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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_47/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_47.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 = 47 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 47 4700
main_MD> Size of nv and nvoiz: 47 4700
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 = 47
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> -3.3266987676156039E-002 -8.3417873271816566E-003 -7.7732469707746743E-003 initial drift of cluster / NP1 for coalescence
init> 0.30245819590660716 0.31546628550633338 0.29833227026091030 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7037024940305844E-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) 3.91124 1.18939 -0.38146
force_rgl> df(natom) 0.91147 0.09831 -4.62346
preparo> THERMALIZATION PROCESS AT 1187.3396500094038
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -101.10672435446463 7.7780695181390449 -108.88479387260368 6.2441933770443991E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1165.0000000000000
main_MD> interactions number 1 at Temperature= 1165.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.42757 -2.74648 -3.54501
force_rgl> df(natom) 0.27538 0.87997 -0.16705
5.0000 -105.77937 -98.01432 7.76505 2.96655 -100.01472 1278.61653
10.0000 -107.73194 -98.16291 9.56903 3.09351 -98.36125 1323.36756
15.0000 -105.43010 -98.92541 6.50470 3.08774 -98.43649 1343.05358
20.0000 -107.46906 -99.58408 7.88498 3.01063 -99.44066 1307.56819
25.0000 -108.97719 -101.91992 7.05727 2.86518 -101.33494 1151.36177
30.0000 -107.89095 -100.55922 7.33173 2.77629 -102.49261 1105.39449
35.0000 -108.52359 -100.46820 8.05539 2.96502 -100.03467 1271.03261
40.0000 -108.59273 -102.31682 6.27592 2.98475 -99.77769 1302.47814
45.0000 -110.66914 -102.28055 8.38859 2.80937 -102.06180 1156.13700
50.0000 -108.83367 -103.36472 5.46895 2.77230 -102.54465 1152.69076
55.0000 -108.16138 -99.49703 8.66435 2.85498 -101.46777 1155.46203
60.0000 -109.96524 -102.93174 7.03350 2.85849 -101.42210 1189.48700
65.0000 -108.98089 -102.31206 6.66882 2.77815 -102.46840 1123.45540
70.0000 -107.89846 -99.87205 8.02641 2.93055 -100.48362 1256.66473
75.0000 -107.26264 -99.64466 7.61799 3.01648 -99.36446 1281.31017
80.0000 -107.31977 -97.89307 9.42670 3.07086 -98.65620 1393.66162
85.0000 -107.23889 -99.97919 7.25970 3.04583 -98.98230 1324.26353
90.0000 -108.73462 -102.27010 6.46452 2.85284 -101.49574 1201.63290
95.0000 -108.05629 -100.90339 7.15291 2.84519 -101.59526 1168.54503
100.0000 -108.03550 -102.23769 5.79781 2.84167 -101.64118 1127.02551
105.0000 -109.22760 -100.96272 8.26489 2.84095 -101.65047 1123.60478
110.0000 -107.29422 -101.08209 6.21214 2.88314 -101.10110 1187.05015
115.0000 -108.61832 -101.35560 7.26271 2.80034 -102.17947 1110.85195
120.0000 -110.87127 -104.13869 6.73258 2.75811 -102.72946 1123.51269
125.0000 -109.41354 -101.76762 7.64592 2.78583 -102.36834 1110.90505
130.0000 -108.70504 -102.48815 6.21689 2.77294 -102.53627 1143.98316
135.0000 -110.05232 -103.68633 6.36598 2.80785 -102.08159 1169.08618
140.0000 -110.16174 -102.15632 8.00542 2.69952 -103.49249 1077.57160
145.0000 -108.06528 -101.54408 6.52119 2.78328 -102.40158 1130.15172
150.0000 -109.57899 -102.47229 7.10671 2.81788 -101.95104 1156.80575
155.0000 -109.51701 -103.46568 6.05132 2.67716 -103.78366 1045.68408
160.0000 -108.22295 -101.03539 7.18756 2.79006 -102.31329 1177.13360
165.0000 -107.82800 -100.19399 7.63401 2.87861 -101.16000 1209.67267
170.0000 -106.78968 -100.17576 6.61392 2.98405 -99.78688 1253.93380
175.0000 -107.62542 -99.73249 7.89293 3.00504 -99.51353 1291.02600
180.0000 -108.78926 -102.71254 6.07672 2.95501 -100.16510 1256.79342
185.0000 -106.97867 -100.53609 6.44258 2.78796 -102.34065 1148.74558
190.0000 -107.33222 -99.62544 7.70678 2.95995 -100.10077 1247.90503
195.0000 -108.06706 -100.77461 7.29245 2.85741 -101.43619 1171.31369
200.0000 -108.35982 -101.56107 6.79875 2.77677 -102.48641 1098.84155
205.0000 -109.05177 -102.37524 6.67653 2.83453 -101.73420 1175.26576
210.0000 -109.48129 -102.29214 7.18915 2.74827 -102.85754 1095.72207
215.0000 -108.55927 -101.73161 6.82766 2.71577 -103.28089 1078.87673
220.0000 -108.42428 -101.12524 7.29904 2.85705 -101.44081 1212.95056
225.0000 -108.71075 -102.61737 6.09338 2.95008 -100.22922 1274.96007
230.0000 -109.71740 -103.57417 6.14323 2.78128 -102.42771 1125.55501
235.0000 -109.50485 -102.87892 6.62593 2.73589 -103.01874 1095.52532
240.0000 -109.63573 -102.60601 7.02971 2.75780 -102.73347 1100.69397
245.0000 -108.90519 -101.85574 7.04945 2.77338 -102.53050 1112.12387
250.0000 -108.34058 -102.19023 6.15035 2.83779 -101.69162 1170.22975
FREEZING PROCESS: loop number 2 T-loop= 1140.0000000000000
main_MD> interactions number 2 at Temperature= 1140.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 8.33193 1.30663 1.21255
force_rgl> df(natom) -1.82964 1.01939 1.48821
255.0000 -108.53631 -101.02950 7.50681 2.89952 -100.88771 1247.91679
260.0000 -109.59914 -102.60042 6.99872 2.79097 -102.30151 1149.78107
265.0000 -108.88098 -100.78386 8.09713 2.79848 -102.20368 1173.59390
270.0000 -108.53634 -101.68776 6.84858 2.85656 -101.44720 1180.57993
275.0000 -108.44342 -101.26781 7.17561 2.81226 -102.02414 1175.00937
280.0000 -107.34456 -101.19707 6.14749 2.86722 -101.30840 1213.05630
285.0000 -110.36390 -103.01224 7.35166 2.80952 -102.05984 1111.28314
290.0000 -107.57758 -100.96023 6.61735 2.78185 -102.42017 1147.82596
295.0000 -109.84726 -101.60712 8.24014 2.85091 -101.52086 1162.80774
300.0000 -110.22781 -104.15936 6.06845 2.80337 -102.14000 1158.62704
305.0000 -108.89408 -101.07972 7.81435 2.81312 -102.01299 1157.46602
310.0000 -110.41939 -103.22654 7.19285 2.78365 -102.39673 1162.32496
315.0000 -110.47296 -103.82497 6.64799 2.74776 -102.86421 1091.13823
320.0000 -109.85714 -103.58034 6.27680 2.74148 -102.94600 1110.14797
325.0000 -108.15270 -102.17355 5.97916 2.75275 -102.79917 1081.19165
330.0000 -108.13657 -99.99422 8.14235 2.91983 -100.62327 1201.58927
335.0000 -107.75556 -100.41049 7.34507 2.96228 -100.07032 1290.01625
340.0000 -109.15858 -101.07205 8.08653 2.87203 -101.24572 1184.72512
345.0000 -110.99747 -103.91673 7.08075 2.76115 -102.68980 1107.03090
350.0000 -108.37550 -102.85776 5.51774 2.70249 -103.45377 1068.06245
355.0000 -110.23964 -103.50442 6.73522 2.71212 -103.32836 1038.70239
360.0000 -110.90916 -104.08157 6.82759 2.66642 -103.92359 1054.99628
365.0000 -110.59212 -102.92485 7.66727 2.71840 -103.24663 1059.47273
370.0000 -109.62041 -103.55216 6.06825 2.70166 -103.46453 1076.93660
375.0000 -108.87990 -101.80517 7.07473 2.76539 -102.63460 1140.63851
380.0000 -110.51240 -104.90922 5.60318 2.65180 -104.11392 1055.91314
385.0000 -108.31003 -102.33493 5.97510 2.79716 -102.22079 1119.06175
390.0000 -108.13431 -99.84981 8.28450 2.89157 -100.99128 1169.89538
395.0000 -107.96371 -100.83678 7.12693 2.92630 -100.53892 1227.28631
400.0000 -109.81073 -102.18680 7.62392 2.86760 -101.30341 1162.89035
405.0000 -107.57708 -100.58083 6.99625 2.88836 -101.03312 1200.60139
410.0000 -107.87843 -100.00435 7.87409 3.01818 -99.34237 1283.77986
415.0000 -107.69131 -100.83015 6.86116 2.94494 -100.29616 1260.32036
420.0000 -108.24196 -101.78177 6.46019 2.84636 -101.58013 1168.46800
425.0000 -109.08728 -101.95414 7.13313 2.77379 -102.52517 1116.15178
430.0000 -110.12957 -103.70118 6.42839 2.73695 -103.00500 1068.38306
435.0000 -109.13106 -103.13821 5.99284 2.71415 -103.30198 1065.89836
440.0000 -108.78709 -100.94024 7.84685 2.80437 -102.12691 1114.62891
445.0000 -108.79071 -101.93774 6.85297 2.82807 -101.81833 1114.11538
450.0000 -109.01927 -102.59550 6.42377 2.77578 -102.49931 1115.78279
455.0000 -110.04591 -102.89266 7.15324 2.78897 -102.32749 1116.53708
460.0000 -109.01771 -102.41456 6.60315 2.84170 -101.64081 1195.91096
465.0000 -109.78878 -102.25774 7.53103 2.73167 -103.07375 1101.89726
470.0000 -109.18086 -100.94694 8.23392 2.77445 -102.51655 1107.47430
475.0000 -110.98876 -104.51071 6.47805 2.84207 -101.63594 1201.14834
480.0000 -108.88633 -102.47314 6.41318 2.69593 -103.53923 1061.45419
485.0000 -107.80302 -100.37568 7.42734 2.82519 -101.85579 1167.39420
490.0000 -109.76862 -100.72718 9.04145 2.93548 -100.41946 1231.17872
495.0000 -108.28025 -102.90041 5.37983 2.83085 -101.78213 1162.82759
500.0000 -108.78884 -102.42721 6.36164 2.76022 -102.70189 1050.35782
FREEZING PROCESS: loop number 3 T-loop= 1115.0000000000000
main_MD> interactions number 3 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56063 -0.25330 -1.64041
force_rgl> df(natom) 2.12815 -3.34059 2.69705
505.0000 -111.53517 -105.49172 6.04345 2.62178 -104.50497 979.92085
510.0000 -108.47039 -102.84344 5.62694 2.65005 -104.13672 1014.09085
515.0000 -109.16751 -102.55214 6.61537 2.82495 -101.85889 1136.96236
520.0000 -109.06839 -103.51519 5.55320 2.74829 -102.85729 1060.71579
525.0000 -109.20347 -103.33247 5.87101 2.65029 -104.13358 1015.32737
530.0000 -111.51929 -104.59978 6.91951 2.66854 -103.89594 1035.06772
535.0000 -110.46099 -103.76214 6.69886 2.63631 -104.31569 1000.71253
540.0000 -109.27934 -104.00072 5.27862 2.67092 -103.86489 1044.55954
545.0000 -111.89118 -105.39429 6.49689 2.67414 -103.82296 1003.00036
550.0000 -108.12054 -101.32548 6.79506 2.67367 -103.82907 1050.12285
555.0000 -109.31756 -102.60575 6.71182 2.80522 -102.11580 1085.05423
560.0000 -108.88071 -102.09015 6.79056 2.71629 -103.27402 1055.77766
565.0000 -108.12373 -101.37085 6.75289 2.82666 -101.83664 1196.73557
570.0000 -110.28419 -104.29543 5.98876 2.79128 -102.29738 1129.40905
575.0000 -110.49353 -103.11923 7.37430 2.66278 -103.97099 1053.26611
580.0000 -109.01523 -102.03612 6.97911 2.78991 -102.31529 1130.36395
585.0000 -109.04212 -103.23916 5.80296 2.77024 -102.57141 1132.72438
590.0000 -110.29288 -102.84033 7.45255 2.70923 -103.36594 1049.84581
595.0000 -110.26051 -103.31862 6.94189 2.73694 -103.00510 1098.47708
600.0000 -110.17704 -101.74450 8.43254 2.77837 -102.46555 1146.43906
605.0000 -109.28898 -101.41661 7.87237 2.83746 -101.69604 1185.97124
610.0000 -108.79893 -102.91071 5.88822 2.79706 -102.22218 1148.78923
615.0000 -110.21895 -103.34353 6.87542 2.76581 -102.62913 1092.20527
620.0000 -108.33105 -100.70968 7.62136 2.80966 -102.05804 1141.11430
625.0000 -110.38550 -103.08292 7.30258 2.85298 -101.49389 1195.36544
630.0000 -110.27312 -103.37086 6.90226 2.66098 -103.99440 1025.07188
635.0000 -109.83946 -103.35738 6.48208 2.70081 -103.47565 1060.10104
640.0000 -107.53205 -102.37661 5.15544 2.73227 -103.06599 1041.51367
645.0000 -107.12692 -100.16284 6.96408 2.80181 -102.16031 1083.20309
650.0000 -107.92989 -102.36465 5.56524 2.85800 -101.42854 1170.82305
655.0000 -109.69592 -101.83934 7.85658 2.83423 -101.73804 1164.45463
660.0000 -110.38599 -104.08601 6.29998 2.66123 -103.99109 1027.49819
665.0000 -110.84719 -104.26728 6.57990 2.57661 -105.09313 975.73030
670.0000 -110.27835 -103.14835 7.13000 2.68095 -103.73428 1048.19441
675.0000 -107.60833 -101.26473 6.34361 2.79716 -102.22084 1159.26178
680.0000 -108.88485 -101.73603 7.14882 2.82543 -101.85265 1152.31657
685.0000 -108.33174 -102.19806 6.13369 2.82870 -101.81005 1165.33463
690.0000 -109.62697 -101.37985 8.24712 2.81498 -101.98878 1133.18002
695.0000 -109.55284 -102.51467 7.03816 2.80188 -102.15940 1134.11939
700.0000 -108.57270 -102.08209 6.49062 2.81556 -101.98119 1145.06529
705.0000 -108.68118 -100.09634 8.58484 2.88136 -101.12429 1183.83037
710.0000 -109.52362 -101.70108 7.82253 2.90904 -100.76371 1234.62788
715.0000 -109.44715 -101.94762 7.49953 2.80025 -102.18056 1089.67404
720.0000 -106.86588 -99.84340 7.02247 2.86728 -101.30761 1166.31887
725.0000 -109.53998 -102.31481 7.22517 2.78866 -102.33150 1074.78362
730.0000 -110.09992 -101.90705 8.19288 2.84355 -101.61668 1217.67020
735.0000 -109.77803 -102.93885 6.83918 2.76668 -102.61780 1125.97030
740.0000 -109.83313 -102.12655 7.70658 2.75769 -102.73483 1094.57775
745.0000 -109.23272 -103.50379 5.72892 2.76745 -102.60772 1069.63134
750.0000 -109.28268 -103.41183 5.87085 2.69535 -103.54682 1046.47360
FREEZING PROCESS: loop number 4 T-loop= 1090.0000000000000
main_MD> interactions number 4 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24233 -1.75094 0.77544
force_rgl> df(natom) -2.21789 1.07025 1.14017
755.0000 -109.91934 -102.86990 7.04944 2.70083 -103.47535 1043.04586
760.0000 -109.75532 -103.25428 6.50104 2.74945 -102.84218 1070.48908
765.0000 -107.57864 -101.69693 5.88171 2.76274 -102.66910 1084.63800
770.0000 -108.31344 -102.37193 5.94151 2.73568 -103.02150 1078.93117
775.0000 -108.73385 -102.64733 6.08652 2.74697 -102.87454 1047.50459
780.0000 -109.31006 -102.61890 6.69117 2.80217 -102.15559 1115.83253
785.0000 -112.63929 -105.57421 7.06508 2.58315 -105.00803 946.50838
790.0000 -109.69226 -102.06570 7.62656 2.61792 -104.55522 1000.08604
795.0000 -108.44139 -101.72823 6.71316 2.80990 -102.05486 1152.75978
800.0000 -106.91022 -101.65574 5.25447 2.80126 -102.16747 1142.02020
805.0000 -108.34061 -102.05698 6.28363 2.85352 -101.48679 1181.90174
810.0000 -109.00215 -101.90032 7.10183 2.82556 -101.85101 1169.33362
815.0000 -109.22554 -101.92292 7.30262 2.86435 -101.34583 1196.73380
820.0000 -110.17031 -103.41129 6.75902 2.78345 -102.39933 1130.27031
825.0000 -109.42044 -103.97509 5.44536 2.66650 -103.92250 986.61380
830.0000 -108.43942 -102.15891 6.28051 2.74723 -102.87106 1118.17484
835.0000 -108.78463 -103.29780 5.48683 2.82140 -101.90520 1154.74969
840.0000 -107.75794 -102.30070 5.45723 2.73924 -102.97520 1063.99322
845.0000 -110.91953 -105.06774 5.85179 2.73750 -102.99785 1085.17130
850.0000 -109.15024 -103.62938 5.52086 2.61583 -104.58240 991.34716
855.0000 -108.37115 -99.98310 8.38805 2.85401 -101.48045 1178.13972
860.0000 -109.29652 -103.48196 5.81456 2.85153 -101.51275 1158.28704
865.0000 -109.75387 -103.29996 6.45391 2.73460 -103.03562 1063.23226
870.0000 -109.87173 -104.05209 5.81963 2.68707 -103.65466 1043.80576
875.0000 -110.23935 -103.53311 6.70624 2.71584 -103.27991 1016.22382
880.0000 -110.95467 -104.57630 6.37837 2.63823 -104.29068 1013.47749
885.0000 -110.43859 -104.28954 6.14905 2.66535 -103.93743 1035.83769
890.0000 -110.56402 -103.10578 7.45824 2.73728 -103.00065 1111.92671
895.0000 -108.33202 -101.93362 6.39840 2.79468 -102.25311 1166.63462
900.0000 -107.95877 -100.95291 7.00587 2.81681 -101.96487 1150.31297
905.0000 -108.71123 -101.84235 6.86888 2.82790 -101.82044 1180.43361
910.0000 -110.10291 -102.36057 7.74234 2.76466 -102.64413 1132.30143
915.0000 -110.15065 -102.64439 7.50626 2.76074 -102.69522 1131.39529
920.0000 -109.66603 -102.79427 6.87176 2.71816 -103.24974 1037.98683
925.0000 -108.15641 -100.93596 7.22045 2.82294 -101.88514 1142.37369
930.0000 -109.13452 -102.47309 6.66143 2.85024 -101.52956 1095.50566
935.0000 -109.21561 -102.74174 6.47386 2.83786 -101.69081 1133.77852
940.0000 -109.28544 -100.62511 8.66033 2.80471 -102.12255 1142.65782
945.0000 -107.79617 -100.06657 7.72959 2.87407 -101.21920 1201.64457
950.0000 -110.05047 -102.41162 7.63885 2.86659 -101.31656 1195.73680
955.0000 -108.88495 -102.90168 5.98327 2.72235 -103.19515 1062.00096
960.0000 -110.45090 -104.45750 5.99340 2.66736 -103.91136 1024.30447
965.0000 -109.18834 -103.10380 6.08454 2.67239 -103.84585 1029.62077
970.0000 -109.95052 -102.65220 7.29833 2.74607 -102.88625 1086.11634
975.0000 -108.99640 -103.10120 5.89520 2.77632 -102.49231 1106.47154
980.0000 -109.38967 -102.34477 7.04490 2.65742 -104.04071 1031.04567
985.0000 -108.35229 -101.95297 6.39931 2.75412 -102.78141 1138.62046
990.0000 -110.59989 -102.03499 8.56490 2.78595 -102.36689 1115.18818
995.0000 -110.09216 -103.06777 7.02439 2.77433 -102.51823 1097.88895
1000.0000 -109.48262 -102.74838 6.73424 2.77861 -102.46236 1125.80477
FREEZING PROCESS: loop number 5 T-loop= 1065.0000000000000
main_MD> interactions number 5 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.21105 -2.38355 0.18776
force_rgl> df(natom) 3.15945 1.82686 -1.97399
1005.0000 -108.66672 -102.02606 6.64065 2.81910 -101.93515 1159.69508
1010.0000 -108.06155 -102.35263 5.70892 2.77574 -102.49983 1090.56756
1015.0000 -108.28395 -101.24248 7.04148 2.78643 -102.36061 1120.94657
1020.0000 -108.97587 -102.82012 6.15575 2.78285 -102.40720 1079.84700
