.20890 5.41125 2.58863 -107.41013 985.03779
3125.0000 -113.71672 -108.20089 5.51583 2.49435 -108.65533 914.08262
3130.0000 -114.42262 -107.97736 6.44526 2.49782 -108.60958 894.25601
3135.0000 -113.72076 -108.20635 5.51441 2.50678 -108.49121 912.23502
3140.0000 -113.98103 -109.41842 4.56262 2.48816 -108.73706 861.55931
3145.0000 -113.17751 -108.32968 4.84784 2.49022 -108.70985 871.81524
3150.0000 -114.45463 -108.66168 5.79295 2.51146 -108.42932 905.49791
3155.0000 -113.78173 -108.36492 5.41681 2.55344 -107.87486 941.16501
3160.0000 -114.44565 -108.93814 5.50751 2.48710 -108.75108 882.08964
3165.0000 -113.84528 -108.02451 5.82077 2.48709 -108.75119 834.61123
3170.0000 -114.13300 -108.66816 5.46484 2.49094 -108.70033 855.15965
3175.0000 -114.69920 -109.14647 5.55273 2.54101 -108.03905 905.47697
3180.0000 -113.75069 -107.87442 5.87627 2.50869 -108.46597 897.45425
3185.0000 -114.51081 -108.97059 5.54022 2.46598 -109.03005 867.20726
3190.0000 -114.67309 -109.03867 5.63441 2.47344 -108.93155 860.34923
3195.0000 -113.47383 -107.58798 5.88585 2.56607 -107.70813 925.82530
3200.0000 -113.23010 -106.28778 6.94232 2.64629 -106.64862 979.52967
3205.0000 -112.95052 -108.10334 4.84718 2.62988 -106.86530 981.57599
3210.0000 -114.68607 -108.72374 5.96233 2.49754 -108.61323 910.80683
3215.0000 -112.92985 -107.15504 5.77481 2.55707 -107.82694 932.77475
3220.0000 -114.37799 -107.91296 6.46503 2.58261 -107.48959 928.22775
3225.0000 -115.21237 -108.39289 6.81948 2.58898 -107.40557 954.82347
3230.0000 -113.19290 -107.21354 5.97936 2.54570 -107.97712 954.36311
3235.0000 -113.35389 -106.34166 7.01222 2.61100 -107.11469 1017.53268
3240.0000 -114.04323 -109.04190 5.00133 2.55839 -107.80954 965.94291
3245.0000 -114.57339 -108.80248 5.77091 2.44610 -109.29263 848.45155
3250.0000 -114.82427 -109.18367 5.64060 2.46478 -109.04597 882.68612
FREEZING PROCESS: loop number 14 T-loop= 872.00000000000000
main_MD> interactions number 14 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.65150 -1.89127 -1.71871
force_rgl> df(natom) 0.47018 0.16239 -0.66507
3255.0000 -115.09186 -110.27825 4.81361 2.38561 -110.09154 818.29882
3260.0000 -114.35855 -109.34482 5.01374 2.45340 -109.19620 868.99444
3265.0000 -112.22488 -106.96446 5.26042 2.48997 -108.71325 893.34048
3270.0000 -113.64207 -108.99752 4.64456 2.53861 -108.07078 899.99273
3275.0000 -113.46055 -108.57171 4.88884 2.45212 -109.21312 855.03528
3280.0000 -115.10957 -109.77025 5.33932 2.45031 -109.23703 841.43015
3285.0000 -115.05152 -108.82048 6.23105 2.38523 -110.09658 829.86914
3290.0000 -113.53136 -108.06444 5.46692 2.51584 -108.37157 885.23326
3295.0000 -116.12275 -110.69488 5.42788 2.44565 -109.29854 874.32644
3300.0000 -115.71924 -110.39611 5.32313 2.34696 -110.60197 819.13158
3305.0000 -115.18307 -110.25885 4.92421 2.38106 -110.15169 807.95122
3310.0000 -115.46586 -110.24270 5.22317 2.39051 -110.02685 850.23780
3315.0000 -114.64856 -108.67884 5.96972 2.40474 -109.83894 810.86656
3320.0000 -114.25136 -109.22873 5.02263 2.45548 -109.16876 892.98678
3325.0000 -114.53969 -109.21009 5.32960 2.39837 -109.92306 851.68968
3330.0000 -114.47173 -109.50249 4.96925 2.42984 -109.50735 885.28148
3335.0000 -113.69187 -109.08089 4.61098 2.40218 -109.87273 818.60485
3340.0000 -114.48350 -108.99928 5.48422 2.47706 -108.88371 862.42899
3345.0000 -114.21591 -107.62972 6.58619 2.48043 -108.83923 893.50756
3350.0000 -115.32835 -109.90030 5.42805 2.51431 -108.39177 921.70470
3355.0000 -115.10595 -110.14852 4.95743 2.40963 -109.77433 854.03216
3360.0000 -114.81516 -109.22148 5.59368 2.41588 -109.69174 829.52205
3365.0000 -115.08689 -109.16736 5.91953 2.45150 -109.22137 874.97225
3370.0000 -111.95587 -105.96218 5.99370 2.55618 -107.83878 921.94901
3375.0000 -113.52353 -107.43994 6.08359 2.58943 -107.39955 927.41293
3380.0000 -114.03359 -108.45466 5.57893 2.50385 -108.52988 865.98132
3385.0000 -113.86614 -108.37919 5.48695 2.51517 -108.38035 940.52227
3390.0000 -113.77024 -107.82957 5.94067 2.50319 -108.53864 877.00210
3395.0000 -113.19037 -108.74005 4.45033 2.51577 -108.37238 921.00954
3400.0000 -115.48476 -110.06354 5.42122 2.43190 -109.48021 836.30042
3405.0000 -113.27083 -108.09677 5.17407 2.43434 -109.44793 827.37833
3410.0000 -113.68550 -108.27196 5.41354 2.52108 -108.30226 902.15499
3415.0000 -114.41651 -108.91839 5.49812 2.53329 -108.14103 941.25649
3420.0000 -114.81744 -110.16744 4.65000 2.44059 -109.36543 853.75042
3425.0000 -113.71009 -108.86003 4.85007 2.41989 -109.63874 848.26836
3430.0000 -114.94749 -110.61871 4.32878 2.39735 -109.93655 820.15566
3435.0000 -114.73790 -110.45185 4.28605 2.33746 -110.72751 757.88598
3440.0000 -115.81803 -111.33614 4.48189 2.31752 -110.99085 744.13706
3445.0000 -114.71930 -109.05150 5.66780 2.41095 -109.75684 831.11853
3450.0000 -114.95772 -109.78728 5.17043 2.39148 -110.01407 854.18350
3455.0000 -116.49659 -110.64073 5.85585 2.37721 -110.20249 799.07111
3460.0000 -116.53002 -110.25280 6.27722 2.35285 -110.52422 797.71240
3465.0000 -115.52169 -110.82333 4.69836 2.34822 -110.58541 798.56569
3470.0000 -113.26628 -107.69243 5.57385 2.46378 -109.05909 872.69328
3475.0000 -113.45100 -108.80637 4.64463 2.56472 -107.72588 942.38574
3480.0000 -113.24977 -108.03775 5.21201 2.53685 -108.09400 887.63824
3485.0000 -113.11600 -109.00011 4.11590 2.50897 -108.46231 895.13847
3490.0000 -114.28336 -108.60041 5.68295 2.51891 -108.33092 910.46449
3495.0000 -114.08429 -108.90727 5.17702 2.48589 -108.76712 881.69401
3500.0000 -113.78194 -108.55017 5.23177 2.48258 -108.81079 911.18825
FREEZING PROCESS: loop number 15 T-loop= 847.00000000000000
main_MD> interactions number 15 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68840 0.49109 -3.19884
force_rgl> df(natom) -3.00026 0.61193 2.41324
3505.0000 -113.97252 -108.47110 5.50142 2.55412 -107.86591 946.63648
3510.0000 -112.77973 -107.56881 5.21092 2.52642 -108.23182 905.07765
3515.0000 -114.06173 -108.88065 5.18107 2.47521 -108.90821 882.37181
3520.0000 -115.55284 -109.49432 6.05851 2.43046 -109.49918 838.98556
3525.0000 -114.92437 -109.93485 4.98951 2.45064 -109.23267 885.67966
3530.0000 -115.54445 -110.07094 5.47351 2.37120 -110.28182 797.36342
3535.0000 -113.41295 -107.92350 5.48944 2.45974 -109.11250 891.25091
3540.0000 -114.62503 -109.26888 5.35615 2.52902 -108.19738 920.77241
3545.0000 -114.20294 -108.06592 6.13702 2.49634 -108.62909 877.55037
3550.0000 -114.43345 -110.17379 4.25966 2.43665 -109.41747 867.79622
3555.0000 -113.74114 -109.44540 4.29574 2.40150 -109.88172 799.70781
3560.0000 -114.99602 -109.88923 5.10679 2.41813 -109.66198 862.82525
3565.0000 -115.31594 -109.62315 5.69279 2.43686 -109.41466 887.87510
3570.0000 -114.85147 -110.82791 4.02356 2.35008 -110.56078 816.35379
3575.0000 -112.81922 -108.20324 4.61598 2.44550 -109.30059 857.60683
3580.0000 -114.24253 -109.13864 5.10389 2.52650 -108.23071 942.05049
3585.0000 -114.29402 -108.98336 5.31066 2.45398 -109.18852 832.15685
3590.0000 -114.66910 -108.68734 5.98176 2.45687 -109.15033 896.61070
3595.0000 -114.20567 -109.03761 5.16806 2.46611 -109.02838 897.40388
3600.0000 -114.13061 -109.64355 4.48706 2.46504 -109.04244 869.68916
3605.0000 -114.89340 -110.06216 4.83124 2.37354 -110.25094 781.67198
3610.0000 -115.30530 -109.77894 5.52636 2.37170 -110.27532 811.78519
3615.0000 -115.47696 -110.53676 4.94020 2.36191 -110.40454 802.59488
3620.0000 -116.44944 -111.82090 4.62854 2.30718 -111.12749 751.32152
3625.0000 -115.29659 -110.63504 4.66155 2.37723 -110.20219 833.37343
3630.0000 -114.45634 -109.33521 5.12113 2.37005 -110.29703 823.84848
3635.0000 -115.11969 -109.68652 5.43317 2.43265 -109.47025 873.92820
3640.0000 -115.58774 -109.76298 5.82476 2.44256 -109.33932 886.59285
3645.0000 -114.95863 -110.50671 4.45191 2.31246 -111.05766 754.54317
3650.0000 -115.42761 -111.26934 4.15827 2.30730 -111.12592 752.48770
3655.0000 -115.83552 -110.75245 5.08307 2.28479 -111.42322 725.45874
3660.0000 -116.37234 -112.40324 3.96910 2.24744 -111.91644 707.91417
3665.0000 -116.42509 -111.18613 5.23896 2.28269 -111.45089 768.86672
3670.0000 -114.63826 -110.44911 4.18915 2.34713 -110.59973 781.52015
3675.0000 -115.60908 -109.45355 6.15554 2.39816 -109.92581 836.44309
3680.0000 -113.58373 -107.30092 6.28281 2.52476 -108.25368 957.81826
3685.0000 -114.63804 -108.50140 6.13664 2.54006 -108.05161 943.34551
3690.0000 -115.56186 -109.71107 5.85079 2.45906 -109.12147 834.89743
3695.0000 -114.29023 -108.65979 5.63045 2.50046 -108.57463 910.77539
3700.0000 -114.06542 -108.89222 5.17320 2.47600 -108.89768 863.67784
3705.0000 -115.03609 -109.65628 5.37981 2.42298 -109.59796 818.90742
3710.0000 -116.06281 -110.45227 5.61054 2.36780 -110.32676 818.16327
3715.0000 -115.84155 -110.80722 5.03433 2.36565 -110.35514 813.75173
3720.0000 -114.61074 -110.07116 4.53957 2.32089 -110.94637 766.76735
3725.0000 -114.22596 -108.80542 5.42055 2.41365 -109.72126 768.45395
3730.0000 -114.72090 -109.79947 4.92143 2.43029 -109.50140 822.65290
3735.0000 -113.71778 -108.44984 5.26794 2.43114 -109.49021 835.32085
3740.0000 -113.29157 -106.75018 6.54139 2.55974 -107.79171 906.44355
3745.0000 -113.43783 -108.13835 5.29948 2.58793 -107.41936 985.48748
3750.0000 -113.35310 -108.37653 4.97657 2.54013 -108.05070 934.66937
FREEZING PROCESS: loop number 16 T-loop= 822.00000000000000
main_MD> interactions number 16 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.82902 -1.10119 -0.58717
force_rgl> df(natom) -2.21308 0.12275 1.89431
3755.0000 -114.51875 -109.00231 5.51645 2.47200 -108.95059 872.61106
3760.0000 -115.50618 -110.22576 5.28042 2.41028 -109.76570 825.37491
3765.0000 -113.97060 -109.21398 4.75663 2.35092 -110.54968 794.14022
3770.0000 -115.74787 -110.79985 4.94803 2.36659 -110.34278 821.37178
3775.0000 -116.04671 -111.88887 4.15784 2.30685 -111.13177 750.74424
3780.0000 -116.56229 -112.18504 4.37725 2.25786 -111.77889 668.00445
3785.0000 -115.72135 -110.76765 4.95370 2.26544 -111.67868 728.06421
3790.0000 -116.43872 -110.94213 5.49659 2.31497 -111.02461 787.60226
3795.0000 -116.89237 -112.01592 4.87646 2.28830 -111.37679 717.72882
3800.0000 -115.39383 -109.52085 5.87298 2.32540 -110.88682 764.43305
3805.0000 -114.44255 -109.11063 5.33192 2.47907 -108.85712 893.91342
3810.0000 -114.76332 -110.31508 4.44824 2.39663 -109.94606 808.82056
3815.0000 -114.63992 -109.81154 4.82838 2.37552 -110.22486 812.18536
3820.0000 -115.29979 -109.91333 5.38646 2.37543 -110.22600 780.66869
3825.0000 -115.36645 -110.93865 4.42779 2.36757 -110.32977 785.76834
3830.0000 -114.52954 -109.22010 5.30944 2.40642 -109.81672 795.41512
3835.0000 -115.05557 -110.26356 4.79201 2.40521 -109.83274 819.73842
3840.0000 -113.77197 -108.69596 5.07600 2.43772 -109.40335 840.62913
3845.0000 -113.69325 -108.48585 5.20741 2.52174 -108.29357 923.30438
3850.0000 -115.31876 -110.94066 4.37809 2.38754 -110.06601 804.71680
