tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_45/freeze.log

1814 lines
179 KiB
Plaintext
Raw Blame History

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_45.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 = 45 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 45 4500
main_MD> Size of nv and nvoiz: 45 4500
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 = 45
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> -2.3556899085195464E-002 -1.5389841792329642E-002 -1.8307564980560187E-003 initial drift of cluster / NP1 for coalescence
init> 0.31363215629176600 0.31665720142759268 0.29931612213189601 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5931191973533325E-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) 3.62171 1.55095 -0.51789
force_rgl> df(natom) 1.22757 4.22975 4.00410
preparo> THERMALIZATION PROCESS AT 1117.5089772019212
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -96.323476595400791 8.3196810433988642 -104.64315763879965 6.2066247099591655E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1095.0000000000000
main_MD> interactions number 1 at Temperature= 1095.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.03672 2.44080 1.83766
force_rgl> df(natom) 1.56600 -1.24814 3.08256
5.0000 -104.41771 -96.87927 7.53844 2.87716 -96.34958 1219.39958
10.0000 -103.27720 -95.79620 7.48099 2.86029 -96.56302 1193.11840
15.0000 -103.96177 -98.42970 5.53207 2.84041 -96.81454 1191.85856
20.0000 -104.13602 -97.05544 7.08059 2.71511 -98.39987 1079.21300
25.0000 -104.34146 -96.92358 7.41788 2.86877 -96.45580 1222.24179
30.0000 -103.42504 -96.40983 7.01521 2.87228 -96.41133 1192.16494
35.0000 -104.80926 -97.15655 7.65270 2.82601 -96.99679 1148.24768
40.0000 -105.21319 -96.75609 8.45710 2.89877 -96.07627 1219.20171
45.0000 -104.18984 -97.53345 6.65639 2.81656 -97.11638 1177.95377
50.0000 -105.82916 -98.29835 7.53080 2.76881 -97.72047 1086.39071
55.0000 -105.21871 -99.93942 5.27929 2.64733 -99.25735 1056.84178
60.0000 -103.91565 -97.38688 6.52877 2.67468 -98.91129 1067.25520
65.0000 -102.99522 -96.34834 6.64687 2.80240 -97.29550 1148.72369
70.0000 -102.82649 -96.56908 6.25742 2.87834 -96.33472 1154.67664
75.0000 -104.73292 -98.27620 6.45673 2.79005 -97.45166 1141.65153
80.0000 -104.68668 -98.79418 5.89250 2.70399 -98.54045 1120.76684
85.0000 -104.17617 -96.60634 7.56983 2.80035 -97.32146 1121.47440
90.0000 -105.21712 -98.71311 6.50401 2.77680 -97.61933 1172.46441
95.0000 -104.99743 -99.41770 5.57973 2.66711 -99.00713 1029.05378
100.0000 -104.20873 -98.41316 5.79557 2.70259 -98.55827 1084.43811
105.0000 -103.67961 -96.72117 6.95844 2.79271 -97.41805 1138.27778
110.0000 -105.47911 -99.18017 6.29894 2.74555 -98.01473 1101.83790
115.0000 -103.92757 -97.39582 6.53174 2.78853 -97.47095 1153.10367
120.0000 -104.07004 -97.28280 6.78724 2.80860 -97.21707 1158.15808
125.0000 -105.11494 -99.04178 6.07316 2.74536 -98.01707 1079.29846
130.0000 -104.82406 -98.98242 5.84165 2.70225 -98.56247 1057.86493