1025.0000 -107.88296 -102.35003 5.53293 2.81578 -101.97827 1073.99447
1030.0000 -109.90152 -103.61678 6.28473 2.74967 -102.83930 1092.73696
1035.0000 -110.09908 -104.19254 5.90654 2.68651 -103.66186 1042.77829
1040.0000 -109.84390 -102.63791 7.20599 2.72017 -103.22351 1067.75737
1045.0000 -108.61326 -102.61290 6.00036 2.74321 -102.92347 1092.41373
1050.0000 -109.86751 -103.18937 6.67814 2.74226 -102.93577 1117.72146
1055.0000 -109.45261 -103.06073 6.39188 2.75911 -102.71636 1105.55515
1060.0000 -108.96123 -101.69133 7.26991 2.76388 -102.65424 1103.16115
1065.0000 -109.76442 -102.59081 7.17361 2.74077 -102.95526 1064.54079
1070.0000 -110.39990 -103.84315 6.55675 2.69494 -103.55211 1036.73250
1075.0000 -109.66291 -103.93037 5.73254 2.63181 -104.37434 997.69342
1080.0000 -109.30753 -102.99172 6.31582 2.75262 -102.80097 1089.69093
1085.0000 -109.83490 -101.60595 8.22895 2.80809 -102.07850 1165.36603
1090.0000 -108.26582 -99.29433 8.97149 2.92330 -100.57804 1226.30308
1095.0000 -111.40948 -104.64885 6.76063 2.86478 -101.34021 1172.77383
1100.0000 -109.41070 -102.80113 6.60957 2.64100 -104.25467 1020.48813
1105.0000 -110.42618 -104.08576 6.34041 2.64850 -104.15692 1021.52564
1110.0000 -110.11174 -102.98129 7.13045 2.69118 -103.60105 1053.02918
1115.0000 -110.65230 -102.47778 8.17452 2.75782 -102.73312 1088.81732
1120.0000 -109.14624 -102.27689 6.86935 2.78691 -102.35436 1111.75548
1125.0000 -109.31648 -102.69057 6.62591 2.83660 -101.70724 1152.49606
1130.0000 -108.62334 -101.55255 7.07080 2.85122 -101.51679 1202.68134
1135.0000 -110.56022 -104.00319 6.55703 2.77299 -102.53562 1114.45753
1140.0000 -109.39563 -103.92528 5.47035 2.61563 -104.58501 989.21338
1145.0000 -109.72324 -102.83959 6.88365 2.73530 -103.02653 1069.22982
1150.0000 -109.37731 -103.45326 5.92405 2.66182 -103.98342 1048.26875
1155.0000 -109.59327 -102.85967 6.73360 2.72795 -103.12216 1066.87216
1160.0000 -109.99960 -103.86992 6.12968 2.71314 -103.31513 1116.20128
1165.0000 -111.47080 -104.19222 7.27858 2.67805 -103.77202 1066.19460
1170.0000 -110.41816 -104.19469 6.22347 2.59618 -104.83827 1004.55839
1175.0000 -111.23923 -104.40979 6.82944 2.62295 -104.48966 1002.13997
1180.0000 -110.32221 -104.59500 5.72721 2.60429 -104.73266 997.37105
1185.0000 -109.47068 -102.66375 6.80693 2.73550 -103.02392 1107.65326
1190.0000 -109.46965 -102.57128 6.89837 2.75964 -102.70943 1112.90493
1195.0000 -108.32640 -101.16389 7.16251 2.82874 -101.80955 1150.02777
1200.0000 -107.09131 -100.42789 6.66342 2.85526 -101.46416 1165.21550
1205.0000 -109.65104 -101.71630 7.93474 2.87941 -101.14970 1235.62021
1210.0000 -108.23967 -102.13067 6.10900 2.80604 -102.10525 1142.96308
1215.0000 -109.85309 -102.87700 6.97609 2.72261 -103.19176 1046.31292
1220.0000 -111.14084 -104.47623 6.66461 2.62360 -104.48120 1005.26134
1225.0000 -109.15932 -101.97496 7.18435 2.69582 -103.54060 1054.42295
1230.0000 -109.13475 -102.12594 7.00881 2.81459 -101.99378 1143.62257
1235.0000 -110.65898 -104.87336 5.78562 2.71229 -103.32618 1067.59655
1240.0000 -109.45516 -103.38756 6.06760 2.69452 -103.55755 1065.47728
1245.0000 -109.75185 -103.22214 6.52971 2.73320 -103.05380 1076.64228
1250.0000 -109.37606 -103.68549 5.69056 2.70317 -103.44490 1031.95900
FREEZING PROCESS: loop number 6 T-loop= 1040.0000000000000
main_MD> interactions number 6 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.33317 7.21497 -0.86518
force_rgl> df(natom) -0.65120 -0.14397 -2.84607
1255.0000 -108.77634 -102.88443 5.89191 2.70417 -103.43192 1034.63816
1260.0000 -109.26130 -102.85013 6.41117 2.67259 -103.84318 1055.40563
1265.0000 -108.77017 -102.27991 6.49026 2.83423 -101.73800 1159.57337
1270.0000 -109.84216 -103.55945 6.28271 2.73554 -103.02329 1097.07069
1275.0000 -110.66556 -104.46851 6.19705 2.66718 -103.91360 1010.81047
1280.0000 -109.06268 -103.82288 5.23980 2.64248 -104.23533 1026.26127
1285.0000 -109.74896 -104.07384 5.67511 2.59402 -104.86640 995.42388
1290.0000 -110.52667 -104.56411 5.96256 2.61509 -104.59206 997.72124
1295.0000 -111.46701 -104.82586 6.64115 2.61790 -104.55545 982.58235
1300.0000 -109.57447 -103.87394 5.70053 2.64563 -104.19433 1010.12632
1305.0000 -110.18917 -104.69295 5.49622 2.57345 -105.13436 939.89896
1310.0000 -111.21971 -105.12510 6.09461 2.58332 -105.00584 979.23329
1315.0000 -109.86032 -104.23289 5.62743 2.57888 -105.06368 947.45079
1320.0000 -111.20146 -105.34695 5.85452 2.65951 -104.01356 1071.16208
1325.0000 -109.41874 -102.09309 7.32564 2.66135 -103.98956 1052.90607
1330.0000 -109.74156 -102.89697 6.84460 2.75857 -102.72337 1100.75530
1335.0000 -110.88033 -104.47522 6.40511 2.66299 -103.96816 1032.23763
1340.0000 -109.30754 -103.56330 5.74424 2.69600 -103.53824 1086.19425
1345.0000 -110.23354 -105.00123 5.23230 2.63150 -104.37833 1032.42196
1350.0000 -111.00103 -105.63792 5.36311 2.57731 -105.08403 943.96806
1355.0000 -110.54208 -104.90947 5.63261 2.54628 -105.48814 955.14903
1360.0000 -111.73605 -105.59890 6.13714 2.50649 -106.00644 904.10053
1365.0000 -110.96463 -104.41844 6.54618 2.57395 -105.12784 981.71860
1370.0000 -111.06203 -105.38387 5.67817 2.60434 -104.73210 975.17214
1375.0000 -110.22843 -103.75497 6.47346 2.59185 -104.89477 976.71714
1380.0000 -109.40150 -102.08627 7.31523 2.74527 -102.89658 1132.88238
1385.0000 -109.52414 -102.49486 7.02928 2.81689 -101.96388 1125.74241
1390.0000 -110.44087 -103.62746 6.81341 2.71582 -103.28023 1060.99036
1395.0000 -108.07034 -102.38014 5.69020 2.72711 -103.13314 1107.47753
1400.0000 -109.34758 -102.42158 6.92600 2.81977 -101.92631 1140.32179
1405.0000 -109.32798 -102.75692 6.57107 2.79043 -102.30845 1115.45774
1410.0000 -109.22891 -103.24423 5.98468 2.78729 -102.34937 1108.37149
1415.0000 -109.94100 -104.36198 5.57901 2.72743 -103.12894 1083.54603
1420.0000 -110.52037 -104.17337 6.34699 2.61360 -104.61139 987.87766
1425.0000 -111.75130 -106.04802 5.70328 2.55348 -105.39444 963.50491
1430.0000 -109.69068 -104.04635 5.64434 2.62464 -104.46770 999.00228
1435.0000 -109.70410 -102.83768 6.86642 2.71854 -103.24474 1045.67409
1440.0000 -110.18479 -103.95351 6.23128 2.73874 -102.98168 1092.64196
1445.0000 -109.01932 -102.73549 6.28383 2.72181 -103.20214 1054.66517
1450.0000 -108.89842 -101.03707 7.86135 2.82477 -101.86128 1156.29890
1455.0000 -108.55588 -102.48515 6.07073 2.75582 -102.75924 1121.93295
1460.0000 -106.90874 -100.82237 6.08637 2.86694 -101.31204 1157.89867
1465.0000 -110.26207 -102.55196 7.71011 2.80047 -102.17779 1117.43136
1470.0000 -108.98420 -102.61812 6.36609 2.78280 -102.40785 1141.43167
1475.0000 -110.13781 -103.57055 6.56727 2.67784 -103.77487 1010.17905
1480.0000 -110.74043 -104.67065 6.06978 2.63133 -104.38058 1004.39395
1485.0000 -110.97044 -105.80127 5.16917 2.55075 -105.43005 909.19244
1490.0000 -110.82345 -104.45398 6.36947 2.54947 -105.44660 933.15602
1495.0000 -109.23749 -103.10122 6.13627 2.62639 -104.44484 976.32089
1500.0000 -109.65771 -103.91928 5.73843 2.72257 -103.19230 1064.85173
FREEZING PROCESS: loop number 7 T-loop= 1015.0000000000000
main_MD> interactions number 7 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28524 1.50528 1.40424
force_rgl> df(natom) -2.74526 0.61590 -8.57967
1505.0000 -109.77556 -103.38945 6.38611 2.70785 -103.38401 1065.42796
1510.0000 -110.19954 -102.76866 7.43088 2.76766 -102.60502 1117.60119
1515.0000 -110.32276 -103.74958 6.57318 2.64078 -104.25750 986.63768
1520.0000 -110.85286 -103.31731 7.53554 2.67171 -103.85462 1051.29827
1525.0000 -109.77749 -103.62564 6.15186 2.66622 -103.92615 1016.56803
1530.0000 -109.54040 -103.33587 6.20453 2.72480 -103.16323 1096.27132
1535.0000 -111.82662 -105.26524 6.56138 2.70318 -103.44480 1114.14890
1540.0000 -110.01170 -104.44093 5.57077 2.59763 -104.81950 995.95249
1545.0000 -109.22516 -103.34532 5.87983 2.66252 -103.97428 1028.46489
1550.0000 -110.55785 -103.68141 6.87645 2.64756 -104.16923 1015.37340
1555.0000 -111.33971 -104.88190 6.45781 2.67875 -103.76297 1073.64462
1560.0000 -108.82917 -103.98295 4.84623 2.60229 -104.75870 976.37325
1565.0000 -111.50228 -104.16170 7.34059 2.65342 -104.09279 995.90372
1570.0000 -111.86136 -105.96824 5.89313 2.55176 -105.41681 950.59308
1575.0000 -111.11551 -105.74244 5.37308 2.49369 -106.17313 914.96306
1580.0000 -111.91886 -107.65458 4.26428 2.41485 -107.19993 814.69525
1585.0000 -110.70477 -105.43846 5.26631 2.46048 -106.60562 833.71817
1590.0000 -110.29696 -104.36121 5.93575 2.58205 -105.02229 942.62511
1595.0000 -110.83608 -103.46816 7.36791 2.62530 -104.45914 1003.26062
1600.0000 -110.74423 -104.16521 6.57903 2.65738 -104.04124 995.13824
1605.0000 -109.88354 -103.35236 6.53118 2.68179 -103.72337 1040.22357
1610.0000 -110.26472 -103.73887 6.52585 2.68441 -103.68924 1060.76013
1615.0000 -111.14404 -105.01284 6.13120 2.70024 -103.48314 1060.22386
1620.0000 -110.53966 -104.53268 6.00698 2.56162 -105.28847 946.53796
1625.0000 -108.66626 -103.01079 5.65547 2.67575 -103.80208 1057.17500
1630.0000 -110.70882 -101.67077 9.03805 2.77978 -102.44718 1118.40430
1635.0000 -108.51090 -101.92310 6.58780 2.79835 -102.20533 1141.80925
1640.0000 -107.89367 -102.23611 5.65756 2.82603 -101.84480 1147.11845
1645.0000 -109.36100 -103.21278 6.14822 2.75960 -102.70997 1093.00321
1650.0000 -110.12344 -104.11060 6.01284 2.70603 -103.40767 994.06451
1655.0000 -111.91183 -107.58953 4.32230 2.54284 -105.53305 910.50959
1660.0000 -111.84718 -106.32043 5.52675 2.45205 -106.71548 880.48179
1665.0000 -111.72344 -105.31246 6.41099 2.56912 -105.19074 934.97993
1670.0000 -109.87123 -103.72451 6.14672 2.66022 -104.00424 1049.07307
1675.0000 -110.05034 -104.50190 5.54843 2.66000 -104.00713 1021.34053
1680.0000 -112.49279 -106.66964 5.82316 2.60458 -104.72891 989.96400
1685.0000 -111.99941 -106.40180 5.59761 2.51965 -105.83502 920.60427
1690.0000 -112.38815 -106.77517 5.61298 2.47340 -106.43730 884.88978
1695.0000 -112.43430 -106.19898 6.23532 2.48433 -106.29508 894.65449
1700.0000 -111.17200 -105.01046 6.16154 2.51852 -105.84969 933.77100
1705.0000 -110.10935 -103.23126 6.87809 2.64340 -104.22340 982.80648
1710.0000 -110.68631 -105.36135 5.32495 2.68901 -103.62934 1075.29185
1715.0000 -110.78279 -104.95019 5.83260 2.58882 -104.93420 944.49435
1720.0000 -109.94685 -103.98099 5.96586 2.58212 -105.02149 979.84916
1725.0000 -109.17546 -103.23153 5.94393 2.64592 -104.19057 1035.45360
1730.0000 -108.85235 -103.45624 5.39611 2.71186 -103.33176 1049.03874
1735.0000 -109.86798 -103.97662 5.89136 2.69054 -103.60938 1030.49654
1740.0000 -109.99455 -103.51600 6.47855 2.66200 -103.98112 1036.03944
1745.0000 -110.02897 -105.57475 4.45422 2.63618 -104.31741 1016.97075
1750.0000 -112.27022 -106.09108 6.17914 2.50421 -106.03605 906.88298
FREEZING PROCESS: loop number 8 T-loop= 990.00000000000000
main_MD> interactions number 8 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.71603 2.97884 -3.04333
force_rgl> df(natom) 2.01621 -2.15998 1.00671
1755.0000 -111.39496 -105.58797 5.80699 2.45490 -106.67824 873.14806
1760.0000 -110.63020 -106.16375 4.46645 2.51922 -105.84059 940.67216
1765.0000 -111.51293 -104.78448 6.72844 2.59224 -104.88968 973.61985
1770.0000 -111.24905 -105.54114 5.70791 2.51017 -105.95847 924.89690
1775.0000 -110.97360 -105.41162 5.56198 2.50134 -106.07346 930.66759
1780.0000 -112.05627 -106.81405 5.24222 2.48575 -106.27653 878.28155
1785.0000 -111.15912 -105.10069 6.05843 2.51265 -105.92624 936.07492
1790.0000 -110.70994 -105.56731 5.14263 2.56724 -105.21518 956.62541
1795.0000 -113.45947 -107.27987 6.17961 2.47812 -106.37586 908.38276
1800.0000 -111.68021 -105.77054 5.90967 2.52024 -105.82734 933.08889
1805.0000 -108.24738 -102.89380 5.35358 2.64493 -104.20342 998.46438
1810.0000 -110.49307 -105.45253 5.04054 2.63616 -104.31764 1031.12625
1815.0000 -112.01810 -106.54259 5.47551 2.49083 -106.21037 894.20397
1820.0000 -111.97907 -107.20642 4.77265 2.42084 -107.12187 872.78997
1825.0000 -111.70319 -105.62906 6.07413 2.46108 -106.59785 878.38375
1830.0000 -109.18391 -103.10308 6.08083 2.66606 -103.92818 1026.07124
1835.0000 -111.09551 -103.82618 7.26933 2.71058 -103.34839 1047.45429
1840.0000 -110.06697 -103.54893 6.51805 2.73508 -103.02940 1105.02849
1845.0000 -110.74736 -104.99755 5.74981 2.71451 -103.29730 1056.15787
1850.0000 -110.71731 -104.19471 6.52260 2.60293 -104.75037 955.38627
1855.0000 -110.18936 -102.84179 7.34757 2.72865 -103.11308 1051.67475
1860.0000 -109.62319 -103.66124 5.96195 2.73083 -103.08470 1073.96500
1865.0000 -110.71674 -102.53946 8.17728 2.71981 -103.22815 1077.63753
1870.0000 -110.50553 -104.67154 5.83399 2.71320 -103.31427 1097.71905
1875.0000 -111.26388 -105.84367 5.42021 2.54139 -105.55190 947.98553
1880.0000 -111.28272 -103.89515 7.38757 2.59334 -104.87534 969.59343
1885.0000 -111.99392 -106.28498 5.70893 2.57497 -105.11452 972.90225
1890.0000 -111.85802 -105.74202 6.11600 2.44030 -106.86842 847.20863
1895.0000 -111.79639 -105.67230 6.12409 2.53331 -105.65713 933.46401
1900.0000 -110.70549 -104.71909 5.98641 2.55713 -105.34692 933.99093
1905.0000 -111.88612 -105.15337 6.73275 2.56710 -105.21701 921.22161
1910.0000 -110.54079 -104.93803 5.60276 2.48035 -106.34685 880.33347
1915.0000 -111.26443 -104.75472 6.50972 2.60506 -104.72266 970.70492
1920.0000 -110.37457 -104.22116 6.15340 2.64366 -104.21994 1035.10229
1925.0000 -111.29514 -103.73085 7.56429 2.62425 -104.47281 1007.84378
1930.0000 -108.57909 -103.44023 5.13886 2.64388 -104.21712 968.60063
1935.0000 -109.92709 -103.99114 5.93595 2.67732 -103.78158 1006.76487
1940.0000 -111.53230 -105.23149 6.30081 2.59549 -104.84729 993.43827
1945.0000 -111.34545 -106.01559 5.32987 2.58564 -104.97557 949.40887
1950.0000 -110.35420 -104.50074 5.85345 2.57363 -105.13203 962.41600
1955.0000 -110.23169 -104.09884 6.13285 2.66729 -103.91219 1000.04517
1960.0000 -110.91196 -105.01533 5.89662 2.62656 -104.44262 967.30690
1965.0000 -110.81389 -104.44934 6.36455 2.66689 -103.91740 1070.06159
1970.0000 -108.92411 -103.64383 5.28028 2.63045 -104.39197 997.28343
1975.0000 -111.17616 -105.82479 5.35137 2.55772 -105.33922 968.99442
1980.0000 -112.40820 -106.72814 5.68006 2.47109 -106.46746 862.86867
1985.0000 -110.87319 -104.25352 6.61967 2.53263 -105.66600 954.26873
1990.0000 -110.69134 -105.01371 5.67763 2.53938 -105.57807 946.16953
1995.0000 -110.71214 -104.89052 5.82162 2.59175 -104.89599 950.14383
2000.0000 -111.57560 -106.23019 5.34541 2.55690 -105.34984 925.35457
FREEZING PROCESS: loop number 9 T-loop= 965.00000000000000
main_MD> interactions number 9 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.32579 3.86451 -5.57364
force_rgl> df(natom) 0.02024 0.90356 -1.01423
2005.0000 -111.46397 -105.03252 6.43144 2.49794 -106.11774 887.09040
2010.0000 -109.74716 -104.22067 5.52649 2.62196 -104.50255 1004.56668
2015.0000 -110.57531 -103.76110 6.81421 2.68398 -103.69486 1000.77668
2020.0000 -110.63356 -102.94129 7.69227 2.71324 -103.31378 1083.98627
2025.0000 -109.70106 -103.15267 6.54839 2.69745 -103.51947 1057.34450
2030.0000 -109.30353 -103.20263 6.10090 2.75724 -102.74080 1103.56022
2035.0000 -110.03425 -102.90608 7.12816 2.71712 -103.26324 1058.02460
2040.0000 -110.11046 -103.66343 6.44702 2.65406 -104.08450 1059.65206
2045.0000 -112.75744 -106.40956 6.34789 2.54849 -105.45944 920.64815
2050.0000 -112.01958 -106.18024 5.83934 2.45352 -106.69629 904.09802
2055.0000 -111.13334 -106.31880 4.81453 2.48611 -106.27180 900.95626
2060.0000 -111.49022 -105.42828 6.06194 2.51993 -105.83134 923.15619
2065.0000 -111.47967 -105.88956 5.59012 2.54616 -105.48979 937.87752
2070.0000 -110.74098 -105.45228 5.28869 2.56225 -105.28028 944.54291
2075.0000 -111.42869 -105.18202 6.24666 2.59781 -104.81706 1005.10146
2080.0000 -110.50764 -105.63931 4.86834 2.55020 -105.43720 928.64736
2085.0000 -111.55505 -105.63949 5.91556 2.56683 -105.22055 919.71094
2090.0000 -112.15004 -107.33607 4.81397 2.52585 -105.75421 922.21786
2095.0000 -111.51932 -105.92350 5.59582 2.49057 -106.21379 939.82140
2100.0000 -111.33253 -105.02008 6.31245 2.45126 -106.72576 900.58913
2105.0000 -110.60976 -104.84599 5.76377 2.58104 -105.03549 940.35353
2110.0000 -112.30293 -106.88395 5.41898 2.53965 -105.57455 935.98757
2115.0000 -110.99807 -105.46417 5.53389 2.47953 -106.35759 915.18064
2120.0000 -110.15321 -103.39761 6.75561 2.63953 -104.27377 1008.44481
2125.0000 -109.67883 -104.11314 5.56570 2.62360 -104.48115 985.57737