3855.0000 -115.31548 -110.68415 4.63133 2.36044 -110.42405 826.16847
3860.0000 -115.33548 -110.36312 4.97236 2.36387 -110.37869 803.76526
3865.0000 -116.81197 -111.55906 5.25292 2.32134 -110.94043 758.30895
3870.0000 -116.16442 -110.26807 5.89635 2.33977 -110.69703 750.88376
3875.0000 -114.84468 -110.03948 4.80520 2.36145 -110.41067 805.89813
3880.0000 -114.85102 -110.94476 3.90627 2.30322 -111.17975 757.81577
3885.0000 -116.31338 -112.32135 3.99202 2.31006 -111.08935 746.64849
3890.0000 -116.04460 -111.57345 4.47114 2.25948 -111.75746 725.97716
3895.0000 -114.90289 -111.06577 3.83712 2.30403 -111.16908 742.61999
3900.0000 -114.80114 -109.73697 5.06417 2.35399 -110.50919 790.36755
3905.0000 -115.24202 -109.52000 5.72202 2.46501 -109.04286 906.02866
3910.0000 -115.86110 -110.49399 5.36711 2.38485 -110.10154 844.56472
3915.0000 -114.65003 -109.52005 5.12998 2.45033 -109.23670 848.50177
3920.0000 -115.29643 -109.58482 5.71160 2.44506 -109.30636 845.77518
3925.0000 -115.00298 -108.74002 6.26296 2.47389 -108.92556 888.77762
3930.0000 -114.93915 -110.14659 4.79256 2.46754 -109.00951 902.75963
3935.0000 -115.82223 -110.96041 4.86182 2.38020 -110.16307 788.97629
3940.0000 -114.68192 -109.72093 4.96099 2.35095 -110.54932 802.19360
3945.0000 -115.45895 -110.72796 4.73099 2.42037 -109.63240 836.88938
3950.0000 -114.04089 -108.70202 5.33887 2.40034 -109.89700 835.31481
3955.0000 -115.67647 -110.12385 5.55262 2.41332 -109.72558 843.31121
3960.0000 -114.11674 -108.93658 5.18016 2.42294 -109.59853 831.26424
3965.0000 -115.03288 -109.98509 5.04779 2.40869 -109.78668 823.03101
3970.0000 -115.92209 -110.02112 5.90097 2.43266 -109.47011 846.11204
3975.0000 -114.69550 -109.54142 5.15408 2.42048 -109.63103 822.37331
3980.0000 -115.64323 -110.94251 4.70072 2.40003 -109.90113 810.29100
3985.0000 -115.67551 -111.33260 4.34291 2.30209 -111.19471 765.87549
3990.0000 -115.58465 -110.60901 4.97563 2.30949 -111.09689 735.64742
3995.0000 -114.93638 -109.45485 5.48153 2.37103 -110.28416 778.90678
4000.0000 -114.99553 -109.92603 5.06950 2.42108 -109.62311 833.80172
FREEZING PROCESS: loop number 17 T-loop= 797.00000000000000
main_MD> interactions number 17 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.70979 -1.61826 -0.26070
force_rgl> df(natom) -4.59009 -2.32410 5.93300
4005.0000 -115.47300 -110.60797 4.86503 2.38290 -110.12738 825.98929
4010.0000 -115.26264 -110.46271 4.79994 2.37267 -110.26245 810.91160
4015.0000 -114.98003 -110.37941 4.60062 2.35502 -110.49558 790.74941
4020.0000 -115.33639 -110.40521 4.93118 2.35906 -110.44225 799.49306
4025.0000 -115.30432 -110.55422 4.75010 2.37613 -110.21674 794.88907
4030.0000 -114.86622 -109.80056 5.06565 2.39232 -110.00287 819.37042
4035.0000 -114.54404 -109.10463 5.43941 2.42292 -109.59876 822.58768
4040.0000 -115.07560 -109.95092 5.12468 2.40587 -109.82400 837.41216
4045.0000 -115.67660 -110.60909 5.06751 2.39992 -109.90254 798.39188
4050.0000 -115.04880 -110.47618 4.57262 2.34134 -110.67630 758.40316
4055.0000 -114.45520 -110.09224 4.36296 2.37604 -110.21796 781.44994
4060.0000 -114.61145 -108.87498 5.73647 2.39181 -110.00961 820.72772
4065.0000 -114.59111 -109.62811 4.96300 2.45506 -109.17424 878.58436
4070.0000 -114.84861 -110.01453 4.83408 2.37820 -110.18940 797.08632
4075.0000 -115.06175 -108.66505 6.39669 2.46327 -109.06579 875.95530
4080.0000 -115.07253 -108.82682 6.24570 2.50893 -108.46275 913.61183
4085.0000 -115.65959 -110.47526 5.18433 2.45055 -109.23390 855.32912
4090.0000 -115.53274 -109.61153 5.92121 2.43478 -109.44210 865.87075
4095.0000 -116.65038 -111.56039 5.08999 2.32392 -110.90635 769.46613
4100.0000 -115.73847 -110.89323 4.84524 2.32218 -110.92930 744.03044
4105.0000 -115.01521 -109.27376 5.74145 2.37474 -110.23511 788.05414
4110.0000 -115.55409 -110.80251 4.75158 2.37089 -110.28602 812.87395
4115.0000 -115.63203 -110.08406 5.54797 2.36484 -110.36590 802.99584
4120.0000 -115.59104 -110.62933 4.96171 2.28546 -111.41437 767.67994
4125.0000 -116.95547 -111.64792 5.30754 2.33199 -110.79971 768.37442
4130.0000 -114.64249 -109.01872 5.62376 2.33643 -110.74107 773.14807
4135.0000 -115.80645 -111.26165 4.54480 2.39177 -110.01026 792.71872
4140.0000 -116.28264 -112.22198 4.06066 2.27366 -111.57018 744.28320
4145.0000 -115.15518 -111.01965 4.13553 2.26033 -111.74624 739.24231
4150.0000 -116.26031 -110.94853 5.31179 2.30056 -111.21490 731.15585
4155.0000 -114.56545 -110.18324 4.38222 2.32206 -110.93092 764.23099
4160.0000 -115.08802 -109.09340 5.99462 2.46959 -108.98233 881.50657
4165.0000 -115.14993 -109.71500 5.43493 2.45831 -109.13130 894.08960
4170.0000 -114.57735 -109.64226 4.93509 2.41767 -109.66807 817.39326
4175.0000 -115.05304 -110.22841 4.82462 2.40394 -109.84951 851.90062
4180.0000 -114.29661 -108.62728 5.66933 2.43113 -109.49031 854.62673
4185.0000 -113.94386 -108.30245 5.64141 2.50147 -108.56128 877.62218
4190.0000 -115.25449 -110.16866 5.08583 2.44032 -109.36899 834.33284
4195.0000 -115.25337 -109.85885 5.39452 2.38347 -110.11978 820.27214
4200.0000 -115.99016 -111.52779 4.46237 2.36122 -110.41367 800.06471
4205.0000 -115.93559 -111.25005 4.68554 2.33207 -110.79870 767.78756
4210.0000 -115.38909 -111.00976 4.37933 2.34254 -110.66041 785.92088
4215.0000 -114.32316 -109.72099 4.60217 2.34971 -110.56569 790.79764
4220.0000 -113.22755 -108.70530 4.52225 2.53302 -108.14456 917.94885
4225.0000 -113.08850 -107.87889 5.20960 2.47633 -108.89341 869.24001
4230.0000 -115.15827 -110.56649 4.59177 2.45747 -109.14240 902.07214
4235.0000 -115.00455 -110.09369 4.91087 2.36566 -110.35509 783.33698
4240.0000 -115.17289 -110.43571 4.73718 2.36882 -110.31336 797.30488
4245.0000 -116.22758 -111.65534 4.57225 2.31563 -111.01578 747.97672
4250.0000 -115.93944 -111.61765 4.32179 2.28834 -111.37629 747.33327
FREEZING PROCESS: loop number 18 T-loop= 772.00000000000000
main_MD> interactions number 18 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58433 2.21975 -1.08852
force_rgl> df(natom) -0.24029 -0.40491 3.39965
4255.0000 -116.45482 -111.75705 4.69776 2.26038 -111.74554 746.91561
4260.0000 -117.66568 -113.04042 4.62526 2.21157 -112.39020 703.14905
4265.0000 -114.72650 -109.12988 5.59662 2.34393 -110.64201 782.17767
4270.0000 -113.08239 -109.01600 4.06639 2.46542 -109.03748 812.63077
4275.0000 -115.12990 -110.12281 5.00709 2.42026 -109.63395 833.15723
4280.0000 -115.13568 -110.82455 4.31113 2.34189 -110.66899 769.43548
4285.0000 -116.67623 -111.78018 4.89605 2.33501 -110.75986 791.59453
4290.0000 -117.78638 -113.17813 4.60826 2.24663 -111.92711 704.96055
4295.0000 -116.12050 -111.32680 4.79370 2.25808 -111.77593 732.42935
4300.0000 -115.47170 -109.82061 5.65109 2.35828 -110.45251 822.44651
4305.0000 -114.71664 -110.60833 4.10831 2.38339 -110.12093 795.89214
4310.0000 -114.35778 -110.01379 4.34399 2.34541 -110.62257 759.83823
4315.0000 -115.42479 -110.48121 4.94358 2.37776 -110.19528 790.68178
4320.0000 -115.53076 -110.44399 5.08677 2.31764 -110.98923 775.50231
4325.0000 -115.93046 -112.07108 3.85938 2.27577 -111.54236 728.36478
4330.0000 -115.56435 -111.30084 4.26350 2.27815 -111.51089 732.18531
4335.0000 -116.20770 -112.09058 4.11712 2.29579 -111.27790 735.30677
4340.0000 -114.43264 -109.82882 4.60381 2.33113 -110.81107 777.08068
4345.0000 -115.60410 -110.71797 4.88612 2.35663 -110.47430 782.75695
4350.0000 -115.02443 -110.49367 4.53076 2.39276 -109.99713 825.31941
4355.0000 -114.30154 -109.51200 4.78954 2.40861 -109.78772 794.89102
4360.0000 -115.84359 -111.17032 4.67327 2.30822 -111.11371 737.34994
4365.0000 -115.74814 -111.87031 3.87783 2.26892 -111.63274 718.05407
4370.0000 -116.18013 -111.40183 4.77829 2.23952 -112.02111 697.45429
4375.0000 -116.35150 -111.15234 5.19915 2.32543 -110.88639 780.40719
4380.0000 -115.56444 -110.86026 4.70418 2.32173 -110.93521 775.96915
4385.0000 -114.95908 -109.93561 5.02348 2.33606 -110.74600 778.92438
4390.0000 -115.61642 -110.89948 4.71693 2.34684 -110.60364 813.82439
4395.0000 -114.62089 -110.15421 4.46668 2.34971 -110.56570 786.70192
4400.0000 -115.35766 -110.38491 4.97275 2.34338 -110.64933 799.91431
4405.0000 -114.93561 -109.76974 5.16587 2.40315 -109.85986 807.91083
4410.0000 -113.80568 -108.59351 5.21217 2.49834 -108.60265 890.00817
4415.0000 -114.56698 -109.51314 5.05384 2.49690 -108.62172 890.04479
4420.0000 -113.66294 -107.82149 5.84146 2.47466 -108.91547 828.56104
4425.0000 -114.33494 -109.28166 5.05328 2.47810 -108.87001 870.93991
4430.0000 -114.23578 -109.53050 4.70528 2.41674 -109.68040 812.61520
4435.0000 -116.25365 -110.08687 6.16678 2.39010 -110.03227 827.06720
4440.0000 -115.38462 -111.03978 4.34483 2.28659 -111.39943 744.16094
4445.0000 -116.73883 -112.11504 4.62379 2.30613 -111.14125 744.08227
4450.0000 -116.10873 -112.12203 3.98670 2.22083 -112.26786 697.56729
4455.0000 -116.66461 -111.49121 5.17340 2.26150 -111.73078 713.64931
4460.0000 -114.83852 -110.85589 3.98264 2.34508 -110.62682 784.56303
4465.0000 -116.12842 -111.64419 4.48424 2.31229 -111.05996 772.56845
4470.0000 -116.56484 -110.99746 5.56737 2.24630 -111.93149 699.28706
4475.0000 -115.73048 -110.94830 4.78218 2.30361 -111.17453 752.03118
4480.0000 -115.62431 -110.43842 5.18589 2.33762 -110.72542 749.96078
4485.0000 -115.56132 -110.55229 5.00903 2.36722 -110.33441 797.97852
4490.0000 -114.96232 -111.04602 3.91629 2.32151 -110.93822 773.38634
4495.0000 -116.17610 -111.51967 4.65643 2.30896 -111.10398 739.32475
4500.0000 -115.44805 -110.55398 4.89408 2.31082 -111.07930 753.90389
FREEZING PROCESS: loop number 19 T-loop= 747.00000000000000
main_MD> interactions number 19 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52509 -0.20589 -4.04229
force_rgl> df(natom) 0.78765 -0.34601 3.78013
4505.0000 -114.55587 -109.75538 4.80048 2.35856 -110.44876 789.86744
4510.0000 -115.52664 -111.10817 4.41847 2.36290 -110.39147 764.70676
4515.0000 -116.15040 -111.21506 4.93534 2.36973 -110.30130 739.48102
4520.0000 -117.13987 -112.18906 4.95081 2.26847 -111.63866 710.64678
4525.0000 -116.62564 -111.68970 4.93593 2.25650 -111.79676 698.97038
4530.0000 -115.25607 -110.71328 4.54279 2.29036 -111.34961 767.07931
4535.0000 -116.18795 -112.04700 4.14095 2.29084 -111.34325 718.27421
4540.0000 -116.79409 -112.57257 4.22152 2.27927 -111.49600 675.61020
4545.0000 -115.89505 -111.12156 4.77349 2.26453 -111.69077 709.46657
4550.0000 -116.14055 -112.44943 3.69111 2.26026 -111.74715 705.25064
4555.0000 -115.02147 -110.31579 4.70568 2.30217 -111.19357 754.31225
4560.0000 -116.10008 -110.77199 5.32810 2.31214 -111.06195 767.76844
4565.0000 -116.42667 -112.73489 3.69179 2.25404 -111.82929 701.23684
4570.0000 -116.83006 -112.61188 4.21818 2.21072 -112.40139 677.76239
4575.0000 -116.97393 -113.20631 3.76763 2.16613 -112.99035 683.69173
4580.0000 -116.33168 -111.36692 4.96476 2.21378 -112.36106 682.14958
4585.0000 -115.81637 -111.09917 4.71720 2.24838 -111.90408 713.03987