135.0000 -105.43220 -97.73140 7.70080 2.68974 -98.72079 1084.45116
140.0000 -105.61102 -100.13585 5.47517 2.60426 -99.80224 1019.32974
145.0000 -105.86952 -98.11757 7.75195 2.68615 -98.76614 1038.34289
150.0000 -104.21606 -98.32850 5.88755 2.73660 -98.12793 1090.28108
155.0000 -106.00884 -98.49597 7.51288 2.67635 -98.89020 1038.83594
160.0000 -105.13224 -98.94755 6.18469 2.72500 -98.27467 1103.18376
165.0000 -104.13516 -98.08916 6.04599 2.70958 -98.46973 1066.67481
170.0000 -105.91645 -100.83367 5.08278 2.66184 -99.07371 1044.19636
175.0000 -105.57826 -99.30299 6.27527 2.59068 -99.97410 1018.06654
180.0000 -103.62777 -96.96406 6.66371 2.72214 -98.31088 1106.19867
185.0000 -105.17564 -97.61580 7.55984 2.77574 -97.63273 1178.64521
190.0000 -103.73081 -96.95940 6.77141 2.86997 -96.44063 1248.78621
195.0000 -104.12091 -97.76810 6.35281 2.72589 -98.26338 1066.17610
200.0000 -102.20930 -95.16021 7.04909 2.83723 -96.85478 1203.74395
205.0000 -105.03223 -98.27174 6.76049 2.87287 -96.40391 1193.97724
210.0000 -104.85891 -97.93340 6.92551 2.73756 -98.11574 1104.36378
215.0000 -102.89106 -96.70622 6.18484 2.72852 -98.23013 1100.91126
220.0000 -106.45375 -100.12189 6.33186 2.68919 -98.72773 1077.39865
225.0000 -106.61551 -98.77799 7.83752 2.59641 -99.90159 1015.77250
230.0000 -105.24809 -97.32849 7.91960 2.64552 -99.28024 1027.63599
235.0000 -104.93117 -98.25221 6.67896 2.73559 -98.14076 1124.59121
240.0000 -103.85946 -98.41930 5.44016 2.78682 -97.49264 1140.54387
245.0000 -105.42438 -100.66043 4.76396 2.57145 -100.21726 975.59335
250.0000 -106.07929 -98.08679 7.99249 2.60712 -99.76600 1006.16030
FREEZING PROCESS: loop number 2 T-loop= 1070.0000000000000
main_MD> interactions number 2 at Temperature= 1070.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23841 0.35485 0.11379
force_rgl> df(natom) 0.52854 0.63998 -0.55813
255.0000 -103.38184 -96.78405 6.59779 2.76582 -97.75820 1155.83198
260.0000 -105.67137 -99.09699 6.57437 2.77498 -97.64233 1112.96832
265.0000 -105.39061 -99.73422 5.65640 2.70008 -98.59000 1067.74916
270.0000 -105.51088 -98.55284 6.95804 2.69079 -98.70748 1081.78652
275.0000 -104.99909 -98.88078 6.11831 2.71472 -98.40469 1025.49942
280.0000 -105.14725 -99.08151 6.06574 2.62093 -99.59138 984.63246
285.0000 -104.85466 -97.84292 7.01173 2.74695 -97.99700 1104.44472
290.0000 -103.52767 -98.44035 5.08732 2.70173 -98.56913 1067.88397
295.0000 -103.63831 -97.58436 6.05395 2.70157 -98.57116 1046.20969
300.0000 -105.66677 -99.06056 6.60621 2.73285 -98.17533 1150.35941
305.0000 -105.38993 -99.07846 6.31147 2.60228 -99.82732 955.58028
310.0000 -104.82384 -98.47258 6.35126 2.67180 -98.94779 1037.95266
315.0000 -104.47836 -98.22588 6.25248 2.72888 -98.22566 1099.23876
320.0000 -105.82440 -100.44500 5.37940 2.57812 -100.13288 962.02002
325.0000 -106.08702 -99.43613 6.65089 2.64670 -99.26529 1006.78627
330.0000 -104.22415 -98.66693 5.55722 2.65508 -99.15926 1006.83248