2130.0000 -110.17124 -103.71495 6.45629 2.63084 -104.38687 996.24269
2135.0000 -112.00519 -106.48289 5.52230 2.57192 -105.15424 983.61091
2140.0000 -112.72588 -107.07161 5.65428 2.48922 -106.23139 922.85612
2145.0000 -112.05707 -107.18380 4.87326 2.41494 -107.19878 856.82964
2150.0000 -111.12879 -104.19486 6.93393 2.52614 -105.75048 952.92442
2155.0000 -109.79242 -103.77457 6.01785 2.67874 -103.76307 1044.69846
2160.0000 -111.18899 -105.58523 5.60376 2.60692 -104.69850 1012.79606
2165.0000 -111.37205 -106.00617 5.36588 2.48221 -106.32269 888.12173
2170.0000 -111.26911 -105.72630 5.54280 2.47352 -106.43578 872.40147
2175.0000 -109.99213 -103.41964 6.57249 2.60053 -104.78166 986.16104
2180.0000 -108.87759 -102.50642 6.37117 2.67612 -103.79722 1003.85815
2185.0000 -108.56975 -102.47406 6.09569 2.73550 -103.02393 1060.77466
2190.0000 -111.89438 -105.51527 6.37911 2.67865 -103.76431 1012.20367
2195.0000 -110.26877 -105.26092 5.00784 2.56975 -105.18260 1006.79964
2200.0000 -111.47757 -105.63020 5.84737 2.57731 -105.08409 983.94123
2205.0000 -111.12825 -105.27112 5.85712 2.56900 -105.19235 990.47091
2210.0000 -109.56079 -103.17631 6.38448 2.60811 -104.68295 984.88084
2215.0000 -110.08282 -103.92630 6.15652 2.69838 -103.50729 1034.14062
2220.0000 -111.73422 -106.04746 5.68676 2.64071 -104.25841 1004.89252
2225.0000 -111.44965 -106.06866 5.38099 2.49058 -106.21362 918.99022
2230.0000 -110.63980 -105.55267 5.08713 2.49245 -106.18920 903.29768
2235.0000 -112.41026 -105.88891 6.52134 2.52117 -105.81518 895.07399
2240.0000 -110.19086 -105.22885 4.96201 2.49540 -106.15082 916.77218
2245.0000 -111.55038 -105.03188 6.51850 2.63461 -104.33789 1030.70884
2250.0000 -110.93723 -104.27927 6.65796 2.61563 -104.58497 1000.38310
FREEZING PROCESS: loop number 10 T-loop= 940.00000000000000
main_MD> interactions number 10 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.97553 4.12873 4.79185
force_rgl> df(natom) -1.00286 -1.77574 2.35961
2255.0000 -112.04748 -106.40413 5.64334 2.53386 -105.65002 928.05323
2260.0000 -111.02657 -105.03698 5.98958 2.48918 -106.23187 906.81458
2265.0000 -111.32124 -104.61231 6.70894 2.60861 -104.67645 971.84704
2270.0000 -111.49371 -105.16413 6.32957 2.57400 -105.12715 969.10484
2275.0000 -111.74797 -106.39443 5.35354 2.54009 -105.56883 972.72560
2280.0000 -111.22184 -104.18595 7.03589 2.57654 -105.09408 979.14617
2285.0000 -110.73542 -105.99464 4.74078 2.58777 -104.94787 1012.29228
2290.0000 -111.11825 -104.14586 6.97239 2.55029 -105.43603 927.19254
2295.0000 -110.39608 -105.05346 5.34263 2.59677 -104.83060 979.47360
2300.0000 -111.11760 -107.09396 4.02363 2.53121 -105.68445 932.77409
2305.0000 -110.43336 -105.08427 5.34909 2.52810 -105.72494 866.30346
2310.0000 -110.83102 -105.42911 5.40191 2.57557 -105.10671 950.02230
2315.0000 -111.16258 -105.53237 5.63021 2.54880 -105.45542 914.00805
2320.0000 -110.56131 -104.69742 5.86388 2.59230 -104.88892 970.92067
2325.0000 -111.72627 -106.63604 5.09023 2.50946 -105.96780 885.51409
2330.0000 -112.39138 -107.97588 4.41550 2.39738 -107.42739 822.72905
2335.0000 -111.02785 -106.41347 4.61438 2.42828 -107.02502 859.87911
2340.0000 -111.84319 -106.45225 5.39095 2.51985 -105.83236 920.21738
2345.0000 -111.41911 -105.90244 5.51667 2.45916 -106.62286 883.35343
2350.0000 -110.25765 -105.54334 4.71431 2.52808 -105.72524 947.14570
2355.0000 -110.63167 -105.12126 5.51041 2.53270 -105.66508 904.42435
2360.0000 -111.48082 -107.01680 4.46402 2.53178 -105.67710 906.96912
2365.0000 -112.68291 -107.18472 5.49819 2.37061 -107.77600 814.75962
2370.0000 -112.06438 -106.00888 6.05550 2.48697 -106.26062 913.31382
2375.0000 -110.84637 -105.10226 5.74411 2.54690 -105.48006 920.94890
2380.0000 -110.33257 -104.35466 5.97791 2.57474 -105.11751 945.15772
2385.0000 -110.33701 -104.74014 5.59687 2.63105 -104.38424 1017.44275
2390.0000 -111.62342 -105.66748 5.95594 2.56148 -105.29023 976.62760
2395.0000 -112.42562 -106.55556 5.87006 2.49966 -106.09542 871.99023
2400.0000 -111.34693 -106.13225 5.21468 2.43841 -106.89308 882.96408
2405.0000 -110.87584 -105.09803 5.77781 2.54326 -105.52750 937.30662
2410.0000 -111.84057 -105.67755 6.16302 2.56677 -105.22130 987.02697
2415.0000 -110.61692 -105.87832 4.73860 2.52825 -105.72303 936.33568
2420.0000 -110.09690 -103.50240 6.59450 2.53732 -105.60491 938.60656
2425.0000 -111.08105 -104.23616 6.84489 2.59240 -104.88757 984.32804
2430.0000 -111.23800 -104.88479 6.35321 2.66604 -103.92855 1018.08010
2435.0000 -109.43637 -103.01768 6.41869 2.68967 -103.62079 1044.93627
2440.0000 -110.42203 -104.35696 6.06507 2.67153 -103.85695 1012.94994
2445.0000 -109.89370 -103.68351 6.21019 2.64070 -104.25845 989.10145
2450.0000 -110.26124 -104.65298 5.60825 2.61805 -104.55350 1010.54281
2455.0000 -110.53909 -104.76592 5.77317 2.65260 -104.10350 1037.29361
2460.0000 -110.92844 -104.62916 6.29928 2.57479 -105.11689 967.84698
2465.0000 -111.72256 -105.77561 5.94695 2.57233 -105.14895 975.48864
2470.0000 -111.66324 -105.78410 5.87914 2.53062 -105.69210 928.40358
2475.0000 -111.06467 -104.30963 6.75504 2.58697 -104.95832 972.79528
2480.0000 -112.90559 -106.56798 6.33760 2.57763 -105.07994 986.98896
2485.0000 -111.13122 -104.93308 6.19815 2.50786 -105.98856 923.35644
2490.0000 -112.06659 -105.91987 6.14672 2.53320 -105.65850 970.79166
2495.0000 -111.55843 -105.41130 6.14713 2.59232 -104.88856 964.51936
2500.0000 -110.83945 -105.83872 5.00073 2.51530 -105.89172 898.66132
FREEZING PROCESS: loop number 11 T-loop= 915.00000000000000
main_MD> interactions number 11 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.02980 6.26408 -8.91805
force_rgl> df(natom) 3.37478 -1.01799 3.75314
2505.0000 -112.26651 -106.32456 5.94196 2.48813 -106.24553 910.02821
2510.0000 -112.44453 -106.96301 5.48153 2.51629 -105.87878 950.76483
2515.0000 -110.97528 -105.57916 5.39612 2.53481 -105.63758 880.39689
2520.0000 -110.91144 -105.70276 5.20868 2.49295 -106.18277 849.01711
2525.0000 -112.07096 -106.13803 5.93293 2.55090 -105.42806 924.73151
2530.0000 -111.45571 -106.53332 4.92239 2.54193 -105.54484 944.67966
2535.0000 -111.53741 -104.71486 6.82254 2.53379 -105.65089 949.72368
2540.0000 -113.22076 -106.91442 6.30634 2.52103 -105.81699 949.16597
2545.0000 -112.69175 -107.06602 5.62573 2.45793 -106.63886 877.16472
2550.0000 -111.46378 -104.31084 7.15294 2.51272 -105.92530 892.57877
2555.0000 -111.01330 -105.15736 5.85594 2.58843 -104.93929 982.55357
2560.0000 -111.14375 -106.29050 4.85325 2.58177 -105.02593 947.99552
2565.0000 -111.42583 -106.07527 5.35056 2.52562 -105.75722 926.64688
2570.0000 -111.14701 -104.97643 6.17058 2.55856 -105.32832 942.27857
2575.0000 -111.07024 -106.31321 4.75703 2.45595 -106.66464 866.00190
2580.0000 -111.52720 -106.97616 4.55105 2.47101 -106.46847 883.40818
2585.0000 -109.56702 -104.39458 5.17244 2.54266 -105.53539 907.09456
2590.0000 -111.17254 -104.83721 6.33533 2.67324 -103.83477 1050.02951
2595.0000 -110.01395 -104.62627 5.38769 2.60109 -104.77438 990.49031
2600.0000 -111.30501 -105.51247 5.79253 2.60729 -104.69364 1009.73007
2605.0000 -111.65339 -105.38602 6.26737 2.56979 -105.18196 953.05418
2610.0000 -111.17970 -103.81134 7.36837 2.57016 -105.17721 981.48845
2615.0000 -111.91421 -105.23050 6.68371 2.64803 -104.16302 998.94961
2620.0000 -110.85132 -106.39588 4.45544 2.56576 -105.23452 940.70562
2625.0000 -112.02759 -106.10680 5.92079 2.48381 -106.30178 916.85866
2630.0000 -111.94355 -107.39808 4.54548 2.47220 -106.45300 892.16972
2635.0000 -111.93604 -107.29619 4.63985 2.38042 -107.64829 841.57197
2640.0000 -111.52698 -106.14675 5.38023 2.48305 -106.31166 873.80719
2645.0000 -112.35049 -107.53181 4.81868 2.41372 -107.21457 820.34962
2650.0000 -110.58241 -105.51289 5.06952 2.45497 -106.67740 867.54545
2655.0000 -111.82517 -106.12651 5.69866 2.44968 -106.74635 871.64396
2660.0000 -111.24326 -105.00562 6.23764 2.56306 -105.26964 986.02526
2665.0000 -110.93244 -103.93670 6.99575 2.67590 -103.80008 1054.64669
2670.0000 -112.77277 -108.23722 4.53555 2.44523 -106.80424 848.59976
2675.0000 -112.03024 -106.72795 5.30229 2.38732 -107.55847 794.41818
2680.0000 -113.39797 -106.77864 6.61933 2.47895 -106.36502 905.37094
2685.0000 -110.74732 -106.63781 4.10950 2.46436 -106.55507 893.16697
2690.0000 -110.91002 -106.27899 4.63102 2.50880 -105.97628 911.15615
2695.0000 -110.66928 -104.76361 5.90567 2.55342 -105.39525 894.44220
2700.0000 -110.58431 -104.39793 6.18639 2.64195 -104.24221 976.99493
2705.0000 -111.03010 -104.61576 6.41434 2.59661 -104.83267 971.13166
2710.0000 -110.82580 -105.10215 5.72365 2.61153 -104.63842 994.61789
2715.0000 -111.28798 -106.21835 5.06963 2.58790 -104.94618 968.95033
2720.0000 -112.86137 -107.43313 5.42824 2.47135 -106.46409 898.24562
2725.0000 -112.54661 -106.23309 6.31352 2.47583 -106.40577 932.09548
2730.0000 -110.59807 -104.83986 5.75821 2.54396 -105.51840 961.09486
2735.0000 -111.84733 -107.03845 4.80889 2.54390 -105.51914 928.76176
2740.0000 -111.21982 -106.79406 4.42576 2.43319 -106.96103 855.50374
2745.0000 -111.72056 -106.34503 5.37553 2.43902 -106.88513 873.73484
2750.0000 -112.82853 -107.80110 5.02743 2.40861 -107.28118 836.50932
FREEZING PROCESS: loop number 12 T-loop= 890.00000000000000
main_MD> interactions number 12 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02868 -1.87038 -1.10705
force_rgl> df(natom) -1.69046 0.91962 -1.94229
2755.0000 -112.89331 -107.74432 5.14899 2.34109 -108.16048 785.49168
2760.0000 -113.23329 -108.39522 4.83807 2.30382 -108.64593 743.82675
2765.0000 -112.47788 -105.96977 6.50811 2.43997 -106.87279 865.23109
2770.0000 -111.85183 -106.53683 5.31500 2.40566 -107.31961 843.13718
2775.0000 -111.51723 -106.15340 5.36383 2.46584 -106.53585 946.98627
2780.0000 -111.86268 -106.68235 5.18032 2.54504 -105.50440 956.80470
2785.0000 -111.51393 -106.18704 5.32688 2.48467 -106.29053 887.50960
2790.0000 -111.12692 -106.32777 4.79915 2.48693 -106.26121 876.68260
2795.0000 -111.13999 -104.67504 6.46496 2.58647 -104.96482 967.88417
2800.0000 -111.48913 -105.41138 6.07775 2.57962 -105.05393 968.84505
2805.0000 -112.01917 -106.09958 5.91959 2.54008 -105.56892 945.09892
2810.0000 -111.03898 -105.86670 5.17228 2.61238 -104.62732 974.43525
2815.0000 -112.09287 -107.16165 4.93122 2.47555 -106.40943 889.11891
2820.0000 -112.01127 -105.85779 6.15348 2.51387 -105.91026 895.97203
2825.0000 -111.94071 -106.55676 5.38395 2.46508 -106.54574 898.56430
2830.0000 -112.38128 -106.17781 6.20347 2.51625 -105.87936 904.80654
2835.0000 -110.98809 -106.23887 4.74922 2.47742 -106.38503 878.35667
2840.0000 -109.30615 -104.80059 4.50556 2.55071 -105.43048 953.33374
2845.0000 -110.80445 -105.25447 5.54999 2.58191 -105.02413 929.45154
2850.0000 -110.04673 -103.75076 6.29597 2.62827 -104.42041 1013.32919
2855.0000 -109.39789 -104.03878 5.35912 2.64746 -104.17048 971.22808
2860.0000 -110.94588 -105.61154 5.33434 2.62562 -104.45487 975.18608
2865.0000 -110.84846 -106.36667 4.48179 2.50779 -105.98947 894.63825
2870.0000 -110.99698 -105.38816 5.60882 2.50627 -106.00926 883.67097
2875.0000 -112.02369 -106.68325 5.34044 2.48748 -106.25397 903.04717
2880.0000 -111.52832 -106.09439 5.43393 2.45932 -106.62069 872.39232
2885.0000 -110.44581 -104.47686 5.96896 2.49361 -106.17422 905.10926
2890.0000 -110.73659 -104.79368 5.94291 2.63571 -104.32355 1012.46463
2895.0000 -113.01218 -106.78481 6.22737 2.53429 -105.64433 938.29438
2900.0000 -111.36780 -106.18875 5.17904 2.52182 -105.80674 923.17123
2905.0000 -112.97071 -106.99144 5.97927 2.47578 -106.40639 887.61702
2910.0000 -111.51537 -107.35035 4.16502 2.42267 -107.09812 822.07939
2915.0000 -112.27366 -106.77781 5.49585 2.41032 -107.25884 820.00963
2920.0000 -112.34503 -105.93517 6.40986 2.45774 -106.64132 877.45058
2925.0000 -110.86992 -106.38580 4.48412 2.51995 -105.83113 925.42213
2930.0000 -112.15053 -107.42089 4.72964 2.38468 -107.59279 783.25625
2935.0000 -110.04239 -105.01889 5.02350 2.47581 -106.40600 902.54390
2940.0000 -111.03733 -105.06247 5.97486 2.58458 -104.98944 970.25251
2945.0000 -110.54095 -106.36859 4.17236 2.53463 -105.63996 882.56558
2950.0000 -112.92128 -106.21211 6.70917 2.47397 -106.42995 863.78458
2955.0000 -112.03570 -106.53018 5.50551 2.46774 -106.51104 906.77548
2960.0000 -111.13531 -104.86113 6.27418 2.52399 -105.77844 925.80620
2965.0000 -111.43745 -106.51566 4.92179 2.54352 -105.52418 934.99556
2970.0000 -111.52808 -105.53055 5.99753 2.49662 -106.13494 861.97336
2975.0000 -112.12986 -106.96776 5.16210 2.50833 -105.98251 930.47221
2980.0000 -112.24671 -107.50321 4.74350 2.39984 -107.39535 791.35510
2985.0000 -112.03937 -105.91929 6.12009 2.43244 -106.97083 861.87382
2990.0000 -111.53537 -106.24781 5.28757 2.54571 -105.49565 919.29630
2995.0000 -111.12530 -106.18181 4.94349 2.52064 -105.82211 915.58028
3000.0000 -111.14017 -105.95159 5.18858 2.46098 -106.59909 843.34549
FREEZING PROCESS: loop number 13 T-loop= 865.00000000000000
main_MD> interactions number 13 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.74986 -0.26437 1.49823
force_rgl> df(natom) 7.05519 1.02739 0.43242
3005.0000 -111.63963 -105.38917 6.25046 2.50252 -106.05817 895.93075
3010.0000 -111.90779 -106.96223 4.94557 2.52306 -105.79058 919.63412
3015.0000 -112.78672 -107.50365 5.28307 2.45353 -106.69617 850.22851
3020.0000 -111.41507 -106.56616 4.84892 2.39899 -107.40645 841.01580
3025.0000 -112.44045 -107.47498 4.96547 2.40685 -107.30414 834.25984
3030.0000 -111.82402 -105.81583 6.00819 2.43649 -106.91802 865.26853
3035.0000 -110.87206 -106.35646 4.51560 2.49389 -106.17047 890.14505
3040.0000 -111.72834 -106.74600 4.98234 2.45116 -106.72694 869.83566
3045.0000 -111.09091 -105.97943 5.11148 2.52261 -105.79646 910.41545
3050.0000 -111.45812 -106.49864 4.95948 2.52604 -105.75181 901.31290
3055.0000 -112.41982 -107.61214 4.80768 2.45777 -106.64094 862.95001
3060.0000 -112.20066 -106.59246 5.60820 2.44508 -106.80620 861.12758
3065.0000 -112.56162 -107.32403 5.23759 2.41331 -107.21994 825.55206
3070.0000 -112.68883 -108.17296 4.51586 2.29377 -108.77679 757.04414
3075.0000 -112.10123 -107.49995 4.60128 2.37025 -107.78069 851.99966
3080.0000 -111.27874 -106.35711 4.92163 2.45298 -106.70330 881.16897
3085.0000 -111.49652 -106.62819 4.86834 2.46209 -106.58462 888.59864
3090.0000 -113.25281 -106.51991 6.73290 2.45084 -106.73119 881.12542
3095.0000 -112.27369 -106.85340 5.42030 2.39779 -107.42205 840.57758
3100.0000 -113.63183 -108.40971 5.22211 2.41955 -107.13872 843.16437
3105.0000 -113.27031 -107.69635 5.57396 2.37265 -107.74953 818.11042
3110.0000 -111.52673 -106.40092 5.12581 2.43873 -106.88887 852.53452
3115.0000 -111.78695 -106.77225 5.01470 2.45621 -106.66121 918.82028
3120.0000 -111.78652 -106.69014 5.09638 2.42557 -107.06031 835.63079
3125.0000 -111.65290 -106.45226 5.20064 2.49642 -106.13757 917.37960
3130.0000 -111.06327 -104.67730 6.38597 2.54288 -105.53242 924.82955
3135.0000 -111.74221 -105.70407 6.03814 2.55868 -105.32675 939.61524
3140.0000 -110.46125 -104.90891 5.55234 2.58859 -104.93720 954.66931
3145.0000 -111.89201 -105.12430 6.76771 2.51883 -105.84575 944.48177
3150.0000 -111.94686 -106.29508 5.65178 2.52824 -105.72313 936.57045
3155.0000 -110.30830 -104.17999 6.12831 2.61166 -104.63672 978.29482
3160.0000 -111.10890 -106.29887 4.81003 2.59348 -104.87354 926.56765
3165.0000 -112.67720 -106.72332 5.95388 2.48990 -106.22242 874.12829
3170.0000 -112.80216 -107.35707 5.44509 2.42534 -107.06322 844.00900
3175.0000 -111.55128 -106.56699 4.98429 2.47401 -106.42941 874.11167
3180.0000 -112.66927 -106.80663 5.86264 2.40938 -107.27109 854.86420
3185.0000 -110.59404 -105.38840 5.20564 2.51253 -105.92779 918.07526
3190.0000 -111.80928 -104.88475 6.92453 2.53882 -105.58534 908.46326
3195.0000 -110.01745 -104.75954 5.25791 2.59760 -104.81981 1007.53728
3200.0000 -111.14965 -105.40325 5.74640 2.51665 -105.87414 917.38855
3205.0000 -111.56214 -105.74298 5.81916 2.50898 -105.97404 918.33203
3210.0000 -112.07557 -107.17737 4.89820 2.47236 -106.45094 902.62927
3215.0000 -112.51041 -106.85692 5.65349 2.38614 -107.57382 810.00029
3220.0000 -111.37542 -106.54234 4.83308 2.45782 -106.64030 850.27313
3225.0000 -112.76840 -106.87318 5.89522 2.45224 -106.71292 875.92767
3230.0000 -111.72151 -105.36621 6.35530 2.50084 -106.07998 920.12499
3235.0000 -110.68323 -105.66871 5.01451 2.53297 -105.66161 915.09925