4590.0000 -115.03384 -111.29829 3.73555 2.31214 -111.06194 775.97289
4595.0000 -115.94492 -111.87232 4.07261 2.27818 -111.51052 751.20568
4600.0000 -115.88928 -111.04394 4.84533 2.28707 -111.39300 734.24221
4605.0000 -115.21857 -111.07471 4.14386 2.31289 -111.05204 708.82308
4610.0000 -116.50234 -113.11523 3.38711 2.24847 -111.90292 674.44732
4615.0000 -116.81139 -112.47891 4.33248 2.15605 -113.12348 618.70962
4620.0000 -115.34687 -110.75706 4.58981 2.24925 -111.89260 727.92585
4625.0000 -115.23698 -111.13163 4.10534 2.28991 -111.35555 755.07159
4630.0000 -116.03722 -112.07722 3.96000 2.28721 -111.39125 764.28751
4635.0000 -115.63270 -111.74849 3.88421 2.23437 -112.08911 711.50342
4640.0000 -116.10827 -111.87000 4.23827 2.24556 -111.94124 691.43152
4645.0000 -116.70801 -112.40481 4.30320 2.23177 -112.12347 709.24124
4650.0000 -116.28811 -112.19652 4.09159 2.23544 -112.07499 720.46133
4655.0000 -116.23312 -110.32535 5.90777 2.30327 -111.17904 740.06021
4660.0000 -115.16437 -110.80214 4.36224 2.35925 -110.43972 774.35333
4665.0000 -115.59803 -110.89655 4.70148 2.33840 -110.71515 749.94235
4670.0000 -115.76979 -110.62896 5.14083 2.33338 -110.78140 776.82147
4675.0000 -115.28475 -110.53337 4.75138 2.34012 -110.69234 797.21928
4680.0000 -115.87036 -111.76970 4.10066 2.32454 -110.89820 756.60580
4685.0000 -115.14599 -111.01445 4.13154 2.24916 -111.89380 727.53983
4690.0000 -115.08635 -111.03978 4.04657 2.35296 -110.52279 784.80679
4695.0000 -115.06388 -110.00345 5.06042 2.36198 -110.40360 804.31001
4700.0000 -116.10415 -111.11507 4.98908 2.36225 -110.40008 795.21117
4705.0000 -116.58843 -111.81402 4.77442 2.29979 -111.22508 758.77321
4710.0000 -116.46302 -112.11536 4.34766 2.23222 -112.11748 722.03241
4715.0000 -116.23071 -111.84392 4.38680 2.22481 -112.21530 695.94199
4720.0000 -116.18681 -111.65972 4.52709 2.25231 -111.85211 695.47321
4725.0000 -116.93663 -112.17634 4.76029 2.24386 -111.96369 699.37680
4730.0000 -115.59008 -111.35606 4.23402 2.23273 -112.11074 723.22301
4735.0000 -115.55199 -111.28880 4.26320 2.28602 -111.40687 719.16539
4740.0000 -117.37463 -112.32694 5.04769 2.22817 -112.17099 674.55811
4745.0000 -115.27307 -111.04068 4.23239 2.23731 -112.05026 682.86011
4750.0000 -115.72513 -111.04220 4.68293 2.30465 -111.16085 728.48284
FREEZING PROCESS: loop number 20 T-loop= 722.00000000000000
main_MD> interactions number 20 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.66180 -0.54520 -0.17361
force_rgl> df(natom) -1.57375 1.33644 -0.31488
4755.0000 -116.11737 -111.78087 4.33650 2.29058 -111.34672 757.90770
4760.0000 -115.41378 -110.42536 4.98843 2.31232 -111.05960 757.28454
4765.0000 -116.37550 -112.52425 3.85125 2.28253 -111.45298 726.75672
4770.0000 -114.93715 -109.59747 5.33968 2.29703 -111.26150 742.76942
4775.0000 -116.19804 -110.49995 5.69808 2.39227 -110.00359 826.63300
4780.0000 -115.00271 -111.15171 3.85100 2.29773 -111.25231 728.95201
4785.0000 -115.01352 -109.78996 5.22356 2.37912 -110.17722 781.47874
4790.0000 -115.65869 -111.26879 4.38989 2.35020 -110.55925 768.23724
4795.0000 -114.86497 -110.12667 4.73830 2.36171 -110.40718 795.74518
4800.0000 -114.72955 -109.90087 4.82868 2.37257 -110.26377 789.44679
4805.0000 -115.47889 -111.05425 4.42464 2.37673 -110.20884 790.83268
4810.0000 -116.04410 -111.40213 4.64197 2.26957 -111.62421 721.95748
4815.0000 -116.49294 -111.55005 4.94289 2.28173 -111.46360 706.81796
4820.0000 -116.61442 -111.89914 4.71527 2.25728 -111.78650 707.96248
4825.0000 -116.89717 -112.19377 4.70340 2.22041 -112.27345 685.49242
4830.0000 -116.45406 -111.75706 4.69700 2.27711 -111.52466 728.22907
4835.0000 -116.95101 -112.65274 4.29826 2.18680 -112.71740 681.21174
4840.0000 -116.13450 -112.73521 3.39929 2.21902 -112.29189 693.09509
4845.0000 -116.86189 -111.85436 5.00754 2.20819 -112.43485 673.16204
4850.0000 -115.60474 -111.60307 4.00167 2.25791 -111.77820 690.53136
4855.0000 -117.18297 -112.75918 4.42380 2.26012 -111.74900 722.88256
4860.0000 -116.18795 -112.39966 3.78828 2.24004 -112.01419 680.85162
4865.0000 -114.82796 -110.25398 4.57398 2.32402 -110.90497 761.81838
4870.0000 -115.22603 -109.89521 5.33082 2.36873 -110.31455 797.30913
4875.0000 -116.18994 -111.41072 4.77921 2.34742 -110.59592 767.04430
4880.0000 -115.36610 -111.05564 4.31046 2.29600 -111.27506 742.86803
4885.0000 -116.25936 -112.26752 3.99184 2.29426 -111.29804 714.44969
4890.0000 -116.90447 -112.12512 4.77935 2.23325 -112.10387 688.63552
4895.0000 -117.30956 -113.18988 4.11969 2.21588 -112.33332 690.60001
4900.0000 -115.98064 -111.31619 4.66445 2.24578 -111.93845 718.52283
4905.0000 -114.93318 -110.41248 4.52070 2.36225 -110.40010 816.03781
4910.0000 -115.99076 -111.71338 4.27738 2.33328 -110.78272 779.10428
4915.0000 -115.83938 -110.27747 5.56191 2.30745 -111.12383 759.62355
4920.0000 -115.34160 -110.27461 5.06699 2.38489 -110.10104 801.82090
4925.0000 -115.67938 -110.23155 5.44783 2.34631 -110.61056 775.77145
4930.0000 -115.42607 -110.68772 4.73835 2.30942 -111.09784 765.77404
4935.0000 -113.74647 -109.47901 4.26745 2.36119 -110.41406 809.53558
4940.0000 -114.30120 -109.34648 4.95472 2.44046 -109.36716 833.44589
4945.0000 -114.81491 -109.65873 5.15617 2.47391 -108.92537 855.41528
4950.0000 -116.19067 -111.72486 4.46581 2.32949 -110.83275 729.30038
4955.0000 -116.25892 -111.98001 4.27891 2.25069 -111.87360 688.36062
4960.0000 -116.41753 -112.09469 4.32284 2.28180 -111.46266 731.37812
4965.0000 -116.65039 -112.02270 4.62769 2.22460 -112.21814 705.02962
4970.0000 -115.86068 -112.19132 3.66936 2.27916 -111.49750 765.88959
4975.0000 -116.50710 -111.70509 4.80201 2.25135 -111.86479 712.74061
4980.0000 -117.14943 -110.83423 6.31519 2.31758 -110.99014 790.17385
4985.0000 -116.45969 -111.75792 4.70177 2.31376 -111.04052 753.29230
4990.0000 -115.84670 -112.14744 3.69926 2.28865 -111.37223 741.80957
4995.0000 -116.14585 -112.39865 3.74720 2.22848 -112.16690 692.27435
5000.0000 -115.93645 -112.17758 3.75888 2.22420 -112.22346 652.75245
FREEZING PROCESS: loop number 21 T-loop= 697.00000000000000
main_MD> interactions number 21 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55092 -3.42291 0.46249
force_rgl> df(natom) 0.06830 1.03627 1.77806
5005.0000 -116.45662 -112.63161 3.82502 2.17815 -112.83157 627.55259
5010.0000 -116.98112 -112.12075 4.86037 2.21583 -112.33402 642.08678
5015.0000 -116.44852 -111.46372 4.98480 2.25349 -111.83658 718.01215
5020.0000 -114.65593 -110.55195 4.10398 2.37112 -110.28289 797.80573
5025.0000 -115.94017 -111.03976 4.90041 2.31235 -111.05914 741.85989
5030.0000 -116.79864 -112.69855 4.10009 2.23134 -112.12917 684.78121
5035.0000 -117.32584 -112.17023 5.15561 2.19884 -112.55841 662.26328
5040.0000 -117.09036 -112.58366 4.50670 2.21330 -112.36732 666.92291
5045.0000 -116.43566 -111.83683 4.59883 2.21529 -112.34115 689.86235
5050.0000 -115.76178 -111.19430 4.56748 2.24617 -111.93323 698.03206
5055.0000 -116.56524 -111.90822 4.65702 2.28573 -111.41075 721.68282
5060.0000 -116.63920 -111.49430 5.14490 2.24920 -111.89324 672.80870
5065.0000 -117.13830 -112.95900 4.17930 2.21594 -112.33250 685.41966
5070.0000 -116.10722 -112.18282 3.92441 2.21096 -112.39824 672.35180
5075.0000 -115.76307 -112.17759 3.58548 2.18408 -112.75336 633.27926
5080.0000 -115.98718 -111.47602 4.51116 2.29160 -111.33317 731.58583
5085.0000 -116.35470 -111.83749 4.51721 2.24463 -111.95359 724.79337
5090.0000 -115.96791 -111.83977 4.12814 2.26177 -111.72717 724.44606
5095.0000 -116.78357 -112.67843 4.10514 2.21709 -112.31726 670.02727
5100.0000 -117.14023 -112.39178 4.74845 2.18657 -112.72043 666.39897
5105.0000 -116.86696 -111.93403 4.93293 2.24863 -111.90079 714.78533
5110.0000 -115.90302 -111.22432 4.67870 2.26088 -111.73889 726.70838
5115.0000 -116.55937 -111.89213 4.66724 2.21880 -112.29479 706.94896
5120.0000 -115.31623 -111.09145 4.22478 2.26694 -111.65885 736.13085
5125.0000 -116.61051 -112.57891 4.03160 2.25680 -111.79283 720.44784
5130.0000 -117.11762 -112.66241 4.45521 2.16981 -112.94181 653.69558
5135.0000 -116.95923 -112.97935 3.97988 2.19288 -112.63702 671.92578
5140.0000 -117.16663 -112.58600 4.58063 2.22630 -112.19562 725.52870
5145.0000 -116.94107 -112.37971 4.56136 2.19964 -112.54780 683.71163
5150.0000 -116.55622 -111.87367 4.68254 2.27994 -111.48725 761.57784
5155.0000 -116.44772 -111.98692 4.46080 2.26723 -111.65509 711.08034
5160.0000 -116.29141 -112.77594 3.51548 2.20214 -112.51476 685.00302
5165.0000 -117.11982 -112.69607 4.42374 2.19288 -112.63713 667.99679
5170.0000 -116.02558 -112.91237 3.11321 2.18336 -112.76284 635.92070
5175.0000 -116.60361 -111.78424 4.81938 2.20113 -112.52809 655.00802
5180.0000 -115.90489 -111.29240 4.61249 2.23262 -112.11220 668.50264
5185.0000 -115.69341 -111.28509 4.40832 2.29936 -111.23074 723.88808
5190.0000 -116.94390 -112.97068 3.97323 2.21684 -112.32061 677.77151
5195.0000 -116.73974 -112.18647 4.55327 2.19633 -112.59148 661.60482
5200.0000 -114.78204 -110.33721 4.44484 2.29361 -111.30672 752.67445
5205.0000 -114.31838 -109.57802 4.74037 2.38326 -110.12266 800.42295
5210.0000 -116.39720 -111.61555 4.78164 2.33448 -110.76691 777.73832
5215.0000 -116.58478 -110.28012 6.30467 2.37088 -110.28614 798.13616
5220.0000 -116.36668 -112.54541 3.82126 2.28318 -111.44445 746.00076
5225.0000 -115.50191 -110.30376 5.19814 2.26649 -111.66492 708.68645
5230.0000 -116.50094 -111.88858 4.61236 2.25956 -111.75641 696.93485
5235.0000 -116.78202 -112.78560 3.99643 2.21731 -112.31438 703.95536
5240.0000 -115.84671 -111.92271 3.92400 2.25331 -111.83889 713.96484
5245.0000 -116.98150 -112.68061 4.30089 2.19882 -112.55867 701.58100
5250.0000 -117.75034 -112.58475 5.16559 2.19590 -112.59719 680.37095
FREEZING PROCESS: loop number 22 T-loop= 672.00000000000000
main_MD> interactions number 22 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.77624 -1.18762 -2.29550
force_rgl> df(natom) 1.25272 -2.05982 2.37415
5255.0000 -117.08151 -112.90416 4.17735 2.18331 -112.76347 655.96982
5260.0000 -116.26714 -111.40664 4.86050 2.24018 -112.01233 705.27928
5265.0000 -116.71045 -113.02703 3.68342 2.24269 -111.97923 695.83704
5270.0000 -116.51601 -112.34386 4.17215 2.21705 -112.31781 698.24194
5275.0000 -117.27765 -113.15412 4.12353 2.16739 -112.97378 650.98075
5280.0000 -116.82686 -113.09075 3.73612 2.17769 -112.83770 644.55104
5285.0000 -117.55139 -113.39825 4.15314 2.14982 -113.20576 635.47585
5290.0000 -117.30514 -113.77911 3.52604 2.12886 -113.48262 623.06330
5295.0000 -116.37502 -112.89153 3.48350 2.15214 -113.17520 622.59027
5300.0000 -116.52468 -112.27525 4.24943 2.20799 -112.43754 674.49462
5305.0000 -115.90549 -112.25946 3.64603 2.24957 -111.88833 702.25268
5310.0000 -116.63277 -112.86158 3.77119 2.20842 -112.43187 704.31666
5315.0000 -116.26890 -111.97250 4.29640 2.23298 -112.10739 694.01592
5320.0000 -116.98538 -112.03999 4.94540 2.24047 -112.00850 715.35474