335.0000 -105.44868 -99.85560 5.59308 2.71301 -98.42638 1076.67620
340.0000 -104.75436 -99.17634 5.57802 2.64332 -99.30801 1031.44318
345.0000 -104.65027 -99.75288 4.89739 2.62639 -99.52227 1013.36810
350.0000 -103.08167 -97.57986 5.50181 2.70064 -98.58289 1043.84350
355.0000 -103.58476 -97.49510 6.08966 2.79713 -97.36212 1150.21965
360.0000 -102.94079 -97.14481 5.79598 2.80311 -97.28644 1163.87570
365.0000 -105.89520 -99.28788 6.60732 2.72303 -98.29966 1110.70080
370.0000 -105.94509 -100.09783 5.84726 2.65397 -99.17335 1053.43803
375.0000 -106.78446 -100.21842 6.56604 2.59211 -99.95592 1001.80930
380.0000 -105.04362 -99.54538 5.49824 2.60668 -99.77165 986.12901
385.0000 -105.95301 -100.36415 5.58887 2.61999 -99.60326 1003.77540
390.0000 -104.96240 -100.67999 4.28241 2.62675 -99.51764 988.64720
395.0000 -103.36996 -98.32603 5.04393 2.66100 -99.08442 1053.70152
400.0000 -105.60261 -99.83775 5.76486 2.65918 -99.10737 1020.69458
405.0000 -105.64789 -99.23790 6.40999 2.58076 -100.09954 998.57709
410.0000 -102.05412 -95.73222 6.32190 2.75561 -97.88737 1105.62160
415.0000 -103.61648 -95.90758 7.70890 2.97237 -95.14514 1292.16236
420.0000 -104.78605 -98.63526 6.15079 2.80338 -97.28305 1192.11436
425.0000 -105.70007 -99.37201 6.32806 2.62470 -99.54362 1007.13195
430.0000 -104.41121 -99.16995 5.24125 2.65046 -99.21768 1059.91057
435.0000 -104.35688 -98.71981 5.63707 2.72642 -98.25671 1079.00495
440.0000 -104.43717 -97.43827 6.99890 2.75434 -97.90344 1076.21588
445.0000 -105.61886 -99.65529 5.96356 2.70659 -98.50755 1055.76023
450.0000 -104.18149 -98.23991 5.94158 2.71956 -98.34351 1091.54535
455.0000 -105.56560 -100.43755 5.12805 2.65576 -99.15062 1056.42860
460.0000 -106.46367 -99.81931 6.64436 2.61412 -99.67754 1071.75326
465.0000 -104.81251 -98.92824 5.88427 2.61549 -99.66014 1024.92096
470.0000 -104.77070 -98.98191 5.78878 2.61666 -99.64539 993.82240
475.0000 -105.92019 -99.40996 6.51023 2.63782 -99.37764 1006.23661
480.0000 -105.01691 -98.54223 6.47468 2.70348 -98.54693 1070.66577
485.0000 -105.97440 -99.60416 6.37024 2.71530 -98.39740 1091.01196
490.0000 -104.51503 -97.64670 6.86833 2.60007 -99.85530 1034.12605
495.0000 -106.06574 -99.74664 6.31910 2.57912 -100.12031 976.68329
500.0000 -106.09462 -99.98462 6.11000 2.62604 -99.52665 1049.54032
FREEZING PROCESS: loop number 3 T-loop= 1045.0000000000000
main_MD> interactions number 3 at Temperature= 1045.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.31079 2.56287 2.93004
force_rgl> df(natom) -1.30261 -0.16787 -0.33131
505.0000 -106.76689 -100.26543 6.50147 2.51369 -100.94813 952.30186
510.0000 -106.91235 -100.81244 6.09990 2.54331 -100.57338 959.87882
515.0000 -103.68957 -97.24507 6.44450 2.66894 -98.98400 1052.43068
520.0000 -105.37450 -99.06720 6.30730 2.72990 -98.21266 1103.93526
525.0000 -104.93188 -99.38363 5.54825 2.63273 -99.44205 1031.53598
530.0000 -105.84107 -101.06931 4.77175 2.63618 -99.39844 1000.55881
535.0000 -106.58683 -99.78906 6.79777 2.53439 -100.68623 949.85098