3240.0000 -113.17129 -107.59696 5.57433 2.44762 -106.77308 901.75964
3245.0000 -112.35738 -107.19558 5.16179 2.38867 -107.54086 845.37125
3250.0000 -111.89309 -106.41106 5.48203 2.43093 -106.99046 840.01485
FREEZING PROCESS: loop number 14 T-loop= 840.00000000000000
main_MD> interactions number 14 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19003 -3.66445 -1.78471
force_rgl> df(natom) -1.09763 -3.56933 -1.28686
3255.0000 -111.26402 -106.41035 4.85367 2.49612 -106.14147 875.10096
3260.0000 -112.10062 -107.36152 4.73911 2.40396 -107.34173 763.63808
3265.0000 -113.20303 -108.50283 4.70020 2.37491 -107.72005 770.46850
3270.0000 -114.43143 -108.89971 5.53172 2.34002 -108.17440 795.92982
3275.0000 -113.20360 -108.72737 4.47623 2.32350 -108.38966 783.33317
3280.0000 -111.89068 -107.33390 4.55679 2.38886 -107.53843 815.51011
3285.0000 -111.71052 -106.85351 4.85701 2.39376 -107.47462 825.34504
3290.0000 -112.27228 -106.49186 5.78042 2.45825 -106.63471 852.38853
3295.0000 -111.77823 -106.28610 5.49213 2.45235 -106.71156 831.17799
3300.0000 -111.32125 -106.74857 4.57268 2.53105 -105.68651 901.09935
3305.0000 -112.95904 -107.47864 5.48040 2.41019 -107.26060 818.40757
3310.0000 -111.44795 -106.56815 4.87981 2.41587 -107.18665 798.88545
3315.0000 -112.24379 -108.13381 4.10999 2.42264 -107.09841 830.69914
3320.0000 -112.84745 -108.69542 4.15203 2.34989 -108.04595 767.80195
3325.0000 -111.73784 -107.16117 4.57667 2.34325 -108.13234 793.36073
3330.0000 -111.76148 -106.19849 5.56299 2.39941 -107.40103 845.84010
3335.0000 -111.81786 -107.24585 4.57201 2.48446 -106.29335 896.15183
3340.0000 -114.02965 -109.20827 4.82138 2.33014 -108.30315 766.90157
3345.0000 -112.98384 -108.00200 4.98184 2.32753 -108.33712 774.84136
3350.0000 -112.00355 -107.37025 4.63330 2.42509 -107.06652 868.09194
3355.0000 -112.26089 -106.95561 5.30527 2.43134 -106.98507 845.49745
3360.0000 -112.46873 -106.27231 6.19641 2.45307 -106.70217 849.07550
3365.0000 -112.64489 -106.78150 5.86339 2.48531 -106.28225 897.70439
3370.0000 -112.33704 -107.37313 4.96391 2.37533 -107.71465 810.04080
3375.0000 -113.40990 -107.64718 5.76271 2.43305 -106.96291 847.47628
3380.0000 -112.95944 -108.29718 4.66226 2.32508 -108.36908 798.21293
3385.0000 -112.15132 -106.72154 5.42978 2.40907 -107.27522 857.01511
3390.0000 -110.26384 -105.76581 4.49802 2.43464 -106.94210 852.89849
3395.0000 -111.00066 -106.28277 4.71789 2.55261 -105.40573 904.05359
3400.0000 -112.77546 -108.32645 4.44901 2.40812 -107.28751 789.22428
3405.0000 -111.62123 -106.92450 4.69674 2.39222 -107.49462 830.94737
3410.0000 -110.74712 -105.05091 5.69622 2.48275 -106.31562 879.12888
3415.0000 -112.26871 -107.79215 4.47656 2.49971 -106.09465 878.70349
3420.0000 -113.62019 -108.38280 5.23739 2.33646 -108.22077 811.13452
3425.0000 -112.16860 -107.66495 4.50365 2.35260 -108.01058 817.96243
3430.0000 -112.21323 -107.94815 4.26508 2.40758 -107.29453 835.47142
3435.0000 -110.90838 -106.30055 4.60783 2.40050 -107.38679 802.01945
3440.0000 -110.93653 -105.50678 5.42974 2.46561 -106.53887 873.63057
3445.0000 -111.86698 -106.56805 5.29893 2.45196 -106.71662 833.73321
3450.0000 -111.39214 -105.57374 5.81841 2.47073 -106.47210 876.83068
3455.0000 -111.00945 -106.16971 4.83974 2.53819 -105.59356 910.22585
3460.0000 -111.57646 -106.22314 5.35332 2.47398 -106.42981 888.06882
3465.0000 -111.70043 -105.91894 5.78149 2.51533 -105.89131 884.33393
3470.0000 -112.76210 -106.92586 5.83623 2.47963 -106.35622 899.12627
3475.0000 -112.09265 -107.21321 4.87944 2.47288 -106.44419 932.14431
3480.0000 -112.21420 -107.62843 4.58576 2.40271 -107.35805 835.05359
3485.0000 -112.23969 -106.70198 5.53770 2.42238 -107.10179 823.70269
3490.0000 -113.99922 -107.20387 6.79535 2.41177 -107.24001 828.95924
3495.0000 -112.97418 -108.04118 4.93299 2.40675 -107.30535 835.50097
3500.0000 -113.18756 -107.92243 5.26513 2.38004 -107.65330 807.75632
FREEZING PROCESS: loop number 15 T-loop= 815.00000000000000
main_MD> interactions number 15 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62867 1.19534 2.15835
force_rgl> df(natom) 1.69105 1.56024 1.92868
3505.0000 -113.04269 -107.55277 5.48992 2.42231 -107.10276 842.34322
3510.0000 -111.91436 -106.88124 5.03312 2.38769 -107.55362 803.52757
3515.0000 -112.65219 -108.05941 4.59278 2.35595 -107.96696 802.05050
3520.0000 -113.41790 -108.73073 4.68717 2.34935 -108.05288 800.90442
3525.0000 -113.45118 -109.01325 4.43793 2.26780 -109.11508 721.70241
3530.0000 -113.04885 -107.79451 5.25434 2.35869 -107.93134 807.98308
3535.0000 -111.76670 -106.60859 5.15810 2.38496 -107.58913 832.70827
3540.0000 -112.42552 -107.40296 5.02257 2.43035 -106.99807 860.09600
3545.0000 -111.60733 -107.14223 4.46510 2.43324 -106.96041 829.91277
3550.0000 -111.31326 -104.51204 6.80121 2.51467 -105.89993 883.22379
3555.0000 -113.24104 -108.22542 5.01562 2.45666 -106.65540 860.45610
3560.0000 -112.83115 -107.74386 5.08730 2.35374 -107.99578 779.96028
3565.0000 -112.63134 -107.94145 4.68989 2.37169 -107.76204 828.73644
3570.0000 -111.61237 -106.43985 5.17253 2.34553 -108.10270 791.97818
3575.0000 -112.25454 -106.85170 5.40284 2.42890 -107.01688 826.23153
3580.0000 -112.73125 -107.84985 4.88140 2.43722 -106.90851 865.05546
3585.0000 -113.15185 -107.54296 5.60889 2.42157 -107.11241 826.89152
3590.0000 -112.84330 -107.91021 4.93308 2.38195 -107.62834 807.99566
3595.0000 -112.44778 -106.79416 5.65362 2.39934 -107.40192 823.90118
3600.0000 -111.94443 -106.70067 5.24375 2.42198 -107.10699 859.37916
3605.0000 -113.39798 -109.31780 4.08019 2.35520 -107.97671 811.32688
3610.0000 -113.52119 -109.07772 4.44347 2.27649 -109.00185 717.47215
3615.0000 -113.91855 -109.22863 4.68993 2.32389 -108.38455 790.19462
3620.0000 -113.44240 -109.45046 3.99194 2.27550 -109.01469 750.09183
3625.0000 -112.90906 -108.28365 4.62541 2.28932 -108.83470 729.92283
3630.0000 -112.95250 -108.19219 4.76030 2.37515 -107.71695 800.06656
3635.0000 -112.34044 -108.28846 4.05198 2.29388 -108.77541 730.07029
3640.0000 -113.07461 -107.36359 5.71102 2.37997 -107.65416 799.46056
3645.0000 -111.84524 -106.54207 5.30317 2.42552 -107.06093 858.49004
3650.0000 -112.46742 -107.90336 4.56406 2.41752 -107.16506 812.34652
3655.0000 -112.46873 -107.90558 4.56315 2.37858 -107.67225 847.14058
3660.0000 -113.49870 -108.16057 5.33812 2.37100 -107.77094 796.04925
3665.0000 -112.23875 -106.01769 6.22106 2.42759 -107.03393 866.76989
3670.0000 -111.93016 -107.08235 4.84781 2.50189 -106.06635 931.68803
3675.0000 -112.53126 -107.72060 4.81066 2.37527 -107.71541 804.30263
3680.0000 -111.80024 -107.57056 4.22969 2.37683 -107.69505 798.86797
3685.0000 -112.18257 -107.42139 4.76118 2.39595 -107.44608 829.62170
3690.0000 -113.02387 -108.28301 4.74087 2.34360 -108.12781 783.11130
3695.0000 -113.40936 -108.46530 4.94407 2.28718 -108.86269 736.06699
3700.0000 -113.81345 -108.63480 5.17865 2.31009 -108.56426 777.72179
3705.0000 -111.82260 -107.22469 4.59791 2.33062 -108.29688 763.10920
3710.0000 -112.63990 -107.84741 4.79249 2.39339 -107.47938 837.25091
3715.0000 -112.89772 -106.91877 5.97894 2.40692 -107.30314 823.84927
3720.0000 -112.48259 -106.12006 6.36253 2.46517 -106.54458 868.84475
3725.0000 -111.87110 -106.84190 5.02920 2.43668 -106.91559 869.78006
3730.0000 -113.17407 -107.35207 5.82200 2.38884 -107.53860 800.24229
3735.0000 -112.35641 -107.60528 4.75114 2.40532 -107.32401 850.69995
3740.0000 -111.54248 -107.50698 4.03550 2.37775 -107.68310 790.41859
3745.0000 -111.12633 -106.25184 4.87449 2.44332 -106.82917 859.23878
3750.0000 -112.31135 -107.20424 5.10711 2.46051 -106.60527 850.69916
FREEZING PROCESS: loop number 16 T-loop= 790.00000000000000
main_MD> interactions number 16 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.14081 1.15037 5.00928
force_rgl> df(natom) -3.15029 -4.43650 2.93648
3755.0000 -111.30655 -106.70157 4.60498 2.43298 -106.96372 854.26340
3760.0000 -111.92652 -106.36921 5.55731 2.44241 -106.84102 863.01501
3765.0000 -112.70885 -107.62180 5.08705 2.39744 -107.42666 845.04498
3770.0000 -113.19818 -109.34194 3.85624 2.29893 -108.70965 772.66336
3775.0000 -112.82352 -108.27937 4.54415 2.31172 -108.54309 778.55171
3780.0000 -113.83898 -109.24846 4.59053 2.32464 -108.37482 762.12923
3785.0000 -113.83287 -109.44610 4.38677 2.29399 -108.77397 759.29906
3790.0000 -113.29692 -108.16870 5.12822 2.25613 -109.26703 743.84431
3795.0000 -112.66547 -108.62942 4.03605 2.30742 -108.59906 751.32067
3800.0000 -112.54454 -108.47366 4.07088 2.30986 -108.56729 731.14146
3805.0000 -113.82816 -108.71368 5.11448 2.34288 -108.13717 780.95305
3810.0000 -113.76990 -109.04062 4.72928 2.26572 -109.14209 737.60173
3815.0000 -114.21320 -109.67506 4.53814 2.26156 -109.19628 694.04057
3820.0000 -113.52013 -109.52372 3.99641 2.24910 -109.35855 692.64573
3825.0000 -113.12954 -107.31471 5.81484 2.29458 -108.76622 738.43204
3830.0000 -112.44325 -108.18413 4.25912 2.38686 -107.56444 773.93190
3835.0000 -112.40566 -107.57771 4.82795 2.35794 -107.94106 767.37632
3840.0000 -113.12960 -108.81811 4.31149 2.33214 -108.27709 800.99317
3845.0000 -113.28326 -107.84264 5.44062 2.34617 -108.09439 777.06416
3850.0000 -113.54166 -109.52532 4.01635 2.32152 -108.41537 788.93088
3855.0000 -112.63972 -107.73516 4.90456 2.30518 -108.62823 765.92918
3860.0000 -113.96069 -108.20447 5.75622 2.36686 -107.82484 838.13477
3865.0000 -112.20292 -107.06237 5.14055 2.36162 -107.89312 805.67830
3870.0000 -112.36386 -107.73000 4.63387 2.38369 -107.60572 786.43340
3875.0000 -112.67427 -107.39064 5.28363 2.38793 -107.55050 794.68978
3880.0000 -111.70664 -106.77013 4.93652 2.38818 -107.54720 851.38694
3885.0000 -112.38955 -107.34719 5.04235 2.44561 -106.79923 874.09071
3890.0000 -111.94510 -106.16892 5.77618 2.42849 -107.02219 855.52284
3895.0000 -112.26694 -107.68219 4.58475 2.43237 -106.97173 870.52692
3900.0000 -112.75070 -108.18952 4.56118 2.35644 -107.96064 785.97736
3905.0000 -113.49630 -109.25795 4.23835 2.30820 -108.58890 752.33892
3910.0000 -113.17661 -108.32124 4.85536 2.34070 -108.16554 809.20548
3915.0000 -112.91208 -108.42646 4.48562 2.28427 -108.90048 736.74758
3920.0000 -111.61631 -107.50671 4.10959 2.32158 -108.41455 760.64070
3925.0000 -112.66721 -107.15756 5.50965 2.44502 -106.80701 846.48927
3930.0000 -112.38604 -107.07960 5.30644 2.43974 -106.87568 872.41613
3935.0000 -112.12157 -108.04159 4.07998 2.36899 -107.79712 801.95569
3940.0000 -114.07978 -109.64210 4.43768 2.27484 -109.02335 719.31994
3945.0000 -113.32241 -107.97665 5.34576 2.27318 -109.04494 709.80433
3950.0000 -112.71296 -108.18063 4.53233 2.29168 -108.80403 759.20405
3955.0000 -112.43619 -107.76500 4.67118 2.37103 -107.77055 807.04373
3960.0000 -113.87183 -108.61330 5.25853 2.36876 -107.80020 829.96022
3965.0000 -113.21755 -109.54378 3.67376 2.26594 -109.13923 731.64935
3970.0000 -113.33079 -108.98236 4.34843 2.28388 -108.90566 756.31375
3975.0000 -111.95754 -107.10237 4.85516 2.33901 -108.18758 779.18523
3980.0000 -112.24880 -107.55151 4.69729 2.37268 -107.74914 797.60249
3985.0000 -112.12935 -106.70878 5.42058 2.41159 -107.24230 815.43457
3990.0000 -112.95640 -107.48718 5.46921 2.40144 -107.37452 819.55167
3995.0000 -112.58207 -108.45938 4.12269 2.32097 -108.42252 727.84349
4000.0000 -112.24603 -107.71077 4.53527 2.34620 -108.09398 773.53607
FREEZING PROCESS: loop number 17 T-loop= 765.00000000000000
main_MD> interactions number 17 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01008 0.33316 -2.63991
force_rgl> df(natom) 2.81221 1.49562 0.21603
4005.0000 -112.00755 -108.15319 3.85436 2.33497 -108.24016 768.16195
4010.0000 -113.89220 -109.17676 4.71543 2.28571 -108.88172 741.63554
4015.0000 -113.29149 -107.74755 5.54395 2.32295 -108.39675 787.77881
4020.0000 -112.35087 -108.41888 3.93199 2.36177 -107.89117 809.26580
4025.0000 -113.59801 -109.61291 3.98510 2.28116 -108.94099 754.13673
4030.0000 -113.60442 -108.86919 4.73524 2.25288 -109.30932 731.32057
4035.0000 -112.98018 -108.12977 4.85041 2.31160 -108.54460 751.51307
4040.0000 -113.23119 -108.41374 4.81745 2.35038 -108.03956 826.55962
4045.0000 -112.43670 -108.63214 3.80457 2.29962 -108.70057 755.05708
4050.0000 -113.56936 -109.53698 4.03237 2.27892 -108.97019 733.07064
4055.0000 -113.13630 -107.92237 5.21393 2.30414 -108.64169 745.95987
4060.0000 -113.08845 -107.45748 5.63097 2.36141 -107.89587 808.17367
4065.0000 -112.87186 -107.71591 5.15596 2.36303 -107.87476 806.41614
4070.0000 -112.33542 -107.23523 5.10019 2.36449 -107.85579 779.54781
4075.0000 -112.45452 -107.10200 5.35251 2.44495 -106.80786 839.58615
4080.0000 -112.83730 -107.98194 4.85536 2.39833 -107.41510 850.40308
4085.0000 -113.21267 -108.98358 4.22909 2.31645 -108.48136 786.93283
4090.0000 -113.77400 -108.57703 5.19697 2.28725 -108.86174 741.80734
4095.0000 -113.77125 -109.72040 4.05085 2.22936 -109.61559 666.78877
4100.0000 -113.95111 -109.61568 4.33543 2.18194 -110.23319 650.07121
4105.0000 -112.53926 -108.42522 4.11404 2.26040 -109.21134 725.96433
4110.0000 -113.18815 -108.11824 5.06991 2.35109 -108.03028 797.96716
4115.0000 -113.34825 -108.93152 4.41673 2.29370 -108.77777 753.75109
4120.0000 -113.68300 -108.99610 4.68690 2.28496 -108.89157 755.16333
4125.0000 -112.56217 -107.43557 5.12660 2.29230 -108.79599 764.50971
4130.0000 -113.02886 -108.29903 4.72983 2.42176 -107.10992 834.79426
4135.0000 -111.86095 -106.48609 5.37485 2.44633 -106.78987 878.08991
4140.0000 -113.09483 -108.98558 4.10925 2.39835 -107.41484 823.21464
4145.0000 -114.27580 -110.42384 3.85196 2.20127 -109.98150 690.02578
4150.0000 -114.29484 -109.79597 4.49887 2.23942 -109.48465 701.35816
4155.0000 -113.38403 -109.16353 4.22050 2.28665 -108.86957 714.18189
4160.0000 -112.22543 -107.22338 5.00204 2.32844 -108.32522 738.32775
4165.0000 -113.35304 -108.16152 5.19152 2.35658 -107.95880 822.45567
4170.0000 -111.76201 -107.61537 4.14663 2.37163 -107.76272 802.15355
4175.0000 -111.78438 -107.13416 4.65022 2.39130 -107.50665 801.14792
4180.0000 -111.82420 -106.66234 5.16186 2.42520 -107.06513 791.43464
4185.0000 -113.98401 -109.67010 4.31391 2.35351 -107.99877 792.06366
4190.0000 -113.19138 -108.62735 4.56403 2.28599 -108.87815 735.01851
4195.0000 -112.37537 -107.73751 4.63786 2.36887 -107.79870 828.29927
4200.0000 -111.81505 -107.39819 4.41686 2.40877 -107.27904 834.95810
4205.0000 -113.46899 -108.94489 4.52410 2.31827 -108.45769 724.42105
4210.0000 -113.55857 -108.73414 4.82442 2.28808 -108.85094 737.28089
4215.0000 -112.77676 -108.73538 4.04137 2.31280 -108.52898 708.32246
4220.0000 -114.15497 -109.26506 4.88991 2.25983 -109.21885 672.94589
4225.0000 -113.16120 -109.03891 4.12230 2.27948 -108.96287 738.66126
4230.0000 -112.68490 -108.15622 4.52868 2.30198 -108.66993 721.13025
4235.0000 -112.35799 -108.10802 4.24997 2.37002 -107.78370 790.52213
4240.0000 -112.61416 -106.44248 6.17167 2.40333 -107.34998 818.54518
4245.0000 -111.97488 -105.96522 6.00967 2.47072 -106.47229 845.93666
4250.0000 -112.01135 -107.13414 4.87721 2.45612 -106.66236 884.40179
FREEZING PROCESS: loop number 18 T-loop= 740.00000000000000
main_MD> interactions number 18 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44263 0.93590 0.13827
force_rgl> df(natom) 1.49018 4.08488 -2.35133
4255.0000 -114.00181 -108.56805 5.43376 2.32554 -108.36300 768.97304
4260.0000 -113.68143 -108.28173 5.39970 2.29466 -108.76521 755.64900
4265.0000 -113.20334 -109.19394 4.00940 2.25808 -109.24164 708.11498
4270.0000 -114.41744 -109.96690 4.45053 2.24579 -109.40163 705.94312
4275.0000 -114.28406 -111.13074 3.15332 2.21281 -109.83118 651.28880
4280.0000 -114.34634 -110.13033 4.21601 2.18962 -110.13317 668.72393
4285.0000 -112.85841 -109.40523 3.45318 2.26169 -109.19454 698.21335
4290.0000 -112.99736 -108.01986 4.97750 2.31418 -108.51102 754.27128
4295.0000 -113.49738 -109.49835 3.99903 2.29793 -108.72262 735.29907
4300.0000 -114.40236 -109.94777 4.45460 2.21923 -109.74762 648.63969
4305.0000 -113.83822 -109.90042 3.93780 2.20590 -109.92122 668.00950
4310.0000 -113.97520 -110.13421 3.84100 2.18546 -110.18743 678.53222
4315.0000 -113.63216 -108.85553 4.77663 2.26580 -109.14104 717.57276
4320.0000 -113.72992 -108.87264 4.85728 2.29782 -108.72404 749.73710
4325.0000 -112.99662 -108.37319 4.62343 2.31719 -108.47184 774.26897
4330.0000 -112.68894 -107.11628 5.57266 2.41479 -107.20069 828.47687