5325.0000 -117.53379 -113.06960 4.46418 2.19034 -112.67062 681.08010
5330.0000 -117.50629 -113.47835 4.02793 2.11580 -113.65508 598.25566
5335.0000 -117.08960 -112.64689 4.44271 2.14931 -113.21257 621.32593
5340.0000 -115.97381 -111.53711 4.43670 2.22314 -112.23736 663.99711
5345.0000 -116.80323 -113.46749 3.33574 2.22344 -112.23351 665.33647
5350.0000 -115.42183 -112.00931 3.41252 2.17958 -112.81277 633.51894
5355.0000 -116.16776 -112.12136 4.04640 2.26891 -111.63288 711.84490
5360.0000 -116.54523 -112.02345 4.52177 2.25882 -111.76612 731.95999
5365.0000 -117.36933 -112.67525 4.69408 2.19870 -112.56022 667.39477
5370.0000 -116.58947 -112.92864 3.66083 2.21014 -112.40909 677.53932
5375.0000 -117.00025 -112.02528 4.97497 2.19662 -112.58771 677.51474
5380.0000 -116.29832 -112.03256 4.26576 2.23432 -112.08975 706.04725
5385.0000 -115.28651 -110.88522 4.40129 2.29131 -111.33711 746.16933
5390.0000 -115.52778 -111.88901 3.63877 2.31298 -111.05086 742.73469
5395.0000 -116.47608 -112.59595 3.88014 2.22754 -112.17924 681.66635
5400.0000 -116.54697 -112.48822 4.05875 2.20421 -112.48748 691.29444
5405.0000 -116.81862 -112.67948 4.13913 2.21848 -112.29894 695.62906
5410.0000 -116.31846 -113.07252 3.24594 2.14755 -113.23581 604.71443
5415.0000 -116.95800 -112.16067 4.79734 2.16450 -113.01198 617.09235
5420.0000 -116.85005 -112.11509 4.73497 2.23076 -112.13675 695.82641
5425.0000 -116.67000 -112.81134 3.85866 2.22753 -112.17939 664.51136
5430.0000 -115.61807 -110.81610 4.80197 2.22267 -112.24356 665.76405
5435.0000 -116.28556 -111.91543 4.37012 2.27930 -111.49571 712.38793
5440.0000 -116.18830 -112.07507 4.11323 2.24683 -111.92458 694.37786
5445.0000 -115.73119 -112.32992 3.40127 2.23377 -112.09698 667.14102
5450.0000 -116.56482 -113.19717 3.36766 2.19388 -112.62390 659.58165
5455.0000 -117.09942 -112.58195 4.51747 2.18345 -112.76167 635.34314
5460.0000 -117.00913 -113.34698 3.66216 2.17408 -112.88532 648.39244
5465.0000 -116.44917 -112.71063 3.73855 2.16220 -113.04231 669.25382
5470.0000 -117.47647 -113.24588 4.23060 2.17318 -112.89727 635.47606
5475.0000 -117.07141 -113.05338 4.01802 2.15294 -113.16458 638.50971
5480.0000 -117.10702 -113.15658 3.95044 2.14446 -113.27661 654.89420
5485.0000 -116.83763 -113.13835 3.69928 2.13917 -113.34641 613.33682
5490.0000 -116.69160 -112.30208 4.38952 2.18133 -112.78967 636.04035
5495.0000 -116.03484 -112.32014 3.71469 2.20786 -112.43929 657.10040
5500.0000 -116.32653 -111.81665 4.50988 2.23099 -112.13368 683.51013
FREEZING PROCESS: loop number 23 T-loop= 647.00000000000000
main_MD> interactions number 23 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.48379 0.03639 -3.37357
force_rgl> df(natom) -0.99649 3.18317 7.54722
5505.0000 -116.82522 -111.97952 4.84570 2.25512 -111.81502 704.90204
5510.0000 -117.11133 -112.09835 5.01298 2.26477 -111.68764 720.72846
5515.0000 -116.85900 -112.64760 4.21141 2.23012 -112.14520 697.37634
5520.0000 -116.02990 -112.78202 3.24787 2.17573 -112.86360 633.99078
5525.0000 -116.55070 -112.48408 4.06662 2.18304 -112.76711 656.56936
5530.0000 -116.79056 -112.28959 4.50098 2.17032 -112.93511 622.70286
5535.0000 -116.60940 -112.09943 4.50996 2.24804 -111.90857 696.36823
5540.0000 -116.57368 -112.15103 4.42265 2.24873 -111.89939 704.47975
5545.0000 -116.68608 -112.34827 4.33780 2.22693 -112.18732 697.51488
5550.0000 -116.74506 -112.63646 4.10860 2.17731 -112.84277 648.75403
5555.0000 -117.36220 -112.89844 4.46376 2.16761 -112.97083 632.69264
5560.0000 -117.51654 -114.01758 3.49896 2.15515 -113.13539 642.15931
5565.0000 -117.26346 -113.52453 3.73893 2.10867 -113.74925 603.31453
5570.0000 -116.88072 -113.30456 3.57616 2.13322 -113.42508 637.21843
5575.0000 -116.67559 -113.17656 3.49903 2.15082 -113.19263 638.99705
5580.0000 -116.96358 -112.51189 4.45170 2.17112 -112.92446 660.26543
5585.0000 -118.28959 -113.59389 4.69570 2.17289 -112.90109 685.23375
5590.0000 -117.67462 -114.10311 3.57152 2.12132 -113.58220 637.11580
5595.0000 -116.77253 -112.83375 3.93878 2.15694 -113.11177 642.41785
5600.0000 -117.36044 -113.68836 3.67209 2.09510 -113.92855 595.79054
5605.0000 -116.28126 -112.23426 4.04700 2.16357 -113.02422 659.67603
5610.0000 -116.33118 -112.62171 3.70948 2.20985 -112.41300 687.92352
5615.0000 -115.66534 -111.89319 3.77215 2.23550 -112.07422 684.60031
5620.0000 -116.12422 -111.54566 4.57855 2.23762 -112.04622 697.68030
5625.0000 -116.22989 -111.55038 4.67951 2.23118 -112.13128 700.45356
5630.0000 -116.72799 -112.58718 4.14081 2.22737 -112.18155 676.88057
5635.0000 -116.63652 -112.88763 3.74889 2.16639 -112.98700 645.31944
5640.0000 -115.94227 -112.14719 3.79508 2.16256 -113.03749 633.32021
5645.0000 -116.55254 -112.31707 4.23548 2.21530 -112.34097 710.12278
5650.0000 -115.42622 -111.89574 3.53048 2.20739 -112.44541 667.02437
5655.0000 -116.56474 -112.02865 4.53609 2.23909 -112.02671 714.82615
5660.0000 -117.18279 -113.03143 4.15136 2.20015 -112.54110 682.31820
5665.0000 -115.74993 -111.04881 4.70112 2.25366 -111.83427 693.58894
5670.0000 -116.22225 -111.91468 4.30757 2.27109 -111.60416 705.60021
5675.0000 -115.16629 -110.44097 4.72532 2.27540 -111.54717 720.93898
5680.0000 -115.89717 -112.23265 3.66452 2.25452 -111.82296 691.63906
5685.0000 -117.14874 -112.53144 4.61730 2.20909 -112.42298 686.89956
5690.0000 -117.15945 -113.13465 4.02480 2.17765 -112.83829 644.42089
5695.0000 -117.12851 -113.26217 3.86634 2.15721 -113.10819 646.96736
5700.0000 -115.78194 -112.16053 3.62141 2.21726 -112.31511 668.68157
5705.0000 -116.41543 -111.66734 4.74809 2.25835 -111.77236 685.05592
5710.0000 -116.73201 -111.62136 5.11065 2.26857 -111.63733 729.47856
5715.0000 -116.43350 -111.85471 4.57878 2.28519 -111.41786 739.12028
5720.0000 -117.28092 -113.24257 4.03835 2.18032 -112.80296 665.91084
5725.0000 -117.10289 -113.42082 3.68207 2.16190 -113.04625 638.33404
5730.0000 -117.46221 -113.93576 3.52645 2.12627 -113.51679 591.61562
5735.0000 -117.66345 -113.95320 3.71025 2.06989 -114.26156 572.00242
5740.0000 -116.88785 -113.11818 3.76968 2.10292 -113.82519 594.75103
5745.0000 -118.31807 -114.82818 3.48989 2.05736 -114.42693 567.98422
5750.0000 -116.82777 -113.70410 3.12367 2.07911 -114.13967 581.08086
FREEZING PROCESS: loop number 24 T-loop= 622.00000000000000
main_MD> interactions number 24 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.45961 -0.90149 -0.61043
force_rgl> df(natom) -0.34562 0.38464 3.25146
5755.0000 -117.48203 -113.37634 4.10569 2.15455 -113.14335 666.50961
5760.0000 -116.80568 -112.89908 3.90660 2.19933 -112.55194 698.46112
5765.0000 -117.28720 -113.35177 3.93543 2.16605 -112.99146 655.91925
5770.0000 -116.87536 -113.73175 3.14360 2.11512 -113.66412 585.52227
5775.0000 -117.51584 -112.91135 4.60450 2.13758 -113.36740 618.56210
5780.0000 -117.04347 -113.38689 3.65658 2.14148 -113.31591 628.99357
5785.0000 -116.25375 -112.38077 3.87298 2.18958 -112.68066 684.85811
5790.0000 -116.43695 -112.47467 3.96228 2.19588 -112.59742 659.32007
5795.0000 -116.91575 -113.29587 3.61988 2.19087 -112.66366 654.24157
5800.0000 -116.99396 -112.88719 4.10677 2.14942 -113.21102 642.82619
5805.0000 -116.48023 -112.61665 3.86358 2.21455 -112.35092 690.99222
5810.0000 -115.48756 -111.95259 3.53496 2.20564 -112.46857 635.19250
5815.0000 -116.51417 -111.97097 4.54320 2.22124 -112.26253 693.48998
5820.0000 -117.38208 -112.26290 5.11919 2.24415 -111.95990 703.37308
5825.0000 -118.00340 -113.69666 4.30675 2.15977 -113.07437 630.92476
5830.0000 -118.38081 -115.17362 3.20720 2.04084 -114.64523 551.45532
5835.0000 -117.59186 -114.64258 2.94928 2.05702 -114.43143 579.26551
5840.0000 -117.44144 -113.71466 3.72677 2.03901 -114.66941 558.28461
5845.0000 -116.94527 -113.97977 2.96549 2.08100 -114.11477 585.47012
5850.0000 -117.72564 -114.14479 3.58085 2.07178 -114.23649 564.97370
5855.0000 -118.29576 -115.29591 2.99985 2.03766 -114.68724 516.33798
5860.0000 -117.17829 -113.26015 3.91813 2.05111 -114.50948 544.45016
5865.0000 -117.04203 -113.55937 3.48266 2.12886 -113.48265 622.32879
5870.0000 -116.76726 -112.77760 3.98966 2.15473 -113.14095 629.74185
5875.0000 -116.89382 -112.44033 4.45349 2.18991 -112.67634 653.66652
5880.0000 -116.28228 -112.40076 3.88152 2.25350 -111.83638 673.31521
5885.0000 -117.44549 -112.50423 4.94125 2.23773 -112.04471 681.42938
5890.0000 -117.06773 -113.16833 3.89940 2.22721 -112.18364 688.67243
5895.0000 -116.41797 -112.03831 4.37966 2.15880 -113.08723 667.07427
5900.0000 -116.59866 -113.37278 3.22588 2.18547 -112.73499 652.39344
5905.0000 -118.23497 -114.95337 3.28161 2.04972 -114.52791 544.45075
5910.0000 -117.08206 -113.77703 3.30503 2.09600 -113.91663 591.70766
5915.0000 -117.12382 -113.22323 3.90059 2.14486 -113.27133 610.22994
5920.0000 -115.94523 -111.83555 4.10968 2.20956 -112.41684 668.68019
5925.0000 -116.51420 -113.15802 3.35618 2.20847 -112.43112 641.77972
5930.0000 -116.51511 -112.69309 3.82202 2.17170 -112.91682 651.41112
5935.0000 -116.25697 -112.38258 3.87439 2.17120 -112.92347 651.49719
5940.0000 -117.29656 -113.33829 3.95827 2.15235 -113.17238 614.12457
5945.0000 -118.19469 -115.07309 3.12160 2.08358 -114.08066 568.67395
5950.0000 -117.72535 -113.58904 4.13631 2.07379 -114.20994 563.24109
5955.0000 -117.74564 -113.28440 4.46124 2.15206 -113.17620 636.63830
5960.0000 -117.58515 -113.55536 4.02978 2.12338 -113.55503 603.43037
5965.0000 -116.99945 -113.31800 3.68145 2.15641 -113.11871 647.29413
5970.0000 -117.21904 -113.47136 3.74768 2.14270 -113.29982 583.22166
5975.0000 -117.36206 -113.63021 3.73185 2.08791 -114.02350 571.02402
5980.0000 -117.85137 -114.19529 3.65608 2.11804 -113.62556 620.60434
5985.0000 -118.69562 -114.45371 4.24191 2.07691 -114.16880 600.41917
5990.0000 -118.15751 -114.42551 3.73200 2.06122 -114.37596 583.51432
5995.0000 -117.66560 -114.07678 3.58883 2.05396 -114.47190 573.27081
6000.0000 -117.82789 -113.61713 4.21077 2.08728 -114.03187 601.79145
FREEZING PROCESS: loop number 25 T-loop= 597.00000000000000
main_MD> interactions number 25 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.15489 3.55194 -0.31408
force_rgl> df(natom) 1.60493 0.15002 -1.52778
6005.0000 -118.02458 -114.01571 4.00887 2.09961 -113.86893 594.36460
6010.0000 -117.98532 -114.14983 3.83549 2.04329 -114.61284 544.49773
6015.0000 -117.41024 -114.23934 3.17091 2.08981 -113.99846 588.27076
6020.0000 -117.67843 -113.87031 3.80812 2.06070 -114.38290 561.25625
6025.0000 -116.86898 -113.10185 3.76713 2.11424 -113.67571 604.77183
6030.0000 -117.65992 -113.60006 4.05986 2.14813 -113.22811 633.30480
6035.0000 -117.65676 -113.26418 4.39257 2.13622 -113.38545 622.98740
6040.0000 -117.02218 -112.78787 4.23431 2.13190 -113.44250 637.76168
6045.0000 -116.91586 -113.73120 3.18466 2.12930 -113.47689 589.55524
6050.0000 -117.41452 -113.47621 3.93832 2.12502 -113.53341 594.50214
6055.0000 -117.73385 -114.47658 3.25727 2.10405 -113.81033 584.91032