540.0000 -103.92485 -99.45222 4.47263 2.55490 -100.42667 961.38247
545.0000 -106.04838 -100.30443 5.74396 2.56826 -100.25773 976.03923
550.0000 -106.16600 -101.17851 4.98749 2.49833 -101.14244 885.13316
555.0000 -106.37331 -100.95785 5.41546 2.48747 -101.27980 892.97936
560.0000 -105.63330 -100.86907 4.76423 2.50554 -101.05115 916.26886
565.0000 -104.69252 -98.50525 6.18728 2.59105 -99.96934 957.42489
570.0000 -106.39106 -100.56109 5.82997 2.64638 -99.26940 1033.56580
575.0000 -106.45155 -101.73257 4.71898 2.50386 -101.07248 930.45013
580.0000 -104.02132 -98.62114 5.40018 2.58486 -100.04761 994.81016
585.0000 -105.67224 -100.06516 5.60708 2.59491 -99.92053 1018.61867
590.0000 -104.29728 -98.41041 5.88687 2.61746 -99.63523 979.57917
595.0000 -104.74666 -97.47014 7.27652 2.82849 -96.96536 1196.00110
600.0000 -106.47061 -100.45453 6.01608 2.67968 -98.84808 1059.28363
605.0000 -105.84403 -100.69352 5.15051 2.55429 -100.43436 943.87910
610.0000 -105.72685 -99.46786 6.25899 2.56662 -100.27844 966.51323
615.0000 -105.08640 -99.54184 5.54456 2.60773 -99.75838 1002.64334
620.0000 -105.20998 -98.76725 6.44272 2.63929 -99.35900 1037.49028
625.0000 -106.67297 -100.91847 5.75449 2.60260 -99.82328 985.93050
630.0000 -104.99563 -100.05625 4.93937 2.53363 -100.69580 959.45421
635.0000 -106.40166 -99.52748 6.87419 2.61410 -99.67771 1033.76252
640.0000 -105.89855 -99.23466 6.66389 2.63719 -99.38558 1020.74351
645.0000 -105.48223 -99.96633 5.51590 2.63572 -99.40416 1033.83395
650.0000 -104.67463 -98.11676 6.55788 2.64684 -99.26351 1059.79343
655.0000 -105.40856 -98.66558 6.74297 2.70492 -98.52871 1069.57789
660.0000 -105.36721 -98.91101 6.45620 2.63651 -99.39421 1046.10645
665.0000 -105.12825 -98.67739 6.45086 2.66570 -99.02487 1023.84333
670.0000 -106.10936 -101.07413 5.03523 2.57594 -100.16049 974.97867
675.0000 -105.30440 -100.11833 5.18607 2.56858 -100.25359 953.02702
680.0000 -105.37174 -97.56494 7.80680 2.71241 -98.43395 1028.80870
685.0000 -105.92864 -100.30922 5.61941 2.60995 -99.73029 995.79528
690.0000 -105.46509 -100.72407 4.74101 2.59919 -99.86640 1033.57248
695.0000 -106.67774 -100.10055 6.57719 2.52686 -100.78150 939.25420
700.0000 -105.74613 -99.37609 6.37005 2.57512 -100.17093 988.78955
705.0000 -105.58592 -98.08316 7.50277 2.65010 -99.22227 1041.55371
710.0000 -105.77401 -98.87827 6.89574 2.67722 -98.87923 1033.26279
715.0000 -104.96647 -99.30460 5.66187 2.64027 -99.34664 1027.50216
720.0000 -104.98192 -98.06866 6.91327 2.63786 -99.37720 1046.27379
725.0000 -105.65533 -99.53932 6.11601 2.67904 -98.85613 1048.07740
730.0000 -105.53428 -100.47397 5.06032 2.60573 -99.78366 994.09114
735.0000 -103.97519 -99.43695 4.53824 2.60430 -99.80166 1013.74349
740.0000 -103.62768 -96.91722 6.71045 2.73632 -98.13153 1112.03422
745.0000 -102.60365 -96.09485 6.50881 2.89448 -96.13046 1234.15122
750.0000 -106.69532 -100.33819 6.35713 2.72563 -98.26676 1090.49007
FREEZING PROCESS: loop number 4 T-loop= 1020.0000000000000