4335.0000 -112.56328 -108.27471 4.28857 2.39715 -107.43044 809.62460
4340.0000 -112.11806 -107.27256 4.84550 2.38751 -107.55592 785.31382
4345.0000 -112.12741 -108.10971 4.01770 2.36114 -107.89939 772.77233
4350.0000 -112.78970 -107.80950 4.98021 2.34747 -108.07737 803.01680
4355.0000 -113.72376 -109.11472 4.60905 2.29109 -108.81171 751.01735
4360.0000 -113.79149 -109.36585 4.42564 2.23975 -109.48030 705.89221
4365.0000 -113.30078 -110.29987 3.00091 2.24813 -109.37126 708.40606
4370.0000 -113.38759 -109.71396 3.67363 2.18243 -110.22691 660.42111
4375.0000 -114.04844 -109.30896 4.73948 2.18790 -110.15562 646.02667
4380.0000 -113.89946 -108.44209 5.45738 2.28168 -108.93420 762.58120
4385.0000 -113.26921 -109.05845 4.21075 2.28722 -108.86211 746.10141
4390.0000 -113.53324 -109.15018 4.38306 2.27557 -109.01389 737.52945
4395.0000 -113.05305 -109.23920 3.81385 2.27108 -109.07233 715.16577
4400.0000 -113.59288 -109.13334 4.45955 2.25867 -109.23397 709.69570
4405.0000 -114.42408 -110.33224 4.09184 2.20718 -109.90450 663.29393
4410.0000 -113.60361 -109.72765 3.87596 2.22016 -109.73542 675.67580
4415.0000 -112.57504 -108.72127 3.85377 2.29793 -108.72258 719.82375
4420.0000 -113.75008 -109.88696 3.86312 2.26654 -109.13146 735.13517
4425.0000 -114.21725 -109.73843 4.47882 2.19902 -110.01081 672.55229
4430.0000 -114.22614 -109.02237 5.20377 2.24243 -109.44546 674.08648
4435.0000 -111.80044 -107.29123 4.50921 2.37930 -107.66283 789.60202
4440.0000 -112.80652 -109.12918 3.67734 2.29792 -108.72270 699.39687
4445.0000 -113.15869 -109.09944 4.05926 2.33327 -108.26230 733.12810
4450.0000 -114.08324 -109.15519 4.92805 2.26507 -109.15063 716.85708
4455.0000 -112.68245 -108.55139 4.13106 2.29540 -108.75555 751.92163
4460.0000 -113.82158 -108.97795 4.84362 2.25304 -109.30729 725.76789
4465.0000 -113.22947 -109.06430 4.16517 2.27675 -108.99851 728.38457
4470.0000 -112.46946 -107.36254 5.10692 2.34921 -108.05478 775.40385
4475.0000 -112.90651 -108.46373 4.44279 2.39232 -107.49329 858.11244
4480.0000 -114.21916 -109.04003 5.17913 2.28228 -108.92648 736.93503
4485.0000 -113.39494 -108.40972 4.98522 2.29624 -108.74462 781.57362
4490.0000 -112.78602 -108.88149 3.90453 2.25766 -109.24712 703.54475
4495.0000 -114.12114 -109.42545 4.69569 2.25483 -109.28391 720.90176
4500.0000 -113.58783 -109.05905 4.52878 2.29007 -108.82498 748.32663
FREEZING PROCESS: loop number 19 T-loop= 715.00000000000000
main_MD> interactions number 19 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.80906 -0.82589 2.73718
force_rgl> df(natom) 0.57046 1.39246 1.67639
4505.0000 -113.11916 -108.97203 4.14713 2.29796 -108.72228 760.18282
4510.0000 -114.03100 -110.12843 3.90257 2.21572 -109.79331 698.62091
4515.0000 -114.30551 -110.21629 4.08922 2.17775 -110.28777 678.57110
4520.0000 -113.33195 -108.20685 5.12510 2.23455 -109.54800 706.80165
4525.0000 -113.11231 -108.83600 4.27631 2.34844 -108.06483 795.03066
4530.0000 -113.60982 -108.74352 4.86630 2.29426 -108.77047 752.69379
4535.0000 -112.88371 -108.34855 4.53516 2.29965 -108.70023 753.85799
4540.0000 -113.26528 -108.91554 4.34974 2.28630 -108.87403 751.32800
4545.0000 -114.21559 -109.56425 4.65134 2.28809 -108.85075 734.21931
4550.0000 -113.60798 -109.60920 3.99877 2.28347 -108.91093 759.84472
4555.0000 -113.12678 -109.14911 3.97767 2.26803 -109.11197 753.30328
4560.0000 -113.76551 -109.13265 4.63286 2.23982 -109.47944 708.87579
4565.0000 -113.93955 -108.94812 4.99142 2.30096 -108.68310 718.84237
4570.0000 -114.40295 -109.86723 4.53572 2.28194 -108.93084 773.11290
4575.0000 -113.42887 -108.75812 4.67075 2.26543 -109.14587 715.31343
4580.0000 -114.33607 -109.99477 4.34130 2.24139 -109.45898 712.51689
4585.0000 -114.75655 -110.49764 4.25891 2.19318 -110.08690 667.78954
4590.0000 -112.77236 -108.92778 3.84458 2.19578 -110.05303 680.36526
4595.0000 -112.22211 -108.35718 3.86494 2.26916 -109.09737 727.23187
4600.0000 -113.50967 -109.92544 3.58423 2.21882 -109.75296 627.03067
4605.0000 -113.32299 -109.14492 4.17807 2.22947 -109.61421 689.48210
4610.0000 -113.97204 -109.71762 4.25442 2.26273 -109.18105 724.29192
4615.0000 -113.70065 -108.59730 5.10335 2.24278 -109.44089 708.31118
4620.0000 -112.76264 -108.64601 4.11663 2.31055 -108.55832 758.81692
4625.0000 -113.48661 -108.87526 4.61134 2.29035 -108.82138 713.74713
4630.0000 -114.22592 -109.53146 4.69445 2.24391 -109.42618 744.14574
4635.0000 -112.90618 -109.16357 3.74261 2.20050 -109.99152 676.53694
4640.0000 -113.30689 -108.68421 4.62268 2.25910 -109.22836 737.35570
4645.0000 -114.11952 -109.49550 4.62402 2.26815 -109.11045 733.84955
4650.0000 -113.31305 -109.73565 3.57739 2.22343 -109.69285 690.29297
4655.0000 -113.85907 -110.11632 3.74275 2.20032 -109.99380 689.43815
4660.0000 -113.99048 -109.36625 4.62422 2.22116 -109.72242 698.15177
4665.0000 -113.45112 -108.90687 4.54425 2.20587 -109.92156 672.37253
4670.0000 -114.81944 -109.34535 5.47409 2.29585 -108.74977 787.11117
4675.0000 -113.57884 -109.38831 4.19053 2.28610 -108.87664 741.47146
4680.0000 -113.24939 -108.60488 4.64451 2.29530 -108.75686 721.02416
4685.0000 -114.15885 -109.07807 5.08078 2.28048 -108.94994 729.25254
4690.0000 -113.20815 -108.76237 4.44578 2.26787 -109.11409 747.43146
4695.0000 -113.72341 -109.03623 4.68718 2.25798 -109.24290 729.59686
4700.0000 -112.63124 -109.25955 3.37168 2.27580 -109.01088 738.99814
4705.0000 -112.82330 -108.79731 4.02598 2.29011 -108.82448 731.53151
4710.0000 -114.04011 -109.96853 4.07158 2.30752 -108.59768 768.19201
4715.0000 -112.74696 -108.23881 4.50815 2.21126 -109.85144 682.75113
4720.0000 -113.53838 -108.52386 5.01451 2.31358 -108.51885 757.39770
4725.0000 -113.54587 -109.51525 4.03062 2.26478 -109.15438 721.38215
4730.0000 -113.26842 -109.10325 4.16518 2.25219 -109.31835 723.58100
4735.0000 -114.00625 -109.71974 4.28651 2.26259 -109.18281 718.42330
4740.0000 -113.85215 -110.30498 3.54716 2.20153 -109.97812 691.48309
4745.0000 -113.36492 -109.21748 4.14744 2.20366 -109.95042 691.44944
4750.0000 -112.99253 -108.40645 4.58608 2.31972 -108.43885 780.46281
FREEZING PROCESS: loop number 20 T-loop= 690.00000000000000
main_MD> interactions number 20 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.78273 -2.05318 -4.37045
force_rgl> df(natom) -3.14120 0.59696 -0.76038
4755.0000 -113.86874 -109.82977 4.03897 2.27669 -108.99918 762.01629
4760.0000 -114.93187 -110.37421 4.55766 2.19403 -110.07580 651.35957
4765.0000 -113.91983 -109.81545 4.10438 2.21266 -109.83308 681.52206
4770.0000 -114.07746 -109.71377 4.36369 2.20841 -109.88846 704.73355
4775.0000 -114.58867 -110.84396 3.74471 2.20201 -109.97182 686.55977
4780.0000 -114.72228 -110.38875 4.33353 2.16948 -110.39549 633.61126
4785.0000 -115.25056 -111.16242 4.08814 2.17537 -110.31875 664.23430
4790.0000 -114.19974 -110.81392 3.38583 2.10252 -111.26756 616.99272
4795.0000 -113.70970 -109.83196 3.87773 2.15740 -110.55289 658.07486
4800.0000 -112.96405 -108.69707 4.26699 2.24751 -109.37932 671.22412
4805.0000 -112.88208 -108.37029 4.51178 2.33399 -108.25299 780.16230
4810.0000 -113.54652 -108.70293 4.84359 2.30219 -108.66718 760.01823
4815.0000 -114.27715 -109.00531 5.27184 2.33348 -108.25962 774.71957
4820.0000 -113.06306 -109.35711 3.70595 2.28977 -108.82884 782.55745
4825.0000 -114.24421 -110.49426 3.74995 2.19699 -110.03720 690.61174
4830.0000 -114.82514 -111.03729 3.78785 2.16920 -110.39921 637.65955
4835.0000 -114.54356 -110.49787 4.04569 2.13783 -110.80772 615.47573
4840.0000 -114.21420 -110.32466 3.88954 2.15304 -110.60963 636.14042
4845.0000 -114.82440 -111.53798 3.28641 2.14362 -110.73234 643.83894
4850.0000 -114.15847 -109.80515 4.35332 2.17321 -110.34698 666.93807
4855.0000 -113.24405 -109.19967 4.04438 2.27719 -108.99272 728.03983
4860.0000 -113.42952 -108.52399 4.90552 2.23849 -109.49677 697.80775
4865.0000 -115.41482 -111.11943 4.29539 2.18759 -110.15966 669.93088
4870.0000 -114.16028 -111.14758 3.01270 2.08205 -111.53417 574.83122
4875.0000 -114.90816 -110.33578 4.57239 2.14397 -110.72776 650.65413
4880.0000 -114.81278 -110.69876 4.11402 2.18266 -110.22379 654.50427
4885.0000 -114.51272 -109.85272 4.66000 2.19228 -110.09856 666.10599
4890.0000 -114.15422 -110.42075 3.73346 2.21019 -109.86537 677.01131
4895.0000 -113.95792 -109.75686 4.20106 2.17570 -110.31453 639.94750
4900.0000 -114.18338 -110.02277 4.16061 2.20159 -109.97733 670.11427
4905.0000 -113.43956 -107.92827 5.51130 2.32623 -108.35400 766.07342
4910.0000 -112.53320 -108.69293 3.84028 2.37268 -107.74910 796.73717
4915.0000 -114.34609 -109.65449 4.69160 2.25265 -109.31229 703.67356
4920.0000 -113.23040 -109.55735 3.67305 2.24683 -109.38810 687.31154
4925.0000 -113.50950 -108.88284 4.62666 2.27002 -109.08607 709.55711
4930.0000 -114.07866 -109.35853 4.72013 2.26746 -109.11947 716.75839
4935.0000 -114.30447 -109.67107 4.63340 2.20649 -109.91349 653.83034
4940.0000 -114.16429 -110.02730 4.13698 2.18594 -110.18110 652.30388
4945.0000 -113.76309 -109.57923 4.18387 2.18308 -110.21839 644.94524
4950.0000 -113.39993 -109.61286 3.78707 2.23766 -109.50749 710.63129
4955.0000 -113.17858 -109.21968 3.95890 2.23150 -109.58772 714.44503
4960.0000 -113.51573 -108.79634 4.71940 2.30700 -108.60446 757.65520
4965.0000 -113.72763 -109.31034 4.41729 2.28180 -108.93271 748.77186
4970.0000 -113.34189 -108.66684 4.67505 2.26275 -109.18073 736.67262
4975.0000 -113.14390 -109.41711 3.72679 2.24394 -109.42573 749.96858
4980.0000 -113.63541 -110.22992 3.40549 2.18689 -110.16881 657.84745
4985.0000 -114.32373 -110.59341 3.73032 2.16134 -110.50147 647.50516
4990.0000 -114.63872 -110.84895 3.78976 2.15045 -110.64329 649.56615
4995.0000 -113.84484 -109.92821 3.91664 2.15258 -110.61561 627.81035
5000.0000 -113.95997 -110.06446 3.89551 2.22662 -109.65130 700.43659
FREEZING PROCESS: loop number 21 T-loop= 665.00000000000000
main_MD> interactions number 21 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.91985 -0.02195 -1.78449
force_rgl> df(natom) -0.40325 0.03052 1.70735
5005.0000 -114.26038 -108.69260 5.56778 2.23290 -109.56952 710.62055
5010.0000 -113.86157 -109.68015 4.18142 2.23720 -109.51359 704.14993
5015.0000 -114.22192 -110.68456 3.53736 2.16126 -110.50260 646.26171
5020.0000 -113.46049 -109.27031 4.19018 2.20105 -109.98434 671.86629
5025.0000 -114.32484 -109.79938 4.52545 2.21661 -109.78164 662.97195
5030.0000 -113.82832 -110.59202 3.23630 2.19939 -110.00599 661.89875
5035.0000 -114.07779 -110.32307 3.75472 2.15859 -110.53739 608.70998
5040.0000 -114.52530 -110.02022 4.50508 2.17662 -110.30246 633.85545
5045.0000 -113.19225 -109.54972 3.64252 2.20238 -109.96702 666.98159
5050.0000 -113.98986 -110.55595 3.43391 2.21430 -109.81174 687.70847
5055.0000 -114.47857 -110.59224 3.88633 2.14406 -110.72653 639.70875
5060.0000 -115.74241 -110.97758 4.76483 2.14491 -110.71547 656.16492
5065.0000 -114.14909 -110.53831 3.61078 2.15335 -110.60562 631.40990
5070.0000 -113.95829 -108.50286 5.45542 2.21645 -109.78375 690.75278
5075.0000 -113.56251 -109.62007 3.94244 2.26418 -109.16214 717.56313
5080.0000 -113.58909 -109.75430 3.83479 2.20975 -109.87107 675.25420
5085.0000 -114.09708 -110.02380 4.07328 2.22666 -109.65082 705.51550
5090.0000 -113.15801 -109.53269 3.62532 2.23164 -109.58593 695.71868
5095.0000 -114.26982 -109.81143 4.45838 2.22525 -109.66920 678.12144
5100.0000 -114.96173 -110.81774 4.14400 2.19412 -110.07461 683.46313
5105.0000 -114.78451 -110.67610 4.10841 2.16727 -110.42425 663.77699
5110.0000 -113.78308 -109.57227 4.21080 2.17998 -110.25880 661.09532
5115.0000 -113.83890 -109.85031 3.98860 2.20260 -109.96416 647.56260
5120.0000 -113.81023 -109.31238 4.49785 2.21541 -109.79732 672.20551
5125.0000 -114.69988 -110.88194 3.81794 2.17793 -110.28545 670.64457
5130.0000 -115.21489 -111.32395 3.89095 2.07683 -111.60208 584.90745
5135.0000 -114.51068 -110.47120 4.03948 2.13861 -110.79758 649.23618
5140.0000 -114.53459 -110.27018 4.26441 2.13818 -110.80311 621.64606
5145.0000 -114.19190 -110.24454 3.94736 2.18337 -110.21457 638.17558
5150.0000 -115.31403 -111.39923 3.91480 2.09388 -111.38008 592.00522
5155.0000 -115.31636 -112.07481 3.24155 2.06133 -111.80405 576.38083
5160.0000 -115.04299 -110.90104 4.14194 2.07422 -111.63619 581.77226
5165.0000 -114.83045 -111.15311 3.67734 2.10716 -111.20711 617.23552
5170.0000 -114.78797 -110.54947 4.23850 2.11935 -111.04838 624.08421
5175.0000 -113.75921 -109.65544 4.10376 2.20488 -109.93443 685.80438
5180.0000 -113.48394 -109.77693 3.70701 2.23942 -109.48461 696.82040
5185.0000 -114.53952 -111.12564 3.41388 2.19095 -110.11595 647.45552
5190.0000 -115.22611 -110.85415 4.37196 2.11881 -111.05543 622.00776
5195.0000 -114.72096 -111.23052 3.49044 2.12407 -110.98691 591.13760
5200.0000 -114.02217 -109.84645 4.17572 2.13491 -110.84580 614.73533
5205.0000 -113.17646 -108.97155 4.20491 2.25687 -109.25739 699.76526
5210.0000 -113.79804 -108.38752 5.41052 2.21304 -109.82824 706.01491
5215.0000 -113.41992 -109.46430 3.95562 2.25643 -109.26315 700.91035
5220.0000 -112.99329 -109.34067 3.65262 2.24910 -109.35853 706.32244
5225.0000 -114.61995 -109.79338 4.82657 2.23323 -109.56523 689.24011
5230.0000 -113.95545 -110.33204 3.62340 2.22695 -109.64709 696.47790
5235.0000 -113.29883 -108.86685 4.43198 2.22680 -109.64898 663.02533
5240.0000 -114.11284 -110.10746 4.00537 2.23333 -109.56394 689.54214
5245.0000 -114.18865 -110.61932 3.56934 2.16472 -110.45753 632.37676
5250.0000 -113.89514 -109.71661 4.17853 2.18009 -110.25738 669.92540
FREEZING PROCESS: loop number 22 T-loop= 640.00000000000000
main_MD> interactions number 22 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.35393 0.17884 0.04290
force_rgl> df(natom) 2.91093 0.26999 2.15570
5255.0000 -114.02332 -110.29936 3.72396 2.19759 -110.02943 647.52055
5260.0000 -113.70610 -109.96178 3.74433 2.17025 -110.38554 637.73801
5265.0000 -115.12402 -111.39323 3.73079 2.14234 -110.74893 632.84311
5270.0000 -114.46203 -110.32813 4.13390 2.16033 -110.51473 624.43958
5275.0000 -114.66832 -110.82766 3.84066 2.14939 -110.65710 614.86191
5280.0000 -114.40096 -110.60212 3.79884 2.16598 -110.44112 643.91879
5285.0000 -114.58940 -110.43385 4.15556 2.15633 -110.56672 626.74923
5290.0000 -114.95084 -111.07917 3.87167 2.14302 -110.74008 632.43441
5295.0000 -114.61112 -111.16650 3.44462 2.08904 -111.44313 616.91071
5300.0000 -113.77725 -110.01637 3.76088 2.14923 -110.65917 636.48720
5305.0000 -114.63836 -110.88521 3.75315 2.15065 -110.64078 644.22069
5310.0000 -114.15111 -111.10002 3.05109 2.10324 -111.25817 630.60511
5315.0000 -115.39524 -111.89921 3.49603 2.09571 -111.35622 623.88059
5320.0000 -115.31592 -111.77352 3.54239 2.07002 -111.69081 580.36711
5325.0000 -115.66317 -111.69367 3.96950 2.03601 -112.13376 562.62074
5330.0000 -114.91696 -111.81255 3.10441 2.06262 -111.78720 595.96792
5335.0000 -114.54508 -110.49323 4.05184 2.10645 -111.21640 604.41434
5340.0000 -114.85637 -111.23498 3.62138 2.16292 -110.48089 645.90439
5345.0000 -113.54997 -109.31520 4.23478 2.17958 -110.26393 665.08472
5350.0000 -113.72519 -108.99801 4.72718 2.25815 -109.24073 732.47426
5355.0000 -114.03853 -110.19529 3.84325 2.20746 -109.90088 698.50254
5360.0000 -114.51004 -109.81150 4.69854 2.20859 -109.88613 694.54324
5365.0000 -115.02330 -110.44948 4.57382 2.17033 -110.38440 653.83360
5370.0000 -113.47977 -109.58178 3.89799 2.16009 -110.51777 644.52997
5375.0000 -116.17698 -112.03424 4.14274 2.12992 -110.91067 609.48248
5380.0000 -114.73487 -110.60576 4.12912 2.11149 -111.15074 638.36345
5385.0000 -115.34132 -111.19599 4.14533 2.14474 -110.71765 664.56256
5390.0000 -114.82163 -111.64599 3.17564 2.11335 -111.12657 659.28972
5395.0000 -114.54051 -110.57545 3.96506 2.12864 -110.92736 621.33668
5400.0000 -115.14046 -111.91371 3.22676 2.12131 -111.02279 594.78301
5405.0000 -115.25617 -111.54999 3.70618 2.08927 -111.44017 587.00398
5410.0000 -115.28404 -111.36454 3.91950 2.05986 -111.82310 572.68582
5415.0000 -114.80314 -110.60012 4.20302 2.11240 -111.13891 619.98096
5420.0000 -114.64068 -110.59480 4.04588 2.16939 -110.39670 659.57181
5425.0000 -115.02333 -111.05875 3.96458 2.09948 -111.30713 592.97948
5430.0000 -114.17117 -109.72176 4.44941 2.15650 -110.56460 622.36024
5435.0000 -114.45374 -110.26164 4.19210 2.22226 -109.70810 678.99279
5440.0000 -114.76936 -111.19219 3.57717 2.14226 -110.75001 636.32016
5445.0000 -114.82060 -111.49553 3.32507 2.13772 -110.80911 611.01176