6060.0000 -117.68326 -114.09743 3.58584 2.05491 -114.45929 547.41815
6065.0000 -117.47436 -113.92025 3.55411 2.11202 -113.70509 592.83719
6070.0000 -117.62684 -113.69659 3.93024 2.13461 -113.40670 630.51151
6075.0000 -118.15094 -114.33220 3.81874 2.10512 -113.79619 583.96715
6080.0000 -117.91670 -113.70116 4.21554 2.04835 -114.54598 566.69060
6085.0000 -117.73426 -114.09133 3.64293 2.10577 -113.78762 594.65427
6090.0000 -119.07487 -114.63617 4.43870 2.06865 -114.27793 584.15986
6095.0000 -118.20065 -113.93205 4.26860 2.05092 -114.51208 563.08645
6100.0000 -117.63314 -113.71130 3.92184 2.07515 -114.19204 587.15779
6105.0000 -117.97186 -113.68526 4.28660 2.09313 -113.95450 606.89011
6110.0000 -117.53291 -113.96517 3.56774 2.11275 -113.69540 626.90525
6115.0000 -117.00783 -113.30566 3.70218 2.08239 -114.09644 594.57259
6120.0000 -118.21156 -114.11329 4.09826 2.15043 -113.19772 644.08745
6125.0000 -117.96589 -114.08577 3.88011 2.12927 -113.47725 647.22858
6130.0000 -117.90481 -114.09980 3.80501 2.07964 -114.13273 571.54727
6135.0000 -117.02259 -113.43396 3.58863 2.08271 -114.09220 569.36548
6140.0000 -117.68843 -114.45929 3.22914 2.09901 -113.87691 578.39707
6145.0000 -118.14547 -115.12768 3.01779 2.05219 -114.49530 563.55035
6150.0000 -117.89391 -113.60106 4.29285 2.08913 -114.00736 570.55158
6155.0000 -117.10510 -112.85990 4.24520 2.12445 -113.54084 600.22114
6160.0000 -117.45809 -113.27391 4.18418 2.18699 -112.71492 642.79211
6165.0000 -116.67707 -113.01439 3.66268 2.12110 -113.58511 619.13379
6170.0000 -117.33880 -113.44891 3.88989 2.15246 -113.17099 609.06131
6175.0000 -117.09805 -113.76227 3.33578 2.10384 -113.81311 596.62639
6180.0000 -117.88145 -113.88431 3.99714 2.08375 -114.07848 582.90467
6185.0000 -117.87443 -114.14489 3.72955 2.09894 -113.87782 593.58188
6190.0000 -118.81882 -114.51271 4.30611 2.07314 -114.21863 575.40093
6195.0000 -117.90977 -114.04881 3.86096 2.05505 -114.45747 553.30755
6200.0000 -118.16511 -114.80831 3.35680 2.02196 -114.89452 537.98339
6205.0000 -117.58085 -113.96176 3.61909 2.06339 -114.34739 560.84021
6210.0000 -117.60250 -113.32685 4.27566 2.11687 -113.64106 610.69326
6215.0000 -116.27479 -112.87574 3.39905 2.13053 -113.46055 620.70081
6220.0000 -117.76952 -114.51203 3.25749 2.13271 -113.43183 606.93435
6225.0000 -117.19123 -113.60290 3.58833 2.06584 -114.31499 578.65077
6230.0000 -116.83446 -112.72585 4.10861 2.13227 -113.43765 608.06002
6235.0000 -117.31402 -113.76970 3.54432 2.13948 -113.34232 636.19141
6240.0000 -117.51295 -113.53538 3.97757 2.07926 -114.13770 558.36348
6245.0000 -117.41753 -113.83799 3.57954 2.10935 -113.74031 601.61247
6250.0000 -116.97926 -113.76523 3.21403 2.10863 -113.74987 599.79096
FREEZING PROCESS: loop number 26 T-loop= 572.00000000000000
main_MD> interactions number 26 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14277 -2.21840 -0.12186
force_rgl> df(natom) 1.07615 -4.44966 4.21635
6255.0000 -117.55547 -114.41778 3.13769 2.08046 -114.12194 559.73630
6260.0000 -117.74176 -114.26374 3.47801 2.05637 -114.44011 569.74403
6265.0000 -118.19651 -114.75278 3.44373 2.03636 -114.70441 543.00735
6270.0000 -117.30719 -113.54266 3.76453 2.09649 -113.91011 583.30057
6275.0000 -118.38925 -115.02041 3.36884 2.03861 -114.67457 543.08796
6280.0000 -117.41076 -113.97811 3.43265 2.06910 -114.27197 577.52810
6285.0000 -117.08290 -113.32794 3.75496 2.10868 -113.74923 603.92676
6290.0000 -117.31417 -113.69076 3.62341 2.12360 -113.55217 594.12522
6295.0000 -116.61170 -112.81198 3.79972 2.16879 -112.95521 668.05552
6300.0000 -116.55929 -113.40582 3.15347 2.16963 -112.94419 649.36089
6305.0000 -117.63985 -114.17514 3.46471 2.10899 -113.74501 608.11265
6310.0000 -116.35527 -112.71315 3.64212 2.15114 -113.18832 657.82156
6315.0000 -117.67630 -113.02235 4.65395 2.16738 -112.97383 671.79915
6320.0000 -117.50062 -113.71565 3.78497 2.14161 -113.31430 613.26921
6325.0000 -117.07686 -113.41124 3.66562 2.15406 -113.14986 639.99922
6330.0000 -118.24661 -114.66739 3.57922 2.07411 -114.20573 568.69828
6335.0000 -117.44075 -113.78520 3.65555 2.06588 -114.31452 555.94140
6340.0000 -116.89495 -113.58266 3.31229 2.11848 -113.61973 607.08405
6345.0000 -116.85080 -113.36936 3.48144 2.09206 -113.96863 576.62019
6350.0000 -117.52664 -114.49274 3.03390 2.11002 -113.73150 585.58420
6355.0000 -118.24689 -114.90909 3.33780 2.06744 -114.29391 562.82155
6360.0000 -117.74122 -113.84367 3.89755 2.10475 -113.80112 592.42501
6365.0000 -118.08808 -114.18612 3.90197 2.08327 -114.08480 581.72371
6370.0000 -117.57159 -114.17251 3.39908 2.06124 -114.37579 568.34505
6375.0000 -118.60379 -114.52476 4.07903 2.08445 -114.06921 600.85611
6380.0000 -117.72405 -114.58765 3.13640 2.02022 -114.91748 532.51688
6385.0000 -117.69527 -113.80802 3.88725 2.06344 -114.34672 583.47661
6390.0000 -117.06468 -113.41570 3.64898 2.11915 -113.61082 627.24078
6395.0000 -117.92111 -113.79838 4.12272 2.10737 -113.76649 620.52104
6400.0000 -117.25794 -113.81920 3.43874 2.10997 -113.73211 614.27658
6405.0000 -118.41736 -114.65652 3.76085 2.06417 -114.33699 520.58361
6410.0000 -117.10888 -113.39869 3.71019 2.08780 -114.02489 574.35798
6415.0000 -117.50853 -113.20175 4.30679 2.13874 -113.35210 616.06487
6420.0000 -117.83134 -113.73662 4.09471 2.11638 -113.64747 608.99302
6425.0000 -118.48603 -114.53001 3.95602 2.08160 -114.10683 584.42830
6430.0000 -117.73680 -114.49848 3.23832 2.05336 -114.47984 524.40930
6435.0000 -118.09314 -114.67628 3.41685 2.02063 -114.91209 539.47101
6440.0000 -117.53362 -114.30137 3.23225 2.06599 -114.31304 587.65434
6445.0000 -117.28676 -113.39423 3.89253 2.09927 -113.87341 603.27604
6450.0000 -117.40468 -113.44626 3.95842 2.12557 -113.52610 604.63064
6455.0000 -117.39022 -113.80992 3.58030 2.11205 -113.70461 601.82340
6460.0000 -117.90384 -114.43017 3.47367 2.10650 -113.77793 585.16996
6465.0000 -117.19428 -112.61486 4.57942 2.07783 -114.15660 570.18826
6470.0000 -116.81494 -113.15177 3.66317 2.14572 -113.26002 623.64335
6475.0000 -117.63247 -113.97397 3.65850 2.11802 -113.62584 569.78507
6480.0000 -118.63547 -114.81055 3.82492 2.07513 -114.19233 574.69321
6485.0000 -118.18848 -114.23350 3.95498 2.06035 -114.38748 572.45357
6490.0000 -117.40495 -113.81036 3.59458 2.09375 -113.94630 579.43419
6495.0000 -117.60277 -113.56409 4.03869 2.10340 -113.81885 575.66031
6500.0000 -116.33242 -113.46948 2.86294 2.18192 -112.78183 631.23684
FREEZING PROCESS: loop number 27 T-loop= 547.00000000000000
main_MD> interactions number 27 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74839 0.92466 -0.16291
force_rgl> df(natom) -2.21667 1.37193 -0.10681
6505.0000 -117.87372 -114.40147 3.47226 2.09428 -113.93938 555.67492
6510.0000 -117.68387 -113.62028 4.06360 2.10676 -113.77446 585.09519
6515.0000 -117.18046 -113.56265 3.61781 2.12926 -113.47736 618.19818
6520.0000 -117.58026 -114.33301 3.24724 2.07751 -114.16091 579.95066
6525.0000 -118.55950 -114.83954 3.71995 2.07309 -114.21924 568.74419
6530.0000 -118.47751 -115.14815 3.32936 2.03824 -114.67956 555.23718
6535.0000 -118.52606 -114.95175 3.57431 1.97832 -115.47095 506.17649
6540.0000 -118.87748 -115.01544 3.86204 2.04804 -114.55008 563.60686
6545.0000 -118.06008 -114.64443 3.41565 2.03645 -114.70310 536.30532
6550.0000 -117.39920 -114.07350 3.32571 2.06044 -114.38635 554.49448
6555.0000 -118.35484 -113.86566 4.48918 2.08760 -114.02763 586.24721
6560.0000 -117.61866 -114.32742 3.29124 2.06874 -114.27675 571.68169
6565.0000 -118.21727 -114.60426 3.61301 2.04479 -114.59303 558.71327
6570.0000 -118.48388 -115.68348 2.80039 2.01257 -115.01859 531.59892
6575.0000 -118.12544 -114.80330 3.32214 2.00211 -115.15673 526.61054
6580.0000 -119.11867 -115.60832 3.51035 2.03111 -114.77367 538.96970
6585.0000 -118.17301 -114.56975 3.60326 2.00970 -115.05649 541.60111
6590.0000 -118.32180 -114.67773 3.64408 2.02737 -114.82314 554.34920
6595.0000 -117.87817 -114.63787 3.24031 2.04677 -114.56689 537.87088
6600.0000 -117.94888 -114.17717 3.77171 2.04001 -114.65619 528.24473
6605.0000 -117.86492 -114.79641 3.06851 2.02625 -114.83793 535.16734
6610.0000 -118.90039 -114.84150 4.05890 2.07618 -114.17846 570.06127
6615.0000 -118.25291 -114.74194 3.51097 2.05106 -114.51022 574.32033
6620.0000 -117.78284 -114.77478 3.00806 2.01857 -114.93933 525.18112
6625.0000 -118.20420 -114.68842 3.51578 2.03969 -114.66039 544.30798
6630.0000 -118.20195 -114.94989 3.25206 2.04327 -114.61312 539.00372
6635.0000 -118.08436 -114.61024 3.47412 2.04213 -114.62815 540.32962
6640.0000 -117.04087 -113.73009 3.31078 2.05251 -114.49111 571.12972
6645.0000 -117.63946 -113.43249 4.20697 2.15138 -113.18523 629.30341
6650.0000 -117.93188 -114.51995 3.41193 2.06857 -114.27887 570.52577
6655.0000 -118.35226 -115.04043 3.31184 2.00852 -115.07206 510.60801
6660.0000 -118.25217 -114.62377 3.62839 2.00828 -115.07522 510.11665
6665.0000 -118.25930 -114.87645 3.38286 2.00923 -115.06264 527.33538
6670.0000 -117.49976 -113.81431 3.68544 2.07975 -114.13120 572.90605
6675.0000 -118.04582 -114.34328 3.70254 2.05054 -114.51709 562.26470
6680.0000 -117.98325 -114.07064 3.91261 2.08553 -114.05489 577.13965
6685.0000 -117.79067 -114.62049 3.17018 2.06387 -114.34101 571.92825
6690.0000 -118.15568 -114.90239 3.25329 2.04298 -114.61698 552.04184
6695.0000 -118.13495 -115.47570 2.65925 1.98066 -115.44000 477.21946
6700.0000 -118.05562 -114.53588 3.51974 2.03479 -114.72508 520.90683
6705.0000 -117.18309 -114.22871 2.95437 2.06738 -114.29470 566.68032
6710.0000 -117.49883 -114.39698 3.10185 2.04649 -114.57057 546.81993
6715.0000 -117.93194 -114.62863 3.30332 2.07407 -114.20628 557.87204
6720.0000 -117.50764 -114.28089 3.22675 2.06056 -114.38476 561.75619
6725.0000 -117.95632 -114.37038 3.58594 2.07542 -114.18844 566.16817
6730.0000 -117.11857 -113.40820 3.71037 2.09308 -113.95523 580.50197
6735.0000 -118.71187 -115.02614 3.68573 2.09021 -113.99310 603.70275
6740.0000 -118.96035 -115.11570 3.84465 2.03061 -114.78024 559.96503
6745.0000 -117.84150 -114.58099 3.26051 2.01897 -114.93409 540.03242
6750.0000 -119.01169 -115.46603 3.54565 2.02300 -114.88081 516.16884
FREEZING PROCESS: loop number 28 T-loop= 522.00000000000000
main_MD> interactions number 28 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16026 -0.29566 -0.15495
force_rgl> df(natom) 1.13910 -3.70475 1.87351
6755.0000 -117.86499 -114.55527 3.30972 2.01922 -114.93071 494.12420
6760.0000 -117.56722 -114.47800 3.08922 2.05088 -114.51264 531.50491
6765.0000 -118.36128 -114.87129 3.48999 2.04922 -114.53453 524.93923
6770.0000 -118.37716 -113.71645 4.66071 2.08915 -114.00712 589.13956
6775.0000 -118.32200 -114.82670 3.49530 2.05467 -114.46254 559.61089
6780.0000 -118.39694 -114.75789 3.63905 2.04811 -114.54919 552.96839
6785.0000 -118.69203 -115.49211 3.19992 2.00312 -115.14331 544.28393
6790.0000 -118.19679 -115.49479 2.70200 1.96575 -115.63688 533.12729