main_MD> interactions number 4 at Temperature= 1020.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72259 0.96008 0.82741
force_rgl> df(natom) 5.07349 2.29520 2.48749
755.0000 -104.75212 -99.80217 4.94995 2.58092 -100.09755 985.57996
760.0000 -106.01264 -100.34205 5.67059 2.60953 -99.73552 946.82508
765.0000 -105.21074 -98.13731 7.07343 2.61056 -99.72247 962.43735
770.0000 -106.42098 -100.09132 6.32966 2.67195 -98.94591 1035.38854
775.0000 -105.02586 -99.40104 5.62483 2.55433 -100.43386 961.47477
780.0000 -105.41431 -99.24529 6.16902 2.60832 -99.75087 1022.13100
785.0000 -106.18795 -100.94949 5.23846 2.65185 -99.20011 1005.91101
790.0000 -106.73388 -100.06261 6.67128 2.59478 -99.92215 1023.98018
795.0000 -105.61444 -100.02618 5.58826 2.61595 -99.65439 1016.26917
800.0000 -106.97704 -101.32686 5.65018 2.55234 -100.45905 973.25263
805.0000 -107.02296 -100.01518 7.00778 2.61000 -99.72962 1006.51874
810.0000 -104.98898 -98.97284 6.01614 2.63675 -99.39118 1059.00374
815.0000 -104.74710 -98.23612 6.51098 2.63557 -99.40613 1021.97738
820.0000 -104.90539 -98.99197 5.91342 2.70325 -98.54992 1072.04732
825.0000 -105.18265 -99.17019 6.01246 2.62043 -99.59762 1049.06529
830.0000 -105.24666 -99.24130 6.00536 2.64938 -99.23135 1018.05415
835.0000 -104.73648 -98.87375 5.86273 2.65418 -99.17072 1077.12567
840.0000 -104.39586 -99.02372 5.37214 2.57223 -100.20740 951.79876
845.0000 -105.77484 -99.57256 6.20228 2.69048 -98.71147 1041.23164
850.0000 -104.49718 -98.95803 5.53915 2.53540 -100.67340 972.94150
855.0000 -105.37659 -99.93548 5.44111 2.67688 -98.88346 1063.85693
860.0000 -106.25702 -100.13585 6.12117 2.59986 -99.85785 983.30922
865.0000 -105.89466 -99.56679 6.32787 2.60575 -99.78343 996.86222
870.0000 -105.11656 -100.47545 4.64111 2.59738 -99.88930 978.88260
875.0000 -106.77779 -100.39663 6.38116 2.56183 -100.33905 975.63561
880.0000 -105.65058 -100.51302 5.13756 2.53513 -100.67683 929.87564
885.0000 -105.76038 -100.02645 5.73393 2.54317 -100.57505 949.77040
890.0000 -105.92579 -100.55621 5.36958 2.55396 -100.43857 967.49422
895.0000 -104.80057 -99.02621 5.77436 2.54089 -100.60399 967.98752
900.0000 -105.65309 -97.79855 7.85454 2.64538 -99.28195 1039.70054
905.0000 -104.71361 -97.85673 6.85688 2.71796 -98.36372 1110.64367
910.0000 -105.75909 -99.59047 6.16862 2.67222 -98.94246 1061.00708
915.0000 -104.74445 -99.21793 5.52652 2.68163 -98.82343 1051.79252
920.0000 -106.74438 -100.46720 6.27718 2.61288 -99.69312 1013.35380
925.0000 -105.54873 -99.39329 6.15544 2.53504 -100.67794 970.02674
930.0000 -104.69232 -98.21517 6.47715 2.68524 -98.77771 1099.94594
935.0000 -103.31890 -98.09399 5.22491 2.75693 -97.87067 1111.71934
940.0000 -104.13730 -97.47836 6.65894 2.77387 -97.65642 1099.50002
945.0000 -103.55138 -98.83567 4.71571 2.71832 -98.35925 1070.46135
950.0000 -105.75779 -99.00406 6.75373 2.63867 -99.36684 1024.58715
955.0000 -105.37307 -99.44186 5.93121 2.61238 -99.69947 984.39907
960.0000 -106.01791 -100.29975 5.71817 2.59550 -99.91300 1009.52315