5450.0000 -114.14107 -110.68036 3.46072 2.11335 -111.12657 605.82552
5455.0000 -115.05741 -109.98596 5.07145 2.20969 -109.87186 700.03398
5460.0000 -114.06141 -110.83829 3.22312 2.12169 -111.01790 625.59203
5465.0000 -115.01395 -110.80626 4.20769 2.12380 -110.99046 618.38551
5470.0000 -114.30494 -109.96741 4.33753 2.16765 -110.41935 632.14246
5475.0000 -114.46084 -110.64025 3.82058 2.20719 -109.90432 691.51080
5480.0000 -115.15819 -111.61380 3.54439 2.13538 -110.83965 617.95698
5485.0000 -115.15987 -111.49650 3.66338 2.08306 -111.52096 592.15778
5490.0000 -114.42051 -111.21081 3.20970 2.11275 -111.13438 611.67647
5495.0000 -113.62124 -110.50940 3.11184 2.15530 -110.58022 595.91597
5500.0000 -114.39662 -110.35331 4.04330 2.17607 -110.30966 640.26582
FREEZING PROCESS: loop number 23 T-loop= 615.00000000000000
main_MD> interactions number 23 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63739 -1.34632 -0.13495
force_rgl> df(natom) -2.77350 2.76050 3.28992
5505.0000 -115.10349 -111.68954 3.41395 2.11253 -111.13724 602.76520
5510.0000 -114.89671 -111.47038 3.42634 2.08247 -111.52870 577.66374
5515.0000 -114.97207 -111.76053 3.21154 2.08915 -111.44175 604.58712
5520.0000 -115.78620 -112.89299 2.89321 2.04280 -112.04539 555.55448
5525.0000 -115.28090 -111.53473 3.74618 2.01661 -112.38646 512.78706
5530.0000 -114.81697 -110.91286 3.90411 2.09551 -111.35883 620.30003
5535.0000 -114.99892 -110.92005 4.07887 2.11234 -111.13962 576.82859
5540.0000 -115.26333 -111.55828 3.70505 2.12317 -110.99861 604.48577
5545.0000 -114.24232 -110.47905 3.76326 2.12719 -110.94633 620.30144
5550.0000 -114.22052 -111.47778 2.74273 2.10417 -111.24604 591.47615
5555.0000 -115.47487 -111.42782 4.04704 2.11946 -111.04698 634.31628
5560.0000 -115.70679 -111.69701 4.00977 2.10122 -111.28445 593.95049
5565.0000 -115.84942 -112.72037 3.12906 2.04749 -111.98427 573.93519
5570.0000 -115.58170 -111.65056 3.93114 2.03847 -112.10169 566.39511
5575.0000 -114.59553 -110.49525 4.10027 2.12902 -110.92240 642.17053
5580.0000 -113.78886 -110.52167 3.26719 2.15403 -110.59674 657.08478
5585.0000 -114.26096 -110.79779 3.46317 2.17335 -110.34512 648.09836
5590.0000 -114.75918 -111.13606 3.62312 2.13631 -110.82750 598.13050
5595.0000 -114.80109 -111.28329 3.51780 2.10622 -111.21937 572.96753
5600.0000 -115.31032 -111.85296 3.45736 2.08249 -111.52838 571.83845
5605.0000 -114.54024 -110.72744 3.81280 2.11730 -111.07506 598.75453
5610.0000 -114.36995 -110.82312 3.54684 2.15253 -110.61619 641.18167
5615.0000 -114.04924 -110.23125 3.81799 2.15513 -110.58244 637.17412
5620.0000 -114.72611 -110.97324 3.75287 2.11502 -111.10475 605.88914
5625.0000 -115.19599 -111.55423 3.64175 2.09515 -111.36349 637.01263
5630.0000 -115.35888 -111.67548 3.68340 2.04802 -111.97729 585.95988
5635.0000 -115.64469 -111.95128 3.69341 2.03908 -112.09378 580.24798
5640.0000 -115.50477 -112.08744 3.41733 2.02834 -112.23360 572.70526
5645.0000 -115.73158 -112.39821 3.33338 2.05982 -111.82367 565.52434
5650.0000 -115.08620 -111.40487 3.68133 2.05167 -111.92976 536.73521
5655.0000 -115.05245 -111.70490 3.34755 2.08998 -111.43088 588.24899
5660.0000 -114.41683 -111.19518 3.22164 2.10852 -111.18945 585.98738
5665.0000 -114.84109 -111.31712 3.52397 2.10885 -111.18506 622.10638
5670.0000 -114.87282 -111.56694 3.30587 2.09777 -111.32944 588.03842
5675.0000 -115.66611 -112.07866 3.58745 2.06147 -111.80215 556.20396
5680.0000 -115.13263 -111.68534 3.44729 2.09949 -111.30709 581.92299
5685.0000 -115.28878 -111.08893 4.19986 2.08751 -111.46309 582.94189
5690.0000 -114.95112 -111.13520 3.81592 2.13027 -110.90617 612.01247
5695.0000 -115.03067 -111.31963 3.71104 2.12826 -110.93237 616.78809
5700.0000 -115.22806 -111.25948 3.96858 2.09998 -111.30068 598.99557
5705.0000 -115.43905 -111.81985 3.61920 2.07452 -111.63226 578.36865
5710.0000 -115.20000 -111.37054 3.82946 2.08458 -111.50121 580.22753
5715.0000 -114.61777 -111.72358 2.89419 2.08837 -111.45185 585.57407
5720.0000 -115.52405 -111.61461 3.90944 2.05488 -111.88797 557.39977
5725.0000 -114.84869 -111.32779 3.52090 2.09125 -111.41439 589.79813
5730.0000 -114.99090 -111.56275 3.42816 2.08171 -111.53862 586.86179
5735.0000 -114.46875 -111.21780 3.25096 2.11505 -111.10433 582.61689
5740.0000 -114.81889 -110.80626 4.01263 2.12897 -110.92310 601.21884
5745.0000 -114.36458 -110.07850 4.28608 2.18799 -110.15447 680.93449
5750.0000 -114.90665 -111.10866 3.79799 2.16879 -110.40451 678.39619
FREEZING PROCESS: loop number 24 T-loop= 590.00000000000000
main_MD> interactions number 24 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.27549 0.19293 1.41403
force_rgl> df(natom) 1.72473 6.55185 -7.48882
5755.0000 -114.88121 -110.84573 4.03548 2.12860 -110.92793 624.34154
5760.0000 -114.50676 -111.09936 3.40740 2.10750 -111.20265 593.75182
5765.0000 -114.17928 -109.44428 4.73500 2.19871 -110.01480 683.32701
5770.0000 -114.18182 -110.08108 4.10075 2.21475 -109.80590 681.34390
5775.0000 -114.45784 -110.31481 4.14304 2.19416 -110.07410 639.90116
5780.0000 -114.58934 -110.73529 3.85406 2.14487 -110.71596 606.88171
5785.0000 -114.46710 -110.74888 3.71822 2.13667 -110.82285 618.71649
5790.0000 -113.77647 -110.63501 3.14146 2.15755 -110.55082 640.18873
5795.0000 -115.36703 -111.46095 3.90608 2.16302 -110.47968 644.36434
5800.0000 -115.69708 -111.28607 4.41102 2.09620 -111.34985 608.94757
5805.0000 -114.32465 -110.85510 3.46955 2.12010 -111.03858 608.44547
5810.0000 -114.27960 -110.38330 3.89630 2.11956 -111.04559 624.33432
5815.0000 -114.78901 -110.52214 4.26687 2.13166 -110.88806 622.38158
5820.0000 -115.57421 -112.17296 3.40125 2.09500 -111.36546 588.27596
5825.0000 -115.44463 -112.18992 3.25471 2.05605 -111.87276 571.81736
5830.0000 -114.79075 -110.65937 4.13138 2.05469 -111.89043 549.58547
5835.0000 -114.67916 -110.34074 4.33842 2.14920 -110.65964 637.95675
5840.0000 -114.86991 -111.13819 3.73173 2.15177 -110.62610 647.91883
5845.0000 -115.24528 -111.97705 3.26823 2.08931 -111.43964 589.45777
5850.0000 -114.97491 -111.50276 3.47215 2.03962 -112.08671 545.72258
5855.0000 -116.32346 -112.96355 3.35991 2.02483 -112.27943 561.09785
5860.0000 -115.89814 -112.61190 3.28624 2.01317 -112.43117 554.81958
5865.0000 -114.64892 -111.27971 3.36922 2.06225 -111.79204 588.41081
5870.0000 -115.59140 -111.69229 3.89911 2.08368 -111.51293 588.93414
5875.0000 -115.08805 -111.61071 3.47734 2.08550 -111.48922 577.89298
5880.0000 -114.62253 -111.02412 3.59841 2.06944 -111.69833 561.82131
5885.0000 -114.06908 -110.25659 3.81249 2.15003 -110.64883 615.04474
5890.0000 -114.89430 -111.50223 3.39207 2.12335 -110.99625 600.36612
5895.0000 -114.57910 -111.12960 3.44950 2.12692 -110.94976 615.62253
5900.0000 -113.94389 -110.22575 3.71814 2.13361 -110.86264 581.43816
5905.0000 -114.47160 -110.52259 3.94901 2.19314 -110.08735 664.81111
5910.0000 -114.69247 -110.85518 3.83729 2.13649 -110.82515 648.90254
5915.0000 -114.60388 -111.32582 3.27806 2.12142 -111.02140 634.13913
5920.0000 -115.32579 -111.65971 3.66608 2.11203 -111.14373 604.76963
5925.0000 -115.30372 -111.13903 4.16469 2.12412 -110.98622 632.32889
5930.0000 -114.84947 -111.02588 3.82359 2.10046 -111.29434 610.34978
5935.0000 -114.70803 -111.02294 3.68509 2.11314 -111.12920 617.25478
5940.0000 -114.82284 -111.34154 3.48131 2.08878 -111.44654 573.34139
5945.0000 -115.20270 -111.18591 4.01679 2.11140 -111.15197 594.56514
5950.0000 -115.40234 -112.01687 3.38547 2.06082 -111.81063 553.56427
5955.0000 -114.75860 -110.37569 4.38291 2.12690 -110.94999 630.43192
5960.0000 -115.86113 -111.53613 4.32500 2.14454 -110.72029 631.36756
5965.0000 -114.30274 -111.22600 3.07674 2.07912 -111.57233 580.55347
5970.0000 -115.40130 -111.97695 3.42435 2.06729 -111.72639 555.71672
5975.0000 -114.55355 -110.93979 3.61376 2.06082 -111.81063 521.64325
5980.0000 -115.30034 -111.95305 3.34730 2.07522 -111.62310 563.82125
5985.0000 -115.22797 -111.67339 3.55458 2.05292 -111.91356 568.18945
5990.0000 -114.52690 -109.59517 4.93172 2.12146 -111.02085 620.64142
5995.0000 -114.64664 -110.73627 3.91038 2.19791 -110.02521 679.72849
6000.0000 -114.83718 -111.38965 3.44753 2.11100 -111.15716 586.37915
FREEZING PROCESS: loop number 25 T-loop= 565.00000000000000
main_MD> interactions number 25 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89470 0.32424 -0.27509
force_rgl> df(natom) 1.74461 -1.80457 1.36185
6005.0000 -115.67440 -112.59013 3.08428 2.05701 -111.86028 574.06320
6010.0000 -115.56414 -112.93749 2.62665 2.02727 -112.24760 555.80557
6015.0000 -114.67929 -111.46818 3.21111 2.02299 -112.30331 520.16914
6020.0000 -115.15936 -111.73240 3.42696 2.08228 -111.53113 592.69461
6025.0000 -115.44193 -112.09510 3.34683 2.05668 -111.86455 540.35338
6030.0000 -115.00134 -111.09565 3.90568 2.06547 -111.75008 559.70308
6035.0000 -114.91924 -110.76981 4.14943 2.12953 -110.91579 612.61010
6040.0000 -115.41675 -111.95428 3.46247 2.09897 -111.31383 585.76301
6045.0000 -115.17195 -111.98908 3.18287 2.06194 -111.79613 555.00231
6050.0000 -115.08239 -111.29658 3.78582 2.06333 -111.77791 586.04718
6055.0000 -115.33522 -112.55305 2.78217 2.04360 -112.03488 538.86503
6060.0000 -115.63646 -112.40310 3.23335 1.98594 -112.78590 502.86644
6065.0000 -114.57501 -111.17341 3.40159 2.05976 -111.82440 561.00036
6070.0000 -115.23301 -111.09924 4.13377 2.11464 -111.10969 597.70832
6075.0000 -114.66010 -110.71660 3.94350 2.13726 -110.81507 610.91868
6080.0000 -114.13167 -110.76869 3.36298 2.14660 -110.69347 604.54134
6085.0000 -115.36210 -112.17958 3.18252 2.07957 -111.56650 588.86599
6090.0000 -115.43345 -112.64350 2.78995 2.05589 -111.87484 572.83169
6095.0000 -116.15006 -112.62680 3.52327 2.00183 -112.57893 533.65571
6100.0000 -115.94946 -112.66372 3.28573 2.00080 -112.59234 515.95022
6105.0000 -115.51582 -112.19537 3.32045 2.02376 -112.29337 531.16966
6110.0000 -114.58346 -112.15557 2.42789 2.03281 -112.17551 543.79230
6115.0000 -115.67393 -112.72089 2.95304 2.01142 -112.45404 539.03341
6120.0000 -115.64186 -111.42270 4.21916 2.05766 -111.85184 548.88434
6125.0000 -115.18590 -111.25275 3.93315 2.06676 -111.73335 577.23734
6130.0000 -115.19266 -111.47346 3.71920 2.13197 -110.88407 637.73366
6135.0000 -114.47700 -110.74407 3.73294 2.09341 -111.38625 578.30820
6140.0000 -114.79758 -111.56746 3.23012 2.09726 -111.33601 574.32827
6145.0000 -115.45770 -112.49925 2.95844 2.04129 -112.06506 546.37273
6150.0000 -115.85923 -112.80166 3.05757 2.02956 -112.21779 534.68034
6155.0000 -115.57560 -112.30506 3.27055 2.01223 -112.44344 538.24091
6160.0000 -115.45721 -111.71261 3.74461 2.03738 -112.11586 558.26771
6165.0000 -114.87558 -111.69971 3.17588 2.05944 -111.82868 564.23499
6170.0000 -116.09841 -112.52886 3.56955 2.02128 -112.32558 553.28604
6175.0000 -114.65369 -111.81695 2.83675 2.03983 -112.08396 561.82740
6180.0000 -115.66226 -112.10910 3.55315 2.03256 -112.17873 574.95007
6185.0000 -116.54082 -112.82511 3.71572 1.99078 -112.72288 536.17415
6190.0000 -115.55062 -112.74318 2.80744 1.99987 -112.60441 542.80842
6195.0000 -115.24429 -111.48806 3.75623 2.04799 -111.97775 571.67958
6200.0000 -114.68665 -111.50904 3.17761 2.09015 -111.42870 622.18553
6205.0000 -114.39627 -110.78213 3.61413 2.09261 -111.39661 586.30807
6210.0000 -114.79540 -112.00011 2.79529 2.02994 -112.21288 530.80986
6215.0000 -114.81810 -111.64791 3.17019 2.02587 -112.26584 533.67637
6220.0000 -114.99576 -111.51634 3.47942 2.07919 -111.57145 574.89301
6225.0000 -114.89931 -111.00470 3.89461 2.10913 -111.18146 571.29211
6230.0000 -116.07108 -112.08960 3.98148 2.13134 -110.89219 635.20122
6235.0000 -115.96055 -112.50887 3.45168 2.04416 -112.02767 561.97837
6240.0000 -115.19896 -111.83079 3.36817 2.08780 -111.45930 595.11658
6245.0000 -114.66404 -111.03326 3.63078 2.09865 -111.31797 591.65616
6250.0000 -115.36026 -111.71511 3.64515 2.06984 -111.69321 540.61436
FREEZING PROCESS: loop number 26 T-loop= 540.00000000000000
main_MD> interactions number 26 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39603 -0.05391 0.04738
force_rgl> df(natom) 0.33743 -0.94814 0.59319
6255.0000 -115.48476 -112.86989 2.61487 2.02873 -112.22854 521.67091
6260.0000 -114.75779 -111.28012 3.47767 2.07432 -111.63485 565.64467
6265.0000 -115.77285 -111.99084 3.78201 2.09238 -111.39961 600.52467
6270.0000 -115.17507 -112.14401 3.03106 2.07395 -111.63966 565.70934
6275.0000 -116.00868 -113.31587 2.69282 1.97540 -112.92308 475.23288
6280.0000 -115.72721 -112.34767 3.37953 1.98572 -112.78876 510.52078
6285.0000 -115.19333 -111.65371 3.53962 2.03026 -112.20859 541.77790
6290.0000 -115.05229 -111.33587 3.71642 2.04990 -111.95284 574.02746
6295.0000 -115.68188 -111.82402 3.85786 2.05167 -111.92976 587.15538
6300.0000 -115.78261 -112.69908 3.08353 2.00475 -112.54089 544.88400
6305.0000 -116.02787 -112.48635 3.54152 1.98859 -112.75140 536.62075
6310.0000 -114.80562 -111.22694 3.57868 2.06761 -111.72222 581.44150
6315.0000 -115.05563 -111.56005 3.49558 2.06078 -111.81113 583.69625
6320.0000 -114.38353 -110.86480 3.51874 2.10301 -111.26118 588.38183
6325.0000 -115.32140 -111.87454 3.44686 2.02790 -112.23942 531.46024
6330.0000 -115.47992 -112.22461 3.25531 2.02805 -112.23750 511.68511
6335.0000 -115.50090 -112.43737 3.06353 2.04353 -112.03582 527.56148
6340.0000 -115.54408 -111.63309 3.91100 2.05579 -111.87620 578.92481
6345.0000 -116.01259 -112.41800 3.59459 2.06683 -111.73243 563.38072
6350.0000 -115.66315 -112.58370 3.07945 2.00440 -112.54538 528.44797
6355.0000 -115.73742 -112.11069 3.62672 2.01848 -112.36209 541.42916
6360.0000 -114.73554 -110.99293 3.74260 2.07521 -111.62326 560.63794
6365.0000 -114.97489 -111.43514 3.53975 2.11463 -111.10982 586.96486
6370.0000 -115.21639 -111.39985 3.81654 2.07773 -111.59038 559.03082
6375.0000 -115.45844 -112.11629 3.34215 2.04883 -111.96685 558.64008
6380.0000 -115.63315 -112.70494 2.92821 2.01287 -112.43513 538.75801
6385.0000 -115.98485 -112.23282 3.75202 2.00244 -112.57091 536.63864
6390.0000 -115.79991 -112.24243 3.55749 2.05154 -111.93156 572.23842
6395.0000 -115.25703 -112.10067 3.15636 2.03576 -112.13708 543.89901
6400.0000 -116.19063 -112.31481 3.87582 2.05454 -111.89248 573.73963
6405.0000 -115.49130 -112.84562 2.64568 1.96801 -113.01934 507.16964
6410.0000 -115.29107 -112.17399 3.11708 1.98831 -112.75498 483.22416
6415.0000 -115.10032 -112.30404 2.79628 2.01598 -112.39465 484.78824
6420.0000 -115.43811 -112.02981 3.40830 2.03191 -112.18714 536.57516
6425.0000 -115.21070 -112.50927 2.70143 2.04363 -112.03458 539.58693
6430.0000 -115.30385 -112.05887 3.24498 2.01521 -112.40464 539.40025
6435.0000 -116.37359 -112.75506 3.61853 2.00529 -112.53382 544.73576
6440.0000 -115.67857 -112.74749 2.93108 2.01631 -112.39027 546.61338
6445.0000 -115.84366 -113.18028 2.66339 1.96847 -113.01340 504.25176
6450.0000 -116.49238 -112.43318 4.05921 1.95326 -113.21153 472.87670
6455.0000 -115.06160 -112.15398 2.90762 2.03912 -112.09332 554.56408
6460.0000 -115.77327 -113.07978 2.69348 1.97335 -112.94987 487.80356
6465.0000 -115.73665 -112.59751 3.13914 1.97312 -112.95285 496.93630
6470.0000 -115.81174 -112.25173 3.56002 2.02164 -112.32095 542.98663
6475.0000 -114.64499 -110.58230 4.06269 2.10441 -111.24299 619.69048
6480.0000 -115.65285 -112.03838 3.61448 2.07848 -111.58070 588.98908
6485.0000 -115.88098 -113.04560 2.83538 2.02318 -112.30083 543.72796
6490.0000 -116.04708 -113.05518 2.99190 1.97853 -112.88236 500.28701
6495.0000 -115.47513 -112.36133 3.11380 2.00328 -112.56005 518.22211
6500.0000 -115.75729 -112.40368 3.35361 2.08180 -111.53743 582.36251
FREEZING PROCESS: loop number 27 T-loop= 515.00000000000000
main_MD> interactions number 27 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47188 -0.88810 -1.75029
force_rgl> df(natom) -1.76698 -0.09002 1.38668
6505.0000 -115.92271 -112.49342 3.42930 1.99401 -112.68075 514.41306
6510.0000 -115.02966 -111.82679 3.20287 2.03318 -112.17063 536.09345
6515.0000 -115.79870 -112.47235 3.32635 2.02181 -112.31876 535.66457
6520.0000 -114.98950 -111.88237 3.10713 2.02254 -112.30924 529.14733
6525.0000 -115.44360 -112.55087 2.89273 2.01785 -112.37034 517.68718
6530.0000 -115.48609 -112.77827 2.70782 2.01254 -112.43941 528.51627
6535.0000 -116.08702 -112.68537 3.40165 2.01409 -112.41922 522.49163
6540.0000 -115.63948 -112.96717 2.67231 1.98593 -112.78601 488.60643