6795.0000 -119.17475 -115.81797 3.35678 1.94838 -115.86631 513.05017
6800.0000 -119.46992 -115.65256 3.81736 1.97511 -115.51327 547.66719
6805.0000 -118.39582 -115.77199 2.62382 1.95434 -115.78767 505.96791
6810.0000 -118.78419 -114.59193 4.19225 2.05153 -114.50394 549.82237
6815.0000 -118.54221 -114.54462 3.99760 2.03940 -114.66415 545.62838
6820.0000 -118.34091 -114.78661 3.55430 2.05223 -114.49474 560.22050
6825.0000 -119.09837 -115.78049 3.31787 2.00555 -115.11127 541.08697
6830.0000 -118.52626 -115.50932 3.01695 1.99148 -115.29714 519.84400
6835.0000 -118.09886 -114.55380 3.54505 1.99819 -115.20845 518.18357
6840.0000 -118.53454 -114.78709 3.74745 2.03903 -114.66911 549.45530
6845.0000 -117.83562 -114.89403 2.94159 2.00267 -115.14930 508.87984
6850.0000 -118.54192 -115.17422 3.36770 2.01189 -115.02756 520.99478
6855.0000 -117.98370 -115.00598 2.97771 2.01919 -114.93114 529.43834
6860.0000 -117.96236 -114.80282 3.15955 2.01223 -115.02308 511.21470
6865.0000 -118.18707 -114.76595 3.42112 2.05999 -114.39231 557.39309
6870.0000 -117.47943 -114.20011 3.27932 2.08936 -114.00435 577.79400
6875.0000 -118.58730 -115.32296 3.26434 2.03773 -114.68628 561.84083
6880.0000 -118.90083 -115.56048 3.34035 1.99352 -115.27011 518.33906
6885.0000 -118.94169 -116.16504 2.77665 1.97164 -115.55921 479.23859
6890.0000 -118.95889 -116.21077 2.74811 1.94319 -115.93497 457.90162
6895.0000 -118.10534 -115.19807 2.90728 1.93342 -116.06391 448.43744
6900.0000 -117.41568 -114.02803 3.38765 2.06468 -114.33031 568.78649
6905.0000 -118.64762 -114.89428 3.75334 2.03006 -114.78758 528.99702
6910.0000 -117.51793 -114.34878 3.16915 2.03823 -114.67959 537.38885
6915.0000 -118.30069 -114.94368 3.35700 2.01159 -115.03153 509.78092
6920.0000 -118.08127 -114.91220 3.16907 2.00067 -115.17579 519.66357
6925.0000 -118.31952 -115.13860 3.18091 1.99864 -115.20260 492.13416
6930.0000 -118.37315 -115.44482 2.92832 1.98465 -115.38728 508.76861
6935.0000 -117.55118 -114.30650 3.24468 2.00967 -115.05681 526.97168
6940.0000 -118.20025 -115.32351 2.87674 2.03719 -114.69343 532.89957
6945.0000 -118.09232 -115.17628 2.91604 2.01930 -114.92967 526.07292
6950.0000 -118.00744 -115.32959 2.67785 1.97784 -115.47731 521.56669
6955.0000 -118.50001 -115.04213 3.45787 2.00086 -115.17322 564.89281
6960.0000 -119.52136 -116.21933 3.30202 1.96345 -115.66730 531.13888
6965.0000 -120.01101 -116.59643 3.41457 1.90405 -116.45185 483.26232
6970.0000 -119.70612 -116.70853 2.99759 1.90261 -116.47087 481.70749
6975.0000 -118.81553 -116.06074 2.75479 1.88987 -116.63917 468.14732
6980.0000 -118.51836 -115.43765 3.08072 1.97995 -115.44945 520.90941
6985.0000 -119.08167 -116.02125 3.06043 1.96717 -115.61814 495.00465
6990.0000 -118.47203 -115.69964 2.77240 1.95300 -115.80528 478.80027
6995.0000 -119.01069 -116.10948 2.90121 1.94907 -115.85730 494.01788
7000.0000 -118.53288 -115.24885 3.28403 1.96242 -115.68092 489.62143
FREEZING PROCESS: loop number 29 T-loop= 497.00000000000000
main_MD> interactions number 29 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19923 -0.93908 0.87404
force_rgl> df(natom) 0.90644 -0.50621 -0.07638
7005.0000 -117.79069 -114.92755 2.86313 1.99767 -115.21538 496.62271
7010.0000 -118.51100 -115.38554 3.12547 2.03157 -114.76755 546.58942
7015.0000 -118.46970 -115.18384 3.28586 1.96800 -115.60721 491.18602
7020.0000 -118.59285 -115.63392 2.95893 2.00000 -115.18462 509.74423
7025.0000 -118.28250 -115.53186 2.75064 1.99513 -115.24892 473.99110
7030.0000 -117.78629 -114.55156 3.23473 2.00963 -115.05745 494.29986
7035.0000 -118.82135 -115.77536 3.04600 1.99194 -115.29110 522.04602
7040.0000 -119.52298 -116.27352 3.24946 1.93204 -116.08212 489.24121
7045.0000 -119.16708 -116.03742 3.12967 1.90490 -116.44065 468.77245
7050.0000 -119.01403 -116.09451 2.91953 1.94429 -115.92034 488.82807
7055.0000 -118.98155 -115.82838 3.15317 1.93973 -115.98062 497.73809
7060.0000 -118.98392 -115.84275 3.14117 1.90472 -116.44297 456.99459
7065.0000 -119.56017 -115.77528 3.78489 1.91725 -116.27752 482.17690
7070.0000 -119.28537 -116.15346 3.13191 1.94612 -115.89615 528.67988
7075.0000 -119.04847 -116.17198 2.87650 1.90808 -116.39868 461.10554
7080.0000 -119.02131 -115.87868 3.14263 1.94858 -115.86367 497.95364
7085.0000 -118.64815 -115.50862 3.13953 1.95636 -115.76091 519.60900
7090.0000 -119.60546 -116.34893 3.25653 1.94764 -115.87620 511.52597
7095.0000 -117.87976 -114.91156 2.96820 1.95187 -115.82023 514.56264
7100.0000 -118.11214 -114.90119 3.21095 2.03824 -114.67955 551.42885
7105.0000 -118.20770 -115.51615 2.69155 1.99732 -115.22000 518.11488
7110.0000 -119.25665 -116.00471 3.25195 1.95145 -115.82582 471.80556
7115.0000 -118.14318 -115.17179 2.97139 1.97070 -115.57162 497.04496
7120.0000 -118.31900 -115.30625 3.01275 1.99787 -115.21269 514.35212
7125.0000 -118.62895 -115.20664 3.42232 1.98370 -115.39984 487.73024
7130.0000 -119.27046 -116.35518 2.91528 1.98343 -115.40347 496.05337
7135.0000 -118.73478 -115.67164 3.06315 1.92902 -116.12211 449.41554
7140.0000 -118.30720 -115.47715 2.83005 1.96276 -115.67649 463.37811
7145.0000 -118.70514 -115.30256 3.40258 1.99710 -115.22282 518.00174
7150.0000 -118.44161 -115.53754 2.90407 1.99139 -115.29830 500.99349
7155.0000 -118.53144 -115.56256 2.96888 1.96801 -115.60703 483.70527
7160.0000 -118.54095 -115.32744 3.21351 1.97142 -115.56212 490.95093
7165.0000 -119.33887 -116.25319 3.08568 1.94954 -115.85103 473.12447
7170.0000 -118.69727 -116.02641 2.67086 1.93485 -116.04503 472.62436
7175.0000 -117.69692 -114.78059 2.91632 1.95103 -115.83139 460.63313
7180.0000 -119.30213 -115.91287 3.38926 1.98570 -115.37343 525.59487
7185.0000 -118.23263 -114.88680 3.34584 1.98752 -115.34935 530.22290
7190.0000 -117.58649 -114.24421 3.34228 2.04951 -114.53063 588.68323
7195.0000 -118.58385 -114.92386 3.65999 2.04756 -114.55642 565.51075
7200.0000 -119.00000 -115.76867 3.23134 2.00383 -115.13399 520.92800
7205.0000 -118.43387 -115.63708 2.79679 1.96780 -115.60981 470.58322
7210.0000 -118.31668 -114.87138 3.44530 1.99991 -115.18575 501.20584
7215.0000 -118.23685 -115.10952 3.12732 1.99075 -115.30670 502.05792
7220.0000 -118.83932 -115.22547 3.61384 2.01592 -114.97426 543.19639
7225.0000 -118.91101 -116.26721 2.64381 1.95680 -115.75514 480.26857
7230.0000 -118.47278 -115.23819 3.23459 1.94312 -115.93580 452.53189
7235.0000 -118.34754 -114.85212 3.49542 2.03172 -114.76563 543.08922
7240.0000 -117.94237 -114.89964 3.04272 2.00692 -115.09323 513.97086
7245.0000 -118.95296 -115.49202 3.46094 1.99611 -115.23602 506.90606
7250.0000 -118.59131 -115.29282 3.29849 2.00325 -115.14167 523.70007
FREEZING PROCESS: loop number 30 T-loop= 472.00000000000000
main_MD> interactions number 30 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.34049 2.00710 -1.04460
force_rgl> df(natom) 1.78142 0.42397 0.94772
7255.0000 -117.92505 -114.63879 3.28626 1.99313 -115.27533 509.48902
7260.0000 -117.98232 -114.84727 3.13505 2.03472 -114.72598 555.75346
7265.0000 -118.13695 -115.07223 3.06472 2.00876 -115.06891 536.14380
7270.0000 -118.87876 -116.27656 2.60219 1.94780 -115.87397 477.74829
7275.0000 -118.78674 -115.90320 2.88354 1.92944 -116.11655 459.85455
7280.0000 -118.17179 -114.59400 3.57780 1.98211 -115.42086 497.51058
7285.0000 -118.37088 -114.52056 3.85032 2.05051 -114.51744 559.22227
7290.0000 -118.11763 -114.81235 3.30528 2.03076 -114.77826 558.22497
7295.0000 -118.95700 -115.69940 3.25760 1.95593 -115.76663 518.13479
7300.0000 -119.42041 -116.15178 3.26863 1.92806 -116.13470 497.83426
7305.0000 -119.35636 -116.35163 3.00474 1.91427 -116.31693 507.02531
7310.0000 -119.32941 -116.66292 2.66649 1.89253 -116.60397 478.12323
7315.0000 -119.34139 -116.02805 3.31334 1.89020 -116.63476 463.38143
7320.0000 -119.05558 -116.46403 2.59155 1.93691 -116.01789 480.89320
7325.0000 -118.64124 -115.26585 3.37539 1.95164 -115.82332 478.09725
7330.0000 -118.39531 -115.07930 3.31601 2.00926 -115.06226 549.10774
7335.0000 -118.92908 -116.47708 2.45200 1.93956 -115.98287 499.65477
7340.0000 -119.23760 -116.52967 2.70793 1.92367 -116.19275 475.76312
7345.0000 -120.00962 -116.98344 3.02618 1.86338 -116.98900 431.12399
7350.0000 -119.39012 -116.88821 2.50191 1.87440 -116.84351 433.02459
7355.0000 -118.73833 -116.14011 2.59822 1.89499 -116.57146 465.46638
7360.0000 -119.39111 -116.64483 2.74628 1.88836 -116.65909 462.28696
7365.0000 -119.57533 -116.99886 2.57647 1.87774 -116.79933 437.64722
7370.0000 -119.77057 -116.98824 2.78233 1.85985 -117.03560 428.42080
7375.0000 -119.36623 -116.90723 2.45900 1.86126 -117.01697 430.82915
7380.0000 -118.86203 -116.28493 2.57710 1.88151 -116.74963 452.23456
7385.0000 -118.96687 -116.33020 2.63667 1.91660 -116.28608 475.36567
7390.0000 -118.23498 -115.32329 2.91169 1.93575 -116.03312 477.12643
7395.0000 -117.99686 -114.85151 3.14536 1.99025 -115.31339 504.63187
7400.0000 -118.87799 -115.99698 2.88101 1.96005 -115.71228 448.61618
7405.0000 -118.80456 -115.71499 3.08957 1.94770 -115.87531 449.38004
7410.0000 -118.59842 -115.82989 2.76853 1.95986 -115.71476 472.40647
7415.0000 -117.88237 -114.17366 3.70871 2.03990 -114.65762 584.98136
7420.0000 -118.90983 -115.63195 3.27788 1.98703 -115.35585 539.85799
7425.0000 -118.49102 -115.58692 2.90410 1.94795 -115.87205 493.88772
7430.0000 -118.82077 -115.80527 3.01549 1.92688 -116.15027 465.74014
7435.0000 -118.60009 -116.24466 2.35543 1.93108 -116.09491 452.40653
7440.0000 -119.09393 -116.21646 2.87748 1.94511 -115.90949 461.07408
7445.0000 -118.86327 -115.68055 3.18272 1.94151 -115.95712 476.38322
7450.0000 -119.03712 -116.24673 2.79039 1.95423 -115.78908 461.82238
7455.0000 -118.29218 -115.53046 2.76172 1.94076 -115.96699 460.81769
7460.0000 -118.59352 -115.45042 3.14310 1.98379 -115.39868 493.64351
7465.0000 -118.54413 -115.91621 2.62793 1.96364 -115.66484 473.02545
7470.0000 -117.98613 -115.20207 2.78405 1.99806 -115.21018 518.82853
7475.0000 -118.85728 -115.65983 3.19745 1.95664 -115.75722 467.75337
7480.0000 -118.22023 -114.93949 3.28074 2.00145 -115.16539 507.25776
7485.0000 -118.76121 -115.43561 3.32561 2.00431 -115.12772 503.81357
7490.0000 -119.21030 -115.64923 3.56108 1.97293 -115.54214 480.10437
7495.0000 -118.59705 -115.90139 2.69566 1.97291 -115.54237 517.64297
7500.0000 -118.67277 -116.12179 2.55098 1.94517 -115.90877 471.19947
FREEZING PROCESS: loop number 31 T-loop= 447.00000000000000
main_MD> interactions number 31 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58151 0.46097 -2.12073
force_rgl> df(natom) 3.20879 -1.25336 0.29874
7505.0000 -118.86592 -115.87382 2.99210 1.94208 -115.94958 476.94316
7510.0000 -119.36657 -116.59055 2.77602 1.90779 -116.40241 456.78300
7515.0000 -118.72274 -116.07061 2.65213 1.92050 -116.23454 454.48301
7520.0000 -119.62234 -116.84234 2.77999 1.87846 -116.78991 427.72784
7525.0000 -119.60760 -116.75387 2.85373 1.87356 -116.85451 434.67100