965.0000 -106.30698 -100.77234 5.53464 2.56269 -100.32817 932.87520
970.0000 -105.03159 -99.53791 5.49368 2.64190 -99.32600 1066.42378
975.0000 -104.73592 -99.32123 5.41469 2.64258 -99.31742 994.99680
980.0000 -104.69195 -97.48656 7.20538 2.63384 -99.42800 1003.46986
985.0000 -104.15678 -99.37787 4.77891 2.65515 -99.15844 1056.33252
990.0000 -106.15942 -100.41966 5.73976 2.70825 -98.48658 1130.25059
995.0000 -104.11438 -96.94589 7.16850 2.73502 -98.14797 1098.11477
1000.0000 -106.35598 -100.43375 5.92224 2.64000 -99.35003 1051.32739
FREEZING PROCESS: loop number 5 T-loop= 995.00000000000000
main_MD> interactions number 5 at Temperature= 995.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69769 -4.19168 1.78843
force_rgl> df(natom) 1.75760 2.45368 -0.47598
1005.0000 -106.50068 -100.33150 6.16918 2.55014 -100.48690 950.29181
1010.0000 -107.10280 -101.25341 5.84939 2.51233 -100.96532 941.07081
1015.0000 -106.11317 -99.93665 6.17651 2.52589 -100.79370 941.75207
1020.0000 -105.33518 -99.23799 6.09719 2.62286 -99.56685 1008.87140
1025.0000 -106.70867 -100.48596 6.22271 2.63379 -99.42867 1008.97606
1030.0000 -105.32805 -99.43885 5.88921 2.54778 -100.51681 943.20056
1035.0000 -105.84799 -99.23889 6.60910 2.63340 -99.43355 1035.82430
1040.0000 -105.76087 -99.76802 5.99286 2.63749 -99.38186 1016.70325
1045.0000 -107.07774 -101.39031 5.68743 2.57094 -100.22375 956.08893
1050.0000 -106.33607 -100.25169 6.08438 2.57723 -100.14420 916.13357
1055.0000 -105.66648 -98.53733 7.12915 2.61369 -99.68292 1014.72993
1060.0000 -106.32909 -100.25305 6.07603 2.58672 -100.02415 989.23065
1065.0000 -105.29149 -99.01803 6.27346 2.64497 -99.28725 1048.73774
1070.0000 -106.34269 -100.05670 6.28598 2.61918 -99.61345 984.66514
1075.0000 -106.06489 -101.02879 5.03610 2.58251 -100.07742 983.71066
1080.0000 -106.67608 -100.52411 6.15198 2.52984 -100.74370 923.39819
1085.0000 -106.76171 -100.89627 5.86544 2.53500 -100.67848 925.94366
1090.0000 -106.21233 -99.99282 6.21950 2.51631 -100.91495 923.84993
1095.0000 -107.66486 -102.23487 5.42999 2.51355 -100.94980 952.83194
1100.0000 -106.22936 -101.36541 4.86394 2.46376 -101.57972 905.64465
1105.0000 -105.44062 -100.28279 5.15783 2.55494 -100.42615 971.58123
1110.0000 -105.37492 -100.60791 4.76700 2.54121 -100.59993 929.45430
1115.0000 -105.77745 -101.08231 4.69514 2.55526 -100.42213 946.36126
1120.0000 -105.86126 -99.71597 6.14529 2.61044 -99.72408 995.29174
1125.0000 -105.46358 -100.16597 5.29761 2.59185 -99.95922 975.96058
1130.0000 -105.03314 -98.71923 6.31391 2.60083 -99.84560 983.21125
1135.0000 -105.26631 -99.58929 5.67702 2.64464 -99.29131 1034.99354
1140.0000 -102.97004 -98.05406 4.91598 2.68854 -98.73594 1023.85022
1145.0000 -102.84047 -95.30384 7.53664 2.85976 -96.56972 1206.25970
1150.0000 -103.95334 -96.81201 7.14133 2.91024 -95.93116 1234.17817
1155.0000 -104.94503 -98.70854 6.23648 2.75015 -97.95656 1161.50164
1160.0000 -107.18908 -101.67883 5.51025 2.52861 -100.75927 976.64941