6545.0000 -115.97088 -112.76785 3.20304 1.98824 -112.75585 524.39407
6550.0000 -115.95914 -113.22947 2.72967 1.97611 -112.91391 501.95357
6555.0000 -116.40829 -113.36910 3.03919 1.92996 -113.51491 459.18459
6560.0000 -115.79192 -112.95976 2.83216 1.96410 -113.07036 492.36569
6565.0000 -115.67546 -113.23825 2.43721 1.93966 -113.38858 447.29544
6570.0000 -116.46082 -113.84008 2.62074 1.93859 -113.40250 429.12966
6575.0000 -115.35938 -112.57899 2.78039 1.93921 -113.39448 466.87616
6580.0000 -115.84885 -113.24688 2.60198 1.98734 -112.76765 511.54580
6585.0000 -116.75167 -112.42785 4.32382 1.99320 -112.69131 496.36041
6590.0000 -116.15629 -112.65487 3.50142 2.00101 -112.58965 518.20764
6595.0000 -115.70308 -112.78290 2.92018 1.99295 -112.69453 526.62887
6600.0000 -116.24894 -112.85173 3.39721 1.95714 -113.16089 493.21970
6605.0000 -115.96492 -113.23680 2.72812 1.94799 -113.28006 507.19082
6610.0000 -116.26940 -112.91424 3.35516 1.94475 -113.32227 489.34276
6615.0000 -116.20142 -112.65685 3.54457 1.98611 -112.78366 509.54681
6620.0000 -116.19746 -113.44772 2.74973 1.96275 -113.08782 497.43372
6625.0000 -116.55367 -113.66001 2.89366 1.89085 -114.02427 440.90366
6630.0000 -116.90142 -114.07173 2.82969 1.90839 -113.79578 453.84158
6635.0000 -116.90236 -113.87943 3.02293 1.93949 -113.39075 479.94773
6640.0000 -116.67220 -113.20954 3.46266 1.90764 -113.80564 451.76317
6645.0000 -115.90937 -112.86643 3.04294 1.94703 -113.29261 502.47817
6650.0000 -115.91318 -113.25392 2.65926 1.99456 -112.67363 516.04851
6655.0000 -115.82862 -113.23205 2.59657 1.93823 -113.40722 448.80848
6660.0000 -116.01501 -112.57822 3.43679 1.96700 -113.03258 492.77380
6665.0000 -115.45983 -112.29682 3.16301 2.02734 -112.24665 552.49856
6670.0000 -115.31562 -111.78842 3.52721 2.04256 -112.04851 541.52472
6675.0000 -115.57771 -112.16250 3.41521 2.03109 -112.19786 516.86805
6680.0000 -115.44459 -111.96909 3.47550 2.05434 -111.89507 543.90896
6685.0000 -115.82506 -112.96693 2.85813 2.00817 -112.49632 524.31557
6690.0000 -115.74180 -112.57809 3.16371 2.00009 -112.60152 513.34444
6695.0000 -116.04254 -112.66740 3.37514 1.97572 -112.91900 484.46618
6700.0000 -116.40113 -112.30864 4.09248 1.97373 -112.94493 486.68138
6705.0000 -116.04285 -112.92006 3.12280 2.02456 -112.28283 533.72138
6710.0000 -115.48577 -112.68928 2.79649 1.97740 -112.89713 499.63887
6715.0000 -116.39682 -113.28745 3.10937 1.95024 -113.25082 478.18257
6720.0000 -115.54107 -112.55545 2.98562 2.00777 -112.50161 530.93430
6725.0000 -115.70874 -112.63713 3.07161 1.97169 -112.97151 490.83044
6730.0000 -114.57956 -111.40147 3.17809 2.04318 -112.04038 544.00165
6735.0000 -116.00328 -112.69408 3.30920 2.00987 -112.47422 507.14427
6740.0000 -115.49502 -112.44845 3.04657 2.00924 -112.48239 513.85847
6745.0000 -116.07775 -112.35705 3.72070 2.00244 -112.57091 512.73595
6750.0000 -115.57820 -112.07484 3.50337 2.02111 -112.32777 524.92320
FREEZING PROCESS: loop number 28 T-loop= 490.00000000000000
main_MD> interactions number 28 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.25895 -0.29974 0.54553
force_rgl> df(natom) -1.71976 0.68488 -0.23732
6755.0000 -116.02430 -113.13162 2.89268 1.99186 -112.70877 504.96723
6760.0000 -116.36106 -113.44155 2.91951 1.96194 -113.09843 485.19052
6765.0000 -116.15919 -113.35111 2.80808 1.91011 -113.77351 443.46985
6770.0000 -116.33602 -113.86060 2.47542 1.91913 -113.65600 453.41383
6775.0000 -116.29361 -113.51616 2.77745 1.90356 -113.85874 427.07105
6780.0000 -116.56124 -113.80435 2.75689 1.93092 -113.50240 454.65815
6785.0000 -116.47232 -113.85033 2.62198 1.89304 -113.99573 427.50791
6790.0000 -116.09547 -112.92667 3.16880 1.93806 -113.40939 480.26086
6795.0000 -116.45877 -113.68054 2.77822 1.94925 -113.26364 486.58264
6800.0000 -116.19950 -113.30057 2.89893 1.94781 -113.28244 484.38954
6805.0000 -116.21513 -113.70080 2.51432 1.92730 -113.54952 476.19807
6810.0000 -116.74311 -113.90514 2.83797 1.90731 -113.80995 445.46148
6815.0000 -115.79995 -113.50585 2.29409 1.93605 -113.43565 473.68555
6820.0000 -116.25108 -113.06958 3.18150 1.94124 -113.36799 483.60486
6825.0000 -116.50981 -113.46860 3.04121 1.93594 -113.43702 486.31206
6830.0000 -116.16027 -113.67528 2.48499 1.92799 -113.54059 434.48779
6835.0000 -115.52007 -112.12483 3.39524 1.96390 -113.07285 481.99094
6840.0000 -116.16437 -113.09906 3.06531 1.98888 -112.74754 517.25018
6845.0000 -115.68845 -112.78995 2.89850 1.95937 -113.13185 503.88314
6850.0000 -116.17961 -112.48513 3.69448 1.99089 -112.72136 507.12960
6855.0000 -115.94371 -113.19102 2.75269 1.97712 -112.90078 484.21673
6860.0000 -116.68195 -114.22557 2.45638 1.92380 -113.59521 462.83625
6865.0000 -116.37410 -113.57921 2.79489 1.88777 -114.06442 412.86125
6870.0000 -115.98315 -113.76163 2.22152 1.93446 -113.45626 463.98290
6875.0000 -116.20686 -113.04008 3.16678 1.92300 -113.60555 474.23333
6880.0000 -116.81488 -113.81934 2.99554 1.93624 -113.43309 470.56388
6885.0000 -116.71854 -113.56931 3.14923 1.91685 -113.68568 430.37102
6890.0000 -116.45452 -113.67021 2.78432 1.92937 -113.52265 452.92568
6895.0000 -116.00295 -113.89892 2.10403 1.88532 -114.09629 427.63087
6900.0000 -116.31962 -113.58844 2.73119 1.91751 -113.67705 450.68988
6905.0000 -115.60507 -112.45142 3.15365 1.95352 -113.20813 476.76047
6910.0000 -116.17517 -112.71048 3.46469 1.99725 -112.63854 512.25399
6915.0000 -116.74606 -113.09932 3.64674 2.00564 -112.52926 549.19054
6920.0000 -116.33837 -112.70046 3.63791 1.96348 -113.07843 536.55985
6925.0000 -115.61772 -112.81235 2.80537 1.99644 -112.64917 535.20837
6930.0000 -115.70919 -112.97302 2.73617 2.00643 -112.51902 532.52417
6935.0000 -116.40672 -112.99917 3.40755 1.94139 -113.36612 489.05949
6940.0000 -116.78406 -113.50718 3.27688 1.95108 -113.23983 508.48347
6945.0000 -116.94885 -113.42743 3.52142 1.92603 -113.56615 502.58034
6950.0000 -116.90055 -113.82823 3.07232 1.92345 -113.59968 494.64664
6955.0000 -116.88789 -113.98422 2.90367 1.93509 -113.44811 504.15956
6960.0000 -116.76337 -113.56940 3.19397 1.90333 -113.86178 474.10460
6965.0000 -116.79596 -113.75709 3.03887 1.90992 -113.77590 476.06426
6970.0000 -116.47165 -113.18627 3.28538 1.94880 -113.26960 537.97572
6975.0000 -116.64448 -114.26979 2.37468 1.91689 -113.68513 488.41504
6980.0000 -117.13950 -114.39931 2.74019 1.86695 -114.33548 444.12177
6985.0000 -117.20480 -114.94607 2.25873 1.83777 -114.71559 411.59639
6990.0000 -116.41061 -113.30759 3.10302 1.90013 -113.90346 468.44378
6995.0000 -116.59249 -113.68051 2.91198 1.92844 -113.53474 489.66405
7000.0000 -116.20116 -113.30374 2.89741 1.95313 -113.21322 510.32408
FREEZING PROCESS: loop number 29 T-loop= 465.00000000000000
main_MD> interactions number 29 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53304 -2.29502 1.62381
force_rgl> df(natom) -0.37115 1.97095 -1.95684
7005.0000 -116.65534 -113.34527 3.31007 1.92685 -113.55536 491.69433
7010.0000 -116.31886 -113.15732 3.16155 1.91566 -113.70120 481.26351
7015.0000 -116.67784 -113.42871 3.24912 1.92472 -113.58318 486.07072
7020.0000 -116.57631 -114.05996 2.51635 1.92707 -113.55251 483.56527
7025.0000 -116.40272 -113.63478 2.76795 1.94142 -113.36573 491.98191
7030.0000 -116.15457 -113.45532 2.69925 1.94583 -113.30827 484.80114
7035.0000 -116.76070 -114.52388 2.23682 1.89538 -113.96530 447.53194
7040.0000 -116.36501 -113.20953 3.15548 1.88592 -114.08852 448.55477
7045.0000 -116.53929 -113.88192 2.65738 1.92618 -113.56421 501.13693
7050.0000 -117.01255 -114.12943 2.88312 1.86507 -114.35998 431.50511
7055.0000 -116.41049 -113.49413 2.91637 1.90615 -113.82498 468.77114
7060.0000 -116.76153 -113.95157 2.80996 1.89802 -113.93084 451.75118
7065.0000 -116.80806 -114.00021 2.80785 1.89767 -113.93551 462.17213
7070.0000 -117.26566 -114.54332 2.72234 1.89206 -114.00846 452.21679
7075.0000 -117.12715 -114.70023 2.42692 1.85920 -114.43643 413.90765
7080.0000 -116.82230 -114.25537 2.56693 1.85795 -114.45272 441.90220
7085.0000 -117.12359 -114.42500 2.69859 1.86013 -114.42439 447.37690
7090.0000 -117.26121 -114.60940 2.65182 1.84664 -114.60000 427.92602
7095.0000 -117.43580 -114.98232 2.45349 1.83267 -114.78201 420.49782
7100.0000 -117.09252 -114.60189 2.49063 1.84540 -114.61620 421.35758
7105.0000 -116.67200 -114.61541 2.05659 1.84110 -114.67223 405.83178
7110.0000 -117.32405 -114.19681 3.12723 1.85134 -114.53881 388.19727
7115.0000 -116.23799 -113.72018 2.51781 1.87339 -114.25169 416.34250
7120.0000 -115.99116 -113.16701 2.82415 1.93877 -113.40017 477.40820
7125.0000 -115.72426 -113.01795 2.70631 1.97701 -112.90218 498.79205
7130.0000 -116.25783 -112.81758 3.44025 1.95953 -113.12983 493.99990
7135.0000 -116.08885 -113.05846 3.03039 1.96197 -113.09797 484.56365
7140.0000 -116.01582 -113.17591 2.83992 1.95109 -113.23972 467.30348
7145.0000 -116.35078 -113.26146 3.08932 1.94168 -113.36231 473.98704
7150.0000 -116.30524 -114.19634 2.10890 1.92200 -113.61854 459.66797
7155.0000 -117.18871 -114.57383 2.61488 1.86617 -114.34564 412.65397
7160.0000 -117.08759 -114.38509 2.70250 1.87776 -114.19477 424.56233
7165.0000 -116.94701 -114.68095 2.26605 1.85284 -114.51935 398.42046
7170.0000 -116.42825 -114.11641 2.31184 1.86339 -114.38185 411.76080
7175.0000 -117.02191 -114.00139 3.02052 1.90906 -113.78714 460.72631
7180.0000 -116.72746 -113.61467 3.11279 1.90698 -113.81420 456.24753
7185.0000 -116.47333 -113.41390 3.05943 1.92984 -113.51646 478.74596
7190.0000 -116.62647 -114.11305 2.51342 1.88179 -114.14229 432.63279
7195.0000 -116.01040 -112.74587 3.26452 1.93207 -113.48746 467.71827
7200.0000 -116.23783 -112.56513 3.67270 1.98596 -112.78554 504.03003
7205.0000 -115.46662 -112.63138 2.83523 1.99700 -112.64187 520.69783
7210.0000 -115.48176 -112.19251 3.28926 1.99357 -112.68651 561.11845
7215.0000 -115.69878 -113.53394 2.16483 1.98093 -112.85109 546.14099
7220.0000 -116.94129 -114.15250 2.78879 1.89372 -113.98690 464.41978
7225.0000 -117.45867 -114.42282 3.03585 1.90469 -113.84399 479.30870
7230.0000 -117.36926 -114.58617 2.78309 1.86001 -114.42594 434.28289
7235.0000 -117.31090 -114.39841 2.91249 1.87161 -114.27486 453.85671
7240.0000 -117.36027 -115.06871 2.29156 1.81102 -115.06393 390.06874
7245.0000 -116.84324 -114.33751 2.50573 1.84974 -114.55963 399.76422
7250.0000 -116.64087 -113.87263 2.76824 1.86009 -114.42495 398.40793
FREEZING PROCESS: loop number 30 T-loop= 440.00000000000000
main_MD> interactions number 30 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.00111 0.19836 1.25163
force_rgl> df(natom) 0.68528 0.94609 1.87319
7255.0000 -116.35467 -114.23218 2.12249 1.91487 -113.71148 437.95452
7260.0000 -116.15459 -113.93618 2.21841 1.89455 -113.97612 417.07850
7265.0000 -115.77683 -113.17483 2.60199 1.91348 -113.72951 425.05572
7270.0000 -116.09917 -113.59828 2.50089 1.94265 -113.34964 456.09690
7275.0000 -116.65700 -114.23466 2.42234 1.92342 -113.60012 450.25495
7280.0000 -115.90153 -113.01755 2.88397 1.95133 -113.23666 476.42284
7285.0000 -115.48014 -112.73591 2.74423 1.97326 -112.95105 487.95215
7290.0000 -115.88123 -113.47801 2.40322 1.95093 -113.24183 467.58204
7295.0000 -116.40465 -113.61773 2.78692 1.92301 -113.60545 458.05530
7300.0000 -116.56636 -113.84245 2.72390 1.89641 -113.95185 443.85102
7305.0000 -116.87598 -114.32443 2.55155 1.89773 -113.93469 464.15617
7310.0000 -117.31751 -114.29609 3.02142 1.86947 -114.30275 423.12016
7315.0000 -117.26102 -114.20092 3.06010 1.86512 -114.35937 438.18516
7320.0000 -116.88782 -113.78145 3.10637 1.87090 -114.28413 434.94659
7325.0000 -116.03609 -113.01421 3.02188 1.94803 -113.27957 512.57020
7330.0000 -116.92960 -114.43184 2.49776 1.90631 -113.82297 461.62371
7335.0000 -116.76632 -114.27217 2.49415 1.87367 -114.24806 450.62900
7340.0000 -117.32703 -114.36147 2.96556 1.84912 -114.56772 429.01712
7345.0000 -116.78003 -113.48748 3.29256 1.89943 -113.91254 473.04524
7350.0000 -117.14210 -114.12036 3.02174 1.90325 -113.86278 480.76791
7355.0000 -116.61929 -113.56980 3.04949 1.90314 -113.86420 480.68733
7360.0000 -116.49476 -113.84165 2.65310 1.92178 -113.62147 469.12534
7365.0000 -116.00388 -113.57185 2.43203 1.90938 -113.78295 431.56466
7370.0000 -116.83080 -113.99973 2.83107 1.89442 -113.97784 445.38746
7375.0000 -116.70167 -113.96738 2.73429 1.89305 -113.99569 449.91878
7380.0000 -117.28042 -114.58313 2.69729 1.87105 -114.28218 450.90438
7385.0000 -116.79228 -114.63190 2.16037 1.83691 -114.72682 408.05280
7390.0000 -116.43581 -113.75698 2.67884 1.84402 -114.63417 428.24800
7395.0000 -116.36133 -113.78672 2.57460 1.90155 -113.88490 473.53783
7400.0000 -116.98257 -114.32347 2.65910 1.89612 -113.95564 460.84399
7405.0000 -116.62409 -113.95110 2.67299 1.92286 -113.60737 499.07468
7410.0000 -116.96798 -114.49440 2.47358 1.88175 -114.14278 449.32890
7415.0000 -117.50175 -114.25427 3.24747 1.87866 -114.18309 452.48190
7420.0000 -116.97523 -114.40026 2.57497 1.85496 -114.49167 434.10219
7425.0000 -117.51259 -114.44180 3.07079 1.85838 -114.44720 433.31035
7430.0000 -116.54923 -113.38090 3.16833 1.86267 -114.39126 446.06528
7435.0000 -117.00554 -114.46655 2.53899 1.87223 -114.26673 463.82640
7440.0000 -117.53063 -114.96699 2.56364 1.82622 -114.86595 414.57800
7445.0000 -117.49293 -114.92102 2.57191 1.83579 -114.74130 426.50682
7450.0000 -116.73211 -114.40425 2.32786 1.84115 -114.67160 429.32842
7455.0000 -116.86543 -113.60457 3.26086 1.86635 -114.34340 444.62316
7460.0000 -116.88359 -114.08261 2.80098 1.89635 -113.95268 481.04160
7465.0000 -116.60000 -113.90735 2.69265 1.90358 -113.85855 487.92323
7470.0000 -116.84317 -114.23660 2.60657 1.88679 -114.07715 470.47288
7475.0000 -117.88972 -114.84937 3.04036 1.82218 -114.91856 410.27336
7480.0000 -116.88295 -114.54235 2.34060 1.83620 -114.73599 425.63879
7485.0000 -117.11030 -114.63101 2.47928 1.87743 -114.19901 460.69708
7490.0000 -117.00217 -114.53250 2.46967 1.85969 -114.43004 446.67401
7495.0000 -117.53869 -114.64745 2.89124 1.85810 -114.45084 443.56784
7500.0000 -117.43850 -114.94471 2.49379 1.83421 -114.76190 411.09277
FREEZING PROCESS: loop number 31 T-loop= 415.00000000000000
main_MD> interactions number 31 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25511 -0.11242 2.32789
force_rgl> df(natom) -0.64409 -0.79682 -1.85308
7505.0000 -117.00281 -114.97925 2.02355 1.82374 -114.89835 394.99146
7510.0000 -117.53352 -114.78561 2.74792 1.83630 -114.73469 407.99307
7515.0000 -117.78521 -115.49421 2.29101 1.81353 -115.03126 381.86273
7520.0000 -117.42471 -115.57514 1.84957 1.78766 -115.36822 355.25203
7525.0000 -116.67920 -114.53958 2.13963 1.78348 -115.42263 356.36162
7530.0000 -116.76346 -114.44303 2.32043 1.87473 -114.23423 440.05172
7535.0000 -116.66406 -114.56789 2.09617 1.85113 -114.54160 399.57548
7540.0000 -117.22711 -114.61559 2.61152 1.84085 -114.67552 409.99940
7545.0000 -117.03661 -114.26607 2.77054 1.83390 -114.76603 403.98639
7550.0000 -116.91185 -114.69175 2.22010 1.87849 -114.18526 444.34502
7555.0000 -116.82089 -114.24381 2.57708 1.83614 -114.73681 385.35941
7560.0000 -116.99780 -114.74056 2.25724 1.84945 -114.56340 392.43833
7565.0000 -116.91553 -114.58125 2.33427 1.84453 -114.62751 405.08288
7570.0000 -117.07530 -114.24223 2.83307 1.86930 -114.30493 432.74985
7575.0000 -117.61824 -114.44936 3.16889 1.88144 -114.14678 444.66385
7580.0000 -117.68216 -114.76880 2.91336 1.83178 -114.79365 413.89685
7585.0000 -117.45538 -114.78586 2.66952 1.80570 -115.13322 396.77451
7590.0000 -116.66954 -114.45049 2.21905 1.85434 -114.49981 437.62110
7595.0000 -117.77736 -115.20967 2.56769 1.81132 -115.06005 392.17602
7600.0000 -117.43931 -114.87966 2.55965 1.82244 -114.91517 409.33202
7605.0000 -117.46721 -115.06552 2.40170 1.82544 -114.87613 413.86340
7610.0000 -117.17227 -114.55810 2.61417 1.82708 -114.85481 415.59812
7615.0000 -118.11356 -115.62897 2.48459 1.80201 -115.18128 388.19482
7620.0000 -117.84159 -115.48354 2.35806 1.76086 -115.71722 352.87338
7625.0000 -117.74949 -115.39814 2.35135 1.79238 -115.30674 387.13202
7630.0000 -117.68130 -115.47709 2.20422 1.78209 -115.44077 373.74322
7635.0000 -117.48550 -114.69522 2.79028 1.81773 -114.97650 407.06925
7640.0000 -117.60360 -114.80178 2.80182 1.83160 -114.79592 409.83949
7645.0000 -117.06178 -114.43368 2.62810 1.84911 -114.56794 436.01780
7650.0000 -117.12058 -114.69817 2.42241 1.86304 -114.38649 445.67990