7530.0000 -119.23132 -116.65707 2.57425 1.91026 -116.36983 468.49279
7535.0000 -119.52759 -116.87159 2.65600 1.87075 -116.89164 432.29119
7540.0000 -119.57912 -116.52806 3.05106 1.90298 -116.46594 469.34371
7545.0000 -119.43721 -116.61486 2.82235 1.90044 -116.49952 463.13672
7550.0000 -120.24379 -117.62114 2.62265 1.85339 -117.12098 424.30438
7555.0000 -119.22609 -116.81906 2.40703 1.85377 -117.11596 422.44538
7560.0000 -119.53205 -116.41238 3.11967 1.91170 -116.35083 474.26116
7565.0000 -119.57515 -116.10405 3.47110 1.93268 -116.07372 493.45616
7570.0000 -119.71299 -116.20215 3.51085 1.90563 -116.43095 471.60043
7575.0000 -119.27464 -116.85999 2.41465 1.88209 -116.74193 425.67511
7580.0000 -119.37167 -116.35529 3.01638 1.89957 -116.51110 442.11741
7585.0000 -119.80951 -116.95421 2.85530 1.88216 -116.74101 441.15039
7590.0000 -119.78506 -116.92787 2.85718 1.86638 -116.94943 429.08448
7595.0000 -119.30139 -116.68207 2.61931 1.86376 -116.98396 417.14930
7600.0000 -119.41560 -116.83369 2.58190 1.85847 -117.05393 424.83231
7605.0000 -119.20688 -116.29704 2.90984 1.88182 -116.74545 461.87304
7610.0000 -119.56202 -117.07646 2.48556 1.89526 -116.56799 478.01461
7615.0000 -120.26457 -117.73976 2.52481 1.84212 -117.26986 407.86712
7620.0000 -119.16477 -116.77710 2.38767 1.82786 -117.45810 386.80864
7625.0000 -120.33208 -116.95739 3.37469 1.86776 -116.93116 432.02703
7630.0000 -119.80701 -117.08335 2.72366 1.86639 -116.94924 452.83841
7635.0000 -119.99029 -117.10523 2.88506 1.85054 -117.15867 436.54104
7640.0000 -119.60228 -117.25465 2.34763 1.87692 -116.81017 448.31741
7645.0000 -119.00213 -116.01756 2.98456 1.88161 -116.74822 453.06554
7650.0000 -119.39698 -116.76386 2.63312 1.89948 -116.51219 462.94966
7655.0000 -119.49158 -116.90177 2.58981 1.87599 -116.82250 438.95962
7660.0000 -119.39458 -116.78080 2.61378 1.87834 -116.79149 434.07245
7665.0000 -120.12508 -117.00755 3.11753 1.88470 -116.70743 449.51082
7670.0000 -119.24956 -116.56118 2.68838 1.85176 -117.14243 426.60133
7675.0000 -118.84542 -116.00906 2.83637 1.92144 -116.22212 494.47717
7680.0000 -119.55789 -116.63842 2.91947 1.92400 -116.18836 496.92382
7685.0000 -120.15658 -117.20146 2.95513 1.85772 -117.06381 434.24080
7690.0000 -119.64264 -117.02654 2.61610 1.82546 -117.48989 411.68726
7695.0000 -119.88551 -117.43289 2.45262 1.84481 -117.23430 429.69746
7700.0000 -120.57689 -117.39443 3.18246 1.85215 -117.13734 434.27147
7705.0000 -119.77294 -117.48690 2.28604 1.80983 -117.69629 386.59997
7710.0000 -119.46471 -116.95722 2.50749 1.87311 -116.86056 457.92355
7715.0000 -119.64292 -116.57691 3.06601 1.89890 -116.51986 472.14431
7720.0000 -120.17738 -117.12895 3.04843 1.87553 -116.82852 454.26808
7725.0000 -119.95853 -117.64521 2.31332 1.83353 -117.38332 411.44361
7730.0000 -119.37034 -117.00012 2.37023 1.84840 -117.18688 423.58968
7735.0000 -119.33931 -116.94595 2.39336 1.84033 -117.29352 422.11325
7740.0000 -119.31285 -116.80699 2.50586 1.87076 -116.89156 417.09672
7745.0000 -119.23693 -116.23934 2.99759 1.89522 -116.56845 427.97801
7750.0000 -119.05753 -116.41245 2.64508 1.92036 -116.23647 451.40807
FREEZING PROCESS: loop number 32 T-loop= 422.00000000000000
main_MD> interactions number 32 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.82550 0.30007 -0.31404
force_rgl> df(natom) -2.16108 0.35501 -1.36391
7755.0000 -119.51348 -116.52654 2.98694 1.91165 -116.35155 450.82643
7760.0000 -119.19007 -116.97595 2.21413 1.89120 -116.62159 431.60626
7765.0000 -119.76827 -117.54657 2.22170 1.84004 -117.29727 397.22545
7770.0000 -119.24431 -116.88334 2.36096 1.83024 -117.42670 375.32611
7775.0000 -119.22641 -116.45642 2.77000 1.88689 -116.67849 417.00359
7780.0000 -118.93278 -115.67217 3.26061 1.93729 -116.01285 455.07708
7785.0000 -119.32592 -116.95214 2.37378 1.92140 -116.22265 440.20823
7790.0000 -119.16452 -116.39735 2.76717 1.91733 -116.27648 455.85039
7795.0000 -119.58106 -116.49777 3.08328 1.90430 -116.44862 450.79368
7800.0000 -118.98224 -116.08179 2.90045 1.90241 -116.47346 434.28453
7805.0000 -119.49230 -116.65745 2.83484 1.94979 -115.84775 496.30506
7810.0000 -119.46562 -117.20962 2.25600 1.87845 -116.79001 422.40973
7815.0000 -119.85101 -117.94465 1.90636 1.81999 -117.56211 369.01005
7820.0000 -118.83444 -116.54029 2.29416 1.82998 -117.43018 372.45038
7825.0000 -118.79855 -115.98187 2.81669 1.90568 -116.43029 444.63650
7830.0000 -118.97992 -116.72952 2.25040 1.89526 -116.56797 435.47882
7835.0000 -119.37411 -115.69900 3.67511 1.91841 -116.26221 457.59692
7840.0000 -118.56792 -115.47710 3.09082 1.96172 -115.69016 511.49098
7845.0000 -120.08204 -117.34280 2.73924 1.90024 -116.50218 432.47643
7850.0000 -119.67365 -116.85781 2.81584 1.84690 -117.20669 377.12712
7855.0000 -119.33488 -116.19030 3.14458 1.90246 -116.47283 430.48830
7860.0000 -118.74669 -115.98787 2.75882 1.90291 -116.46695 448.79188
7865.0000 -118.88770 -116.25018 2.63751 1.94673 -115.88811 459.62635
7870.0000 -119.88373 -117.55926 2.32447 1.87226 -116.87178 425.99907
7875.0000 -119.90635 -117.36042 2.54593 1.82132 -117.54449 358.76384
7880.0000 -119.75543 -117.12450 2.63093 1.85753 -117.06627 404.44328
7885.0000 -119.76311 -117.07570 2.68741 1.86868 -116.91900 421.69078
7890.0000 -119.62096 -117.19100 2.42996 1.86248 -117.00095 408.12041
7895.0000 -119.43565 -116.47727 2.95838 1.86483 -116.96992 410.35955
7900.0000 -119.03657 -116.37159 2.66498 1.88920 -116.64794 430.70510
7905.0000 -119.21915 -116.70376 2.51539 1.91651 -116.28732 475.05467
7910.0000 -119.48384 -116.53165 2.95220 1.87104 -116.88783 434.98751
7915.0000 -119.20332 -116.50914 2.69417 1.92962 -116.11417 492.87799
7920.0000 -120.29588 -117.60687 2.68900 1.87886 -116.78454 451.56066
7925.0000 -120.23943 -117.11657 3.12286 1.85594 -117.08734 435.96447
7930.0000 -119.80043 -117.00225 2.79818 1.84428 -117.24122 417.92113
7935.0000 -119.61664 -116.79814 2.81849 1.85853 -117.05306 437.75054
7940.0000 -119.54538 -117.29003 2.25535 1.84981 -117.16822 414.63567
7945.0000 -120.22910 -117.45561 2.77349 1.84694 -117.20610 410.68452
7950.0000 -119.34018 -117.07370 2.26647 1.84546 -117.22574 418.93837
7955.0000 -118.90597 -116.26731 2.63866 1.88068 -116.76050 446.89371
7960.0000 -119.58220 -116.77528 2.80693 1.90542 -116.43378 449.95951
7965.0000 -119.58471 -116.37120 3.21351 1.86868 -116.91907 414.19953
7970.0000 -119.90869 -117.12023 2.78846 1.88052 -116.76258 438.51046
7975.0000 -119.87701 -117.01764 2.85937 1.84397 -117.24536 418.88492
7980.0000 -120.54163 -117.96994 2.57168 1.86504 -116.96704 449.36550
7985.0000 -120.15018 -117.31721 2.83297 1.79989 -117.82763 380.69128
7990.0000 -119.64935 -117.22299 2.42637 1.83303 -117.38987 410.72683
7995.0000 -119.38888 -117.15215 2.23673 1.86737 -116.93636 449.33966
8000.0000 -119.61328 -116.63388 2.97940 1.87763 -116.80082 456.58420
FREEZING PROCESS: loop number 33 T-loop= 397.00000000000000
main_MD> interactions number 33 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91052 -0.37286 1.85248
force_rgl> df(natom) -1.18330 2.61860 -2.62570
8005.0000 -119.86427 -117.23277 2.63149 1.86547 -116.96142 440.69570
8010.0000 -120.42361 -117.52173 2.90188 1.83054 -117.42277 399.97720
8015.0000 -119.70740 -117.20125 2.50615 1.81381 -117.64374 392.79281
8020.0000 -120.52966 -118.35886 2.17080 1.80373 -117.77690 366.18067
8025.0000 -120.39787 -117.99860 2.39928 1.79351 -117.91191 365.86588
8030.0000 -120.02844 -117.94435 2.08409 1.80753 -117.72661 377.24850
8035.0000 -119.50332 -116.90190 2.60142 1.82888 -117.44463 403.59955
8040.0000 -120.21411 -117.68152 2.53259 1.84646 -117.21252 427.93749
8045.0000 -119.97878 -117.75839 2.22039 1.81968 -117.56625 403.21578
8050.0000 -119.77535 -117.14622 2.62913 1.79915 -117.83740 385.61970
8055.0000 -119.41384 -116.95926 2.45458 1.85982 -117.03601 432.31171
8060.0000 -120.37289 -117.99939 2.37351 1.81147 -117.67460 395.17425
8065.0000 -119.94825 -117.62989 2.31836 1.81040 -117.68872 387.68443
8070.0000 -119.88068 -117.52671 2.35397 1.83556 -117.35651 413.06425
8075.0000 -120.00215 -117.76119 2.24096 1.82690 -117.47083 400.39348
8080.0000 -120.15012 -117.81308 2.33703 1.81602 -117.61452 390.73523
8085.0000 -119.90939 -117.40844 2.50094 1.83248 -117.39713 405.28847
8090.0000 -119.98698 -117.80099 2.18599 1.82925 -117.43974 391.88294
8095.0000 -119.95071 -117.73099 2.21972 1.80710 -117.73235 374.45606
8100.0000 -120.10607 -117.88417 2.22190 1.80988 -117.69561 367.52877
8105.0000 -119.68399 -116.91939 2.76460 1.83530 -117.35983 390.70721
8110.0000 -120.01855 -117.63914 2.37942 1.83899 -117.31119 399.01482
8115.0000 -120.04266 -117.67541 2.36726 1.82177 -117.53857 384.40728
8120.0000 -120.25702 -117.31001 2.94700 1.83528 -117.36021 400.66859
8125.0000 -119.95054 -117.03836 2.91218 1.82679 -117.47228 400.61355
8130.0000 -119.73541 -117.38203 2.35338 1.82850 -117.44975 399.65857
8135.0000 -119.94288 -117.34334 2.59954 1.82923 -117.44012 408.92346
8140.0000 -120.32708 -117.75271 2.57437 1.79393 -117.90629 369.83000
8145.0000 -119.76520 -117.40570 2.35950 1.84774 -117.19553 428.89521
8150.0000 -120.41158 -118.00149 2.41009 1.81024 -117.69083 392.24123
8155.0000 -120.11408 -117.94491 2.16917 1.78190 -118.06515 367.36985
8160.0000 -120.31422 -117.87731 2.43691 1.78591 -118.01219 370.01414
8165.0000 -120.51363 -118.30772 2.20591 1.78399 -118.03756 374.54345
8170.0000 -120.54008 -118.60066 1.93943 1.76340 -118.30950 346.94012
8175.0000 -120.31583 -118.10214 2.21369 1.76089 -118.34268 347.74286
8180.0000 -119.88266 -117.62188 2.26077 1.78196 -118.06434 364.17018
8185.0000 -119.64511 -117.15575 2.48936 1.83956 -117.30362 415.12233
8190.0000 -120.09488 -117.44613 2.64875 1.84153 -117.27758 416.40391
8195.0000 -120.19855 -116.92202 3.27653 1.84083 -117.28691 426.65034
8200.0000 -120.27876 -118.01163 2.26713 1.82951 -117.43639 413.92234
8205.0000 -120.78724 -118.53374 2.25350 1.76770 -118.25275 344.51988
8210.0000 -120.20228 -117.89904 2.30324 1.76045 -118.34855 344.11609
8215.0000 -119.98091 -117.54512 2.43578 1.81204 -117.66716 388.78877
8220.0000 -120.29746 -117.31506 2.98240 1.82350 -117.51570 402.62480
8225.0000 -119.90367 -117.53016 2.37351 1.84143 -117.27899 421.38607
8230.0000 -119.50113 -117.27401 2.22712 1.79983 -117.82836 363.39255
8235.0000 -120.32013 -118.02006 2.30007 1.78348 -118.04436 366.66279
8240.0000 -120.41959 -117.91717 2.50241 1.79099 -117.94511 371.44403
8245.0000 -119.76122 -117.12489 2.63633 1.82299 -117.52250 409.77848
8250.0000 -120.31795 -117.01241 3.30554 1.84647 -117.21236 438.25414
FREEZING PROCESS: loop number 34 T-loop= 372.00000000000000
main_MD> interactions number 34 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.01016 -2.12625 -1.57709
force_rgl> df(natom) -0.98267 -2.93895 -0.02178
8255.0000 -119.84548 -117.34849 2.49700 1.83620 -117.34803 422.88660
8260.0000 -120.23425 -117.88583 2.34842 1.81717 -117.59932 405.25678
8265.0000 -120.24686 -117.96522 2.28164 1.78291 -118.05191 364.19137
8270.0000 -120.33897 -118.18606 2.15291 1.78292 -118.05178 364.27926
8275.0000 -120.10369 -117.65839 2.44530 1.79790 -117.85385 382.68400
8280.0000 -120.54753 -118.49570 2.05184 1.79472 -117.89593 380.35902
8285.0000 -120.15703 -117.89187 2.26516 1.77418 -118.16718 350.67967
8290.0000 -120.17415 -118.13404 2.04011 1.77488 -118.15795 366.80382
8295.0000 -120.65281 -118.37060 2.28221 1.77861 -118.10869 360.79752
8300.0000 -120.08654 -118.07870 2.00784 1.79482 -117.89453 363.24077
8305.0000 -120.42676 -118.13412 2.29264 1.79669 -117.86985 376.73453
8310.0000 -120.07856 -117.61367 2.46489 1.78971 -117.96197 370.99465
8315.0000 -120.40430 -118.65301 1.75130 1.77406 -118.16873 359.43435
8320.0000 -120.63777 -118.52275 2.11501 1.74699 -118.52630 329.40019
8325.0000 -120.99131 -119.05932 1.93199 1.73643 -118.66580 323.85960
8330.0000 -120.74932 -118.12304 2.62628 1.74716 -118.52401 333.19969
8335.0000 -120.19374 -117.76074 2.43300 1.78278 -118.05353 360.03615
8340.0000 -119.49791 -117.20116 2.29676 1.81523 -117.62493 385.66315
8345.0000 -120.43235 -118.20028 2.23207 1.80576 -117.75011 385.60467
8350.0000 -120.99207 -118.72569 2.26638 1.75474 -118.42394 341.48777
8355.0000 -120.29562 -118.34643 1.94919 1.73942 -118.62622 326.40101
8360.0000 -120.33150 -118.20018 2.13133 1.77025 -118.21906 355.30721
8365.0000 -120.40295 -117.81369 2.58926 1.77561 -118.14822 367.21929
8370.0000 -120.18365 -118.30214 1.88151 1.77874 -118.10686 366.31778
8375.0000 -120.23781 -118.01095 2.22686 1.77235 -118.19135 354.23802
8380.0000 -120.63374 -118.40817 2.22558 1.76667 -118.26640 351.39442
8385.0000 -120.61179 -118.45698 2.15481 1.73050 -118.74401 317.62596
8390.0000 -120.32458 -118.50557 1.81901 1.75966 -118.35889 338.49639
8395.0000 -120.43651 -118.47116 1.96535 1.74102 -118.60516 325.78749
8400.0000 -119.92796 -117.57616 2.35180 1.79179 -117.93455 378.51052
8405.0000 -120.10962 -117.92655 2.18306 1.79014 -117.95641 369.72282
8410.0000 -120.32951 -117.74561 2.58391 1.79026 -117.95475 373.54018
8415.0000 -120.21877 -117.26409 2.95468 1.81872 -117.57885 403.42666
8420.0000 -119.96367 -117.56714 2.39653 1.83746 -117.33142 416.22443
8425.0000 -120.22791 -118.31080 1.91711 1.80095 -117.81354 379.85555
8430.0000 -120.49605 -118.45547 2.04058 1.77659 -118.13534 365.11094
8435.0000 -120.95389 -118.83055 2.12335 1.73973 -118.62211 324.79348
8440.0000 -120.33580 -118.35039 1.98542 1.76562 -118.28023 347.33079
8445.0000 -120.36605 -118.22615 2.13990 1.77052 -118.21551 355.69469
8450.0000 -120.38573 -118.16468 2.22105 1.75529 -118.41669 337.49829
8455.0000 -120.83309 -118.88506 1.94802 1.73462 -118.68963 313.60352
8460.0000 -120.53207 -118.21926 2.31281 1.75066 -118.47776 323.37733
8465.0000 -120.16516 -118.06256 2.10260 1.74847 -118.50678 329.40195
8470.0000 -120.78554 -118.34283 2.44271 1.78129 -118.07318 361.47535
8475.0000 -119.78467 -117.61412 2.17054 1.80861 -117.71242 395.52139
8480.0000 -119.96973 -117.71561 2.25412 1.82530 -117.49193 406.33136
8485.0000 -119.87533 -117.19419 2.68114 1.84254 -117.26424 399.64570
8490.0000 -120.28664 -117.96426 2.32238 1.82163 -117.54040 379.08053
8495.0000 -120.70996 -118.64409 2.06587 1.76370 -118.30558 338.02865
8500.0000 -120.71762 -118.29561 2.42201 1.77152 -118.20222 352.39651
FREEZING PROCESS: loop number 35 T-loop= 347.00000000000000
main_MD> interactions number 35 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.74051 4.29900 0.42028
force_rgl> df(natom) 0.21080 -0.28252 0.74934
8505.0000 -120.65981 -118.61282 2.04699 1.74960 -118.49184 336.09794
8510.0000 -120.29843 -118.67328 1.62515 1.72914 -118.76208 313.77584
8515.0000 -121.08924 -118.80943 2.27981 1.70673 -119.05796 295.06411
8520.0000 -120.73274 -118.29439 2.43835 1.74135 -118.60080 326.11969
8525.0000 -120.30986 -117.98911 2.32076 1.78336 -118.04588 367.93215
8530.0000 -120.34330 -117.78848 2.55482 1.79618 -117.87663 381.62846
8535.0000 -120.42828 -118.03246 2.39582 1.79052 -117.95129 369.64852
8540.0000 -120.13933 -117.94242 2.19691 1.78796 -117.98516 357.75743
8545.0000 -120.66755 -118.53626 2.13129 1.76425 -118.29830 336.57598
8550.0000 -120.30596 -118.19619 2.10976 1.75362 -118.43876 333.02332
8555.0000 -120.26107 -117.96263 2.29844 1.79277 -117.92166 377.64546
8560.0000 -120.42717 -117.90588 2.52129 1.80540 -117.75486 387.26976
8565.0000 -119.31941 -117.04332 2.27609 1.83702 -117.33718 417.87204
8570.0000 -120.17928 -117.81427 2.36501 1.80775 -117.72373 384.45528
8575.0000 -120.30259 -118.18082 2.12176 1.77751 -118.12312 362.29521
8580.0000 -120.49521 -118.17170 2.32351 1.77338 -118.17768 357.99141
8585.0000 -120.53742 -118.73935 1.79807 1.75782 -118.38321 344.30973
8590.0000 -120.24053 -118.47943 1.76110 1.76511 -118.28689 351.58532
8595.0000 -120.63642 -118.47731 2.15911 1.76733 -118.25756 351.39854
8600.0000 -120.53342 -118.57765 1.95577 1.77467 -118.16067 360.15355
8605.0000 -120.56977 -118.78369 1.78608 1.75177 -118.46311 333.75521
8610.0000 -120.51426 -118.47388 2.04038 1.75414 -118.43177 338.49973
8615.0000 -120.29876 -118.03989 2.25887 1.77578 -118.14601 349.49232
8620.0000 -120.31504 -118.61692 1.69812 1.77064 -118.21393 353.70620
8625.0000 -120.34645 -118.04934 2.29710 1.76016 -118.35238 341.18618
8630.0000 -120.09267 -117.81014 2.28253 1.78924 -117.96824 368.07931
8635.0000 -120.22084 -118.04020 2.18064 1.78352 -118.04379 366.21464
8640.0000 -120.74059 -118.99769 1.74290 1.77214 -118.19411 351.09329
8645.0000 -120.38856 -118.20434 2.18422 1.75934 -118.36309 347.30636
8650.0000 -120.73460 -118.39556 2.33904 1.76378 -118.30454 354.85138
8655.0000 -120.72027 -118.72402 1.99625 1.74786 -118.51478 326.82134
8660.0000 -120.63294 -118.39179 2.24115 1.73996 -118.61916 321.78037
8665.0000 -119.76592 -118.15173 1.61419 1.74925 -118.49648 335.96968
8670.0000 -120.35704 -118.24244 2.11460 1.74998 -118.48681 342.84384
8675.0000 -120.26474 -117.98398 2.28076 1.78479 -118.02696 365.82810
8680.0000 -120.37760 -118.24773 2.12987 1.78083 -118.07928 363.72845
8685.0000 -120.64659 -118.35469 2.29191 1.76809 -118.24753 353.33810
8690.0000 -120.55891 -118.25493 2.30398 1.76462 -118.29345 350.42366
8695.0000 -120.20049 -117.80713 2.39337 1.77091 -118.21034 351.47348
8700.0000 -120.56281 -118.41426 2.14855 1.76128 -118.33754 347.24763
8705.0000 -120.42117 -118.04896 2.37221 1.77683 -118.13213 364.06189
8710.0000 -120.18725 -118.12482 2.06243 1.76404 -118.30114 347.12123
8715.0000 -120.16093 -118.17749 1.98345 1.77803 -118.11628 356.99281
8720.0000 -120.79996 -118.73463 2.06532 1.74293 -118.57989 321.38027
8725.0000 -120.48405 -118.67796 1.80609 1.73628 -118.66778 330.74038
8730.0000 -120.41646 -118.53071 1.88575 1.75066 -118.47773 331.52321
8735.0000 -120.29729 -118.00248 2.29480 1.78283 -118.05292 368.49104
8740.0000 -120.26311 -118.48360 1.77951 1.78538 -118.01922 369.56327
8745.0000 -120.34871 -118.02170 2.32701 1.76912 -118.23397 349.09965
8750.0000 -121.02767 -118.79967 2.22799 1.76383 -118.30385 352.89719
FREEZING PROCESS: loop number 36 T-loop= 322.00000000000000
main_MD> interactions number 36 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19418 -0.67570 -2.65208
force_rgl> df(natom) -0.06511 -0.57283 1.80367
8755.0000 -120.96567 -118.85851 2.10716 1.71679 -118.92519 299.10019
8760.0000 -120.58549 -118.67758 1.90790 1.72437 -118.82496 308.97131
8765.0000 -120.63806 -118.36093 2.27713 1.72699 -118.79047 311.30218
8770.0000 -120.42817 -118.81424 1.61393 1.74985 -118.48846 338.01516
8775.0000 -120.66456 -118.76787 1.89670 1.72192 -118.85735 309.81946
8780.0000 -120.91833 -119.09913 1.81920 1.70686 -119.05635 289.68119
8785.0000 -120.69201 -118.49415 2.19786 1.73472 -118.68828 315.98239
8790.0000 -120.52694 -118.03205 2.49489 1.76240 -118.32268 352.19068
8795.0000 -120.89792 -118.83465 2.06327 1.75126 -118.46982 338.50962
8800.0000 -120.59718 -118.59874 1.99844 1.75001 -118.48634 334.89001
8805.0000 -120.70603 -118.81691 1.88912 1.72739 -118.78509 311.54232
8810.0000 -120.53210 -118.72080 1.81130 1.72132 -118.86530 297.94048
8815.0000 -120.18430 -118.46594 1.71836 1.73453 -118.69088 301.87820
8820.0000 -120.22914 -118.71508 1.51406 1.75078 -118.47619 314.45211
8825.0000 -120.78895 -119.16445 1.62450 1.70610 -119.06633 267.83415
8830.0000 -120.52496 -118.82180 1.70316 1.71729 -118.91847 284.56312
8835.0000 -120.62607 -118.62136 2.00471 1.72207 -118.85542 285.47717
8840.0000 -120.42290 -118.30872 2.11418 1.75630 -118.40325 318.20298
8845.0000 -120.27604 -118.58935 1.68669 1.76345 -118.30889 323.49553
8850.0000 -120.80227 -119.33755 1.46472 1.72261 -118.84830 287.37030
8855.0000 -120.30607 -118.33631 1.96975 1.71714 -118.92054 281.69372
8860.0000 -120.71561 -119.07198 1.64363 1.73013 -118.74901 293.38800
8865.0000 -120.30021 -118.56462 1.73559 1.72238 -118.85125 287.32791
8870.0000 -120.15042 -118.28655 1.86387 1.77443 -118.16390 343.03974
8875.0000 -120.39933 -118.34416 2.05517 1.76299 -118.31497 337.01596
8880.0000 -120.73785 -118.63748 2.10037 1.74085 -118.60735 319.23204
8885.0000 -120.67274 -118.77399 1.89874 1.73323 -118.70803 311.76943
8890.0000 -120.90815 -119.12949 1.77866 1.70839 -119.03615 287.72253
8895.0000 -120.18475 -118.50773 1.67703 1.72722 -118.78733 308.35333
8900.0000 -120.89441 -118.84734 2.04707 1.72760 -118.78236 304.45545
8905.0000 -120.89053 -118.99874 1.89179 1.72152 -118.86261 309.49387
8910.0000 -120.82257 -118.72664 2.09593 1.74092 -118.60648 320.26473
8915.0000 -120.92886 -118.97408 1.95477 1.72662 -118.79534 313.97983
8920.0000 -120.82787 -119.26190 1.56596 1.70504 -119.08039 292.69073
8925.0000 -120.68054 -118.89469 1.78584 1.71300 -118.97515 294.34973
8930.0000 -120.99795 -118.73918 2.25877 1.72819 -118.77455 308.06479
8935.0000 -120.56819 -118.91260 1.65560 1.73866 -118.63625 316.27577
8940.0000 -120.70142 -118.66271 2.03872 1.72352 -118.83626 306.90973
8945.0000 -120.77475 -118.65854 2.11621 1.74388 -118.56735 324.97204
8950.0000 -120.73704 -118.85960 1.87744 1.72347 -118.83695 307.59781
8955.0000 -120.00089 -118.20669 1.79420 1.74699 -118.52623 325.43671
8960.0000 -120.78212 -118.26498 2.51714 1.77804 -118.11621 358.64696
8965.0000 -120.51320 -118.35345 2.15975 1.76477 -118.29147 354.05661
8970.0000 -120.41259 -118.37776 2.03483 1.76983 -118.22462 345.87872
8975.0000 -120.72871 -118.69370 2.03501 1.74008 -118.61753 321.27307
8980.0000 -120.43912 -118.17933 2.25979 1.75538 -118.41550 333.59943
8985.0000 -120.77866 -118.76309 2.01557 1.74281 -118.58149 326.87684
8990.0000 -120.72029 -118.73360 1.98670 1.72673 -118.79388 307.04370
8995.0000 -120.18403 -118.30728 1.87675 1.75590 -118.40853 338.06403
9000.0000 -120.25211 -118.24583 2.00628 1.78091 -118.07822 363.88705
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 9 [min], 59.7324346 [s].
main_MD> Deallocating global variables
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