7655.0000 -117.41861 -115.24587 2.17274 1.83072 -114.80736 420.10432
7660.0000 -117.47469 -115.08052 2.39417 1.81288 -115.03971 403.48220
7665.0000 -117.77614 -115.17792 2.59823 1.76205 -115.70171 357.30040
7670.0000 -117.34432 -114.98615 2.35817 1.79402 -115.28535 380.49451
7675.0000 -117.33135 -114.94507 2.38628 1.79870 -115.22436 383.16798
7680.0000 -116.97935 -114.18696 2.79239 1.85118 -114.54093 426.72079
7685.0000 -117.47674 -115.11619 2.36055 1.84638 -114.60339 421.00991
7690.0000 -117.25090 -114.36653 2.88437 1.84339 -114.64238 412.42814
7695.0000 -116.67963 -113.75466 2.92497 1.88490 -114.10174 457.79608
7700.0000 -117.01145 -115.06391 1.94754 1.85609 -114.47694 427.02507
7705.0000 -117.60855 -115.12207 2.48648 1.81079 -115.06700 391.21841
7710.0000 -117.59031 -115.14795 2.44237 1.80919 -115.08784 392.20604
7715.0000 -117.77823 -115.29171 2.48652 1.79711 -115.24506 373.44850
7720.0000 -117.68750 -114.99674 2.69076 1.81924 -114.95693 397.72866
7725.0000 -117.25897 -114.69934 2.55963 1.82614 -114.86701 399.01857
7730.0000 -117.71070 -114.92921 2.78148 1.82328 -114.90426 406.64921
7735.0000 -117.29671 -114.61618 2.68053 1.83038 -114.81185 406.34306
7740.0000 -117.27540 -114.34354 2.93186 1.86040 -114.42083 443.16015
7745.0000 -117.10547 -115.16845 1.93702 1.83942 -114.69413 416.51504
7750.0000 -116.79925 -114.51561 2.28363 1.82391 -114.89602 394.69579
FREEZING PROCESS: loop number 32 T-loop= 390.00000000000000
main_MD> interactions number 32 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61969 0.59275 1.26112
force_rgl> df(natom) 1.53791 -0.59849 0.61678
7755.0000 -117.00883 -114.74061 2.26822 1.82546 -114.87593 398.54774
7760.0000 -117.39631 -115.25274 2.14357 1.83269 -114.78178 406.53244
7765.0000 -116.71859 -114.54331 2.17528 1.83301 -114.77762 407.71608
7770.0000 -117.27291 -114.88677 2.38614 1.82199 -114.92112 386.41693
7775.0000 -117.06192 -114.49383 2.56809 1.83029 -114.81297 398.87169
7780.0000 -117.37112 -115.03259 2.33853 1.85894 -114.43981 427.85325
7785.0000 -117.69389 -115.11840 2.57548 1.81041 -115.07190 370.39103
7790.0000 -117.55346 -115.02153 2.53193 1.81443 -115.01956 389.24126
7795.0000 -117.17721 -115.27402 1.90318 1.81970 -114.95094 400.05950
7800.0000 -117.67999 -115.05106 2.62893 1.76706 -115.63646 355.92017
7805.0000 -117.71658 -115.58922 2.12736 1.79414 -115.28378 385.86979
7810.0000 -117.44658 -114.85371 2.59287 1.79533 -115.26824 386.34974
7815.0000 -117.89279 -115.14704 2.74575 1.83747 -114.71946 422.72556
7820.0000 -117.93622 -115.62980 2.30642 1.77108 -115.58415 359.21387
7825.0000 -117.55473 -115.22755 2.32718 1.78198 -115.44211 366.68707
7830.0000 -117.31982 -115.12601 2.19381 1.79657 -115.25215 386.19520
7835.0000 -117.46290 -115.23172 2.23119 1.80826 -115.09986 406.12582
7840.0000 -117.91479 -115.60147 2.31333 1.79472 -115.27629 391.82856
7845.0000 -117.41084 -114.71656 2.69428 1.79270 -115.30258 384.67680
7850.0000 -117.78368 -115.61853 2.16515 1.79199 -115.31181 384.90174
7855.0000 -117.57894 -115.03063 2.54831 1.77864 -115.48562 373.22565
7860.0000 -117.62680 -115.38509 2.24172 1.79328 -115.29501 362.54850
7865.0000 -116.96494 -114.73096 2.23398 1.83236 -114.78601 403.35361
7870.0000 -117.23172 -115.07004 2.16169 1.83321 -114.77496 406.70869
7875.0000 -117.71488 -115.08074 2.63414 1.81922 -114.95712 412.35051
7880.0000 -117.37250 -115.36925 2.00325 1.80464 -115.14704 404.14796
7885.0000 -117.48854 -115.12877 2.35977 1.81623 -114.99613 391.41022
7890.0000 -117.50070 -114.96372 2.53698 1.82102 -114.93374 405.90301
7895.0000 -117.23275 -115.14286 2.08989 1.82195 -114.92163 407.49337
7900.0000 -117.80721 -115.22686 2.58035 1.79909 -115.21927 391.65968
7905.0000 -117.46186 -114.89247 2.56939 1.79307 -115.29768 387.68267
7910.0000 -117.79732 -115.40025 2.39707 1.80326 -115.16501 414.63146
7915.0000 -117.67194 -114.58498 3.08696 1.80876 -115.09333 406.62379
7920.0000 -117.76525 -115.46890 2.29635 1.81842 -114.96759 412.94058
7925.0000 -117.57779 -115.45464 2.12315 1.79800 -115.23356 395.13146
7930.0000 -117.45485 -115.20031 2.25454 1.78306 -115.42815 367.77612
7935.0000 -117.82521 -115.80100 2.02421 1.77676 -115.51020 363.07089
7940.0000 -117.54684 -115.49812 2.04872 1.77960 -115.47318 364.69712
7945.0000 -117.45662 -115.07469 2.38193 1.77849 -115.48761 365.55778
7950.0000 -117.37136 -114.83618 2.53518 1.82008 -114.94595 407.61553
7955.0000 -117.34443 -115.23853 2.10590 1.80450 -115.14888 395.77473
7960.0000 -118.35863 -115.91754 2.44109 1.76477 -115.66630 358.12997
7965.0000 -117.65452 -115.24985 2.40467 1.78319 -115.42642 374.41349
7970.0000 -117.74178 -115.41768 2.32410 1.77927 -115.47750 368.82602
7975.0000 -117.64458 -114.95208 2.69251 1.82916 -114.82776 401.93043
7980.0000 -117.42516 -115.51894 1.90621 1.79257 -115.30429 383.55603
7985.0000 -117.64125 -115.19698 2.44427 1.76369 -115.68030 348.76499
7990.0000 -117.52945 -114.99957 2.52988 1.81142 -115.05869 400.30336
7995.0000 -117.47087 -115.06955 2.40132 1.82784 -114.84490 409.38263
8000.0000 -117.50544 -115.10160 2.40384 1.80257 -115.17395 385.59007
FREEZING PROCESS: loop number 33 T-loop= 365.00000000000000
main_MD> interactions number 33 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47279 2.37842 3.31997
force_rgl> df(natom) -2.07454 -1.01109 -0.50441
8005.0000 -118.09279 -115.94512 2.14767 1.77584 -115.52209 350.00022
8010.0000 -117.43978 -115.05637 2.38341 1.76746 -115.63130 347.66078
8015.0000 -117.33654 -115.15711 2.17943 1.82709 -114.85465 399.81990
8020.0000 -117.81937 -115.72001 2.09936 1.79589 -115.26096 377.53170
8025.0000 -117.96684 -115.86237 2.10447 1.77872 -115.48457 364.29962
8030.0000 -118.13874 -115.98485 2.15389 1.73708 -116.02695 331.30451
8035.0000 -117.97890 -115.39497 2.58393 1.76966 -115.60263 360.45801
8040.0000 -117.71039 -115.70586 2.00453 1.77091 -115.58630 359.32094
8045.0000 -117.59662 -115.37819 2.21843 1.76657 -115.64284 352.98623
8050.0000 -116.97829 -115.04400 1.93429 1.81820 -114.97044 401.58065
8055.0000 -117.49612 -115.15393 2.34219 1.83136 -114.79910 415.16691
8060.0000 -117.92827 -115.63268 2.29559 1.77450 -115.53962 366.14193
8065.0000 -118.26631 -115.86159 2.40471 1.75239 -115.82748 350.61814
8070.0000 -118.11800 -115.52283 2.59517 1.78283 -115.43113 371.93064
8075.0000 -117.84456 -115.58491 2.25965 1.77424 -115.54298 360.38152
8080.0000 -117.55132 -115.74674 1.80458 1.76166 -115.70676 350.62776
8085.0000 -117.99029 -115.49018 2.50011 1.77115 -115.58314 366.11114
8090.0000 -117.68266 -115.73587 1.94679 1.75465 -115.79812 350.03356
8095.0000 -117.78817 -115.93665 1.85152 1.73712 -116.02643 334.72182
8100.0000 -117.97264 -115.83878 2.13386 1.73899 -116.00202 332.61060
8105.0000 -118.09819 -115.78463 2.31356 1.75466 -115.79793 344.67582
8110.0000 -117.52377 -115.79292 1.73086 1.75811 -115.75298 349.55884
8115.0000 -117.86368 -115.28856 2.57511 1.78503 -115.40248 372.72289
8120.0000 -118.26482 -115.87133 2.39349 1.75508 -115.79247 350.91244
8125.0000 -117.61711 -115.36608 2.25103 1.78265 -115.43341 360.34852
8130.0000 -118.01564 -115.81627 2.19937 1.80036 -115.20275 385.12206
8135.0000 -117.38796 -115.39886 1.98910 1.76079 -115.71809 350.29757
8140.0000 -117.08225 -115.01737 2.06488 1.80685 -115.11821 391.81560
8145.0000 -117.63564 -115.34101 2.29463 1.79837 -115.22866 386.37291
8150.0000 -117.58724 -115.45870 2.12854 1.78738 -115.37182 380.05591
8155.0000 -117.86323 -115.64680 2.21644 1.77584 -115.52209 366.05745
8160.0000 -117.74886 -115.55405 2.19481 1.76510 -115.66205 361.62230
8165.0000 -117.83353 -115.75989 2.07364 1.77647 -115.51395 361.58590
8170.0000 -118.19437 -116.19584 1.99854 1.72193 -116.22427 315.66058
8175.0000 -117.73144 -115.48886 2.24258 1.77004 -115.59767 360.66289
8180.0000 -117.81668 -115.75673 2.05995 1.76862 -115.61620 355.35396
8185.0000 -117.68990 -115.26555 2.42435 1.79932 -115.21632 385.17105
8190.0000 -117.42001 -114.92934 2.49067 1.80734 -115.11194 386.51016
8195.0000 -117.56659 -115.55383 2.01276 1.79270 -115.30253 376.30752
8200.0000 -117.95393 -115.88846 2.06547 1.77563 -115.52489 357.98239
8205.0000 -117.63343 -115.36933 2.26410 1.75344 -115.81389 341.62385
8210.0000 -117.27308 -115.28116 1.99192 1.79711 -115.24511 385.77595
8215.0000 -118.06749 -115.73418 2.33331 1.79679 -115.24929 388.20419
8220.0000 -117.78541 -115.52498 2.26043 1.78232 -115.43769 374.97793
8225.0000 -118.08694 -115.82630 2.26063 1.76178 -115.70528 362.62559
8230.0000 -116.99929 -115.12653 1.87277 1.77406 -115.54528 354.53870
8235.0000 -117.74345 -115.91126 1.83218 1.76443 -115.67076 355.67079
8240.0000 -117.63428 -115.41635 2.21793 1.78622 -115.38693 366.11083
8245.0000 -118.03953 -115.59650 2.44303 1.78030 -115.46400 368.47349
8250.0000 -117.73998 -115.13420 2.60578 1.78640 -115.38463 378.97579
FREEZING PROCESS: loop number 34 T-loop= 340.00000000000000
main_MD> interactions number 34 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69620 -0.83621 -1.82518
force_rgl> df(natom) 1.08613 -0.04551 -0.49893
8255.0000 -118.06901 -116.17073 1.89828 1.78136 -115.45029 375.78843
8260.0000 -118.09994 -116.13381 1.96613 1.72355 -116.20318 319.37385
8265.0000 -118.36440 -116.15351 2.21089 1.73472 -116.05769 332.78593
8270.0000 -117.97811 -116.08772 1.89039 1.73016 -116.11707 327.75406
8275.0000 -118.22285 -116.53737 1.68549 1.70640 -116.42646 295.68535
8280.0000 -118.42685 -116.65071 1.77614 1.70748 -116.41236 300.03554
8285.0000 -118.31158 -116.78616 1.52542 1.68768 -116.67027 283.43198
8290.0000 -118.17508 -115.98111 2.19397 1.69810 -116.53463 289.53897
8295.0000 -117.85903 -115.88162 1.97740 1.72813 -116.14344 321.04582
8300.0000 -118.13037 -116.30040 1.82996 1.74922 -115.86878 337.95531
8305.0000 -118.15326 -115.98167 2.17158 1.73842 -116.00947 326.58236
8310.0000 -118.10129 -115.80783 2.29347 1.75220 -115.82999 339.32790
8315.0000 -117.89718 -115.89254 2.00464 1.73665 -116.03247 323.36495
8320.0000 -117.95433 -115.58940 2.36494 1.76181 -115.70481 348.66818
8325.0000 -118.02521 -116.17026 1.85494 1.77446 -115.54010 355.90920
8330.0000 -117.76137 -115.70659 2.05478 1.75859 -115.74672 341.03303
8335.0000 -117.40763 -115.23074 2.17689 1.77698 -115.50726 362.62903
8340.0000 -117.73836 -115.51097 2.22740 1.80404 -115.15492 384.13061
8345.0000 -118.05941 -116.02623 2.03317 1.77620 -115.51740 374.55470
8350.0000 -118.01321 -116.22112 1.79210 1.72030 -116.24539 314.64037
8355.0000 -117.88743 -115.74487 2.14256 1.74149 -115.96947 333.73531
8360.0000 -118.06204 -115.96803 2.09401 1.73824 -116.01176 333.46517
8365.0000 -117.90625 -115.81502 2.09123 1.74275 -115.95303 339.47213
8370.0000 -118.38524 -116.76897 1.61627 1.70330 -116.46691 293.48800
8375.0000 -118.40938 -115.85833 2.55105 1.70599 -116.43176 292.45402
8380.0000 -118.21653 -116.09920 2.11733 1.74159 -115.96817 338.65926
8385.0000 -118.09189 -116.18633 1.90555 1.72649 -116.16489 318.45627
8390.0000 -117.93797 -115.96554 1.97243 1.74164 -115.96755 329.53834
8395.0000 -117.92545 -115.85268 2.07277 1.73750 -116.02144 323.37596
8400.0000 -117.79943 -115.85381 1.94562 1.75604 -115.78003 342.61716
8405.0000 -117.76421 -115.79765 1.96656 1.73984 -115.99096 327.99876
8410.0000 -117.86252 -116.19475 1.66776 1.74104 -115.97538 333.14369
8415.0000 -118.05227 -116.25929 1.79298 1.71672 -116.29211 296.76459
8420.0000 -117.87999 -115.35516 2.52483 1.77379 -115.54877 353.47403
8425.0000 -117.67154 -115.66012 2.01142 1.75854 -115.74748 340.54236
8430.0000 -117.95466 -115.89724 2.05742 1.76157 -115.70791 343.06122
8435.0000 -117.68580 -115.67024 2.01555 1.75148 -115.83939 335.98590
8440.0000 -117.99082 -115.95312 2.03769 1.76647 -115.64421 356.60422
8445.0000 -117.92452 -115.43818 2.48634 1.75941 -115.73606 343.96915
8450.0000 -117.78700 -115.63236 2.15464 1.77214 -115.57025 367.00898
8455.0000 -118.09016 -116.07999 2.01017 1.73324 -116.07687 328.29829
8460.0000 -117.88599 -116.16556 1.72043 1.72994 -116.11991 318.79413
8465.0000 -118.36488 -116.24889 2.11600 1.70360 -116.46292 292.82336
8470.0000 -117.94275 -115.59499 2.34777 1.75390 -115.80780 343.37419
8475.0000 -117.93454 -116.25265 1.68189 1.76398 -115.67656 356.24626
8480.0000 -118.03567 -116.00885 2.02682 1.72759 -116.15047 314.40332
8485.0000 -117.83629 -115.89188 1.94442 1.72902 -116.13189 320.15390
8490.0000 -117.74538 -115.61421 2.13118 1.77074 -115.58850 360.03083
8495.0000 -118.07568 -115.39006 2.68562 1.77786 -115.49579 364.39515
8500.0000 -117.87400 -116.04978 1.82422 1.74515 -115.92181 338.65836
FREEZING PROCESS: loop number 35 T-loop= 315.00000000000000
main_MD> interactions number 35 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.97187 -0.81507 0.65375
force_rgl> df(natom) -0.11962 1.37546 0.39270
8505.0000 -118.11307 -116.03028 2.08280 1.75261 -115.82465 346.88196
8510.0000 -118.40269 -116.45142 1.95127 1.71329 -116.33674 306.68807
8515.0000 -117.80599 -115.97699 1.82900 1.71532 -116.31029 311.38788
8520.0000 -118.25512 -116.42984 1.82528 1.71588 -116.30305 306.85620
8525.0000 -118.20158 -115.98212 2.21946 1.71834 -116.27097 308.88830
8530.0000 -118.24251 -116.52163 1.72088 1.72588 -116.17277 318.39925
8535.0000 -118.04414 -116.25581 1.78833 1.70228 -116.48015 297.04609
8540.0000 -117.81199 -115.99559 1.81640 1.72969 -116.12320 319.94924
8545.0000 -118.22552 -116.21854 2.00698 1.74006 -115.98808 334.01769
8550.0000 -118.25164 -116.71707 1.53457 1.71484 -116.31653 307.82370
8555.0000 -118.39016 -116.40245 1.98771 1.70438 -116.45285 297.66442
8560.0000 -118.28524 -116.33416 1.95109 1.70906 -116.39185 302.05854
8565.0000 -117.79567 -115.94330 1.85237 1.72185 -116.22524 315.42855
8570.0000 -117.81038 -116.27831 1.53207 1.71938 -116.25739 309.10927
8575.0000 -118.42015 -116.39832 2.02184 1.70647 -116.42557 306.42998
8580.0000 -117.99154 -116.28955 1.70199 1.72321 -116.20762 312.21010
8585.0000 -118.26715 -116.60642 1.66074 1.70802 -116.40544 295.59147
8590.0000 -118.25777 -116.65979 1.59799 1.68537 -116.70041 278.47518
8595.0000 -118.17208 -116.12842 2.04366 1.72224 -116.22022 314.23091
8600.0000 -117.98180 -115.91003 2.07177 1.73504 -116.05349 327.23629
8605.0000 -118.04282 -115.92433 2.11849 1.75167 -115.83686 337.92526
8610.0000 -117.69003 -116.15438 1.53565 1.73876 -116.00505 322.33808
8615.0000 -118.24538 -116.11731 2.12807 1.71644 -116.29578 307.26125
8620.0000 -118.30294 -116.47261 1.83033 1.71622 -116.29855 309.42628
8625.0000 -118.20112 -116.50405 1.69707 1.71249 -116.34721 301.17257
8630.0000 -118.06758 -116.29929 1.76830 1.70678 -116.42148 303.76584
8635.0000 -118.03363 -116.16667 1.86696 1.74379 -115.93948 335.79244
8640.0000 -118.02131 -115.86958 2.15173 1.73812 -116.01338 326.85748
8645.0000 -118.06149 -116.02142 2.04007 1.73409 -116.06587 320.29441
8650.0000 -118.24429 -116.61963 1.62466 1.71851 -116.26877 312.93145
8655.0000 -117.71171 -115.77037 1.94134 1.71542 -116.30899 304.99481
8660.0000 -118.24537 -116.47698 1.76838 1.74019 -115.98642 321.19750
8665.0000 -118.04885 -116.28056 1.76829 1.71517 -116.31221 299.59884
8670.0000 -118.32657 -116.56280 1.76377 1.70891 -116.39385 302.20676
8675.0000 -118.10219 -116.55477 1.54741 1.69571 -116.56569 294.24707
8680.0000 -117.71753 -115.64440 2.07314 1.74000 -115.98885 332.84880
8685.0000 -118.01460 -116.34680 1.66779 1.74606 -115.90999 341.88295
8690.0000 -118.12793 -116.37718 1.75075 1.71208 -116.35249 306.35557
8695.0000 -118.30547 -116.49358 1.81188 1.70279 -116.47354 295.81981
8700.0000 -118.27745 -116.51659 1.76086 1.71168 -116.35770 303.90317
8705.0000 -118.26474 -116.35523 1.90951 1.70638 -116.42673 301.29405
8710.0000 -117.88378 -116.04710 1.83668 1.71265 -116.34509 304.95826
8715.0000 -118.15175 -116.27975 1.87200 1.74946 -115.86571 340.53629
8720.0000 -118.33186 -116.77318 1.55868 1.70733 -116.41443 303.35571
8725.0000 -118.43187 -116.39300 2.03887 1.71133 -116.36223 305.61681
8730.0000 -118.08447 -116.22596 1.85851 1.72821 -116.14239 317.38334
8735.0000 -118.09551 -116.34772 1.74779 1.71774 -116.27886 300.53276
8740.0000 -118.05064 -116.05276 1.99788 1.70748 -116.41244 301.06670
8745.0000 -118.14846 -116.31255 1.83591 1.72364 -116.20195 318.45442
8750.0000 -117.81349 -116.00546 1.80803 1.71830 -116.27151 302.03839
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 53.0606228 [s].
main_MD> Deallocating global variables
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