1165.0000 -104.58851 -100.60921 3.97929 2.49861 -101.13880 918.02349
1170.0000 -105.15484 -98.01454 7.14030 2.69345 -98.67379 1064.50440
1175.0000 -104.45963 -99.27905 5.18057 2.72556 -98.26755 1082.43542
1180.0000 -104.53497 -98.59562 5.93935 2.71480 -98.40367 1069.21571
1185.0000 -104.97857 -98.60116 6.37741 2.75669 -97.87372 1124.96692
1190.0000 -106.10742 -100.76354 5.34388 2.62965 -99.48097 985.74983
1195.0000 -107.34657 -102.68236 4.66421 2.46541 -101.55887 883.58528
1200.0000 -105.66805 -99.50463 6.16342 2.50884 -101.00949 952.49570
1205.0000 -105.39321 -99.80228 5.59093 2.58680 -100.02309 1012.63956
1210.0000 -104.93653 -99.09022 5.84631 2.67502 -98.90701 1014.83614
1215.0000 -105.73639 -99.38200 6.35439 2.58293 -100.07210 998.22920
1220.0000 -106.05355 -100.06547 5.98808 2.59079 -99.97260 989.99505
1225.0000 -106.02499 -101.65595 4.36905 2.53434 -100.68686 975.03087
1230.0000 -107.51735 -100.58849 6.92886 2.51333 -100.95258 975.62822
1235.0000 -105.79572 -100.81114 4.98458 2.57601 -100.15960 970.51226
1240.0000 -105.08379 -98.40717 6.67662 2.63928 -99.35921 1026.58615
1245.0000 -105.31840 -100.48419 4.83421 2.63702 -99.38781 1031.99762
1250.0000 -104.70936 -99.23685 5.47252 2.58567 -100.03737 957.13841
FREEZING PROCESS: loop number 6 T-loop= 970.00000000000000
main_MD> interactions number 6 at Temperature= 970.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89630 -0.17004 -1.68838
force_rgl> df(natom) -2.05506 -0.38316 1.23245
1255.0000 -106.32582 -100.23811 6.08771 2.52990 -100.74294 935.77030
1260.0000 -106.55858 -98.98404 7.57454 2.60538 -99.78811 991.35602
1265.0000 -105.70524 -98.94331 6.76193 2.68703 -98.75512 1076.47719
1270.0000 -104.96550 -99.45118 5.51433 2.66398 -99.04674 1008.34134
1275.0000 -106.06906 -100.23725 5.83181 2.60397 -99.80590 979.34153
1280.0000 -106.33664 -100.98915 5.34749 2.50297 -101.08368 910.13891
1285.0000 -106.24819 -99.29665 6.95154 2.50339 -101.07844 911.08070
1290.0000 -105.69222 -98.26244 7.42978 2.70560 -98.52014 1093.65688
1295.0000 -106.23507 -100.39557 5.83950 2.56567 -100.29049 974.02229
1300.0000 -106.23589 -100.17619 6.05969 2.59007 -99.98172 993.56755
1305.0000 -105.56204 -99.57020 5.99185 2.60471 -99.79656 1014.09085
1310.0000 -106.08000 -101.23938 4.84062 2.57654 -100.15288 967.31118
1315.0000 -105.02835 -98.87447 6.15389 2.54597 -100.53968 969.85013
1320.0000 -105.42585 -98.76620 6.65965 2.70579 -98.51770 1062.42436
1325.0000 -103.36012 -97.17537 6.18475 2.82070 -97.06399 1113.96971
1330.0000 -103.35431 -97.92962 5.42469 2.79668 -97.36781 1128.91580
1335.0000 -105.41407 -99.09558 6.31849 2.68517 -98.77855 1051.59880
1340.0000 -106.67744 -100.94682 5.73062 2.57158 -100.21571 974.43876
1345.0000 -105.05206 -101.01822 4.03385 2.46778 -101.52892 899.20480
1350.0000 -106.02878 -100.86843 5.16035 2.51814 -100.89177 893.85735
1355.0000 -106.72632 -101.02985 5.69647 2.49293 -101.21074 867.54504
1360.0000 -105.28097 -100.94988 4.33109 2.53055 -100.73481 905.33989
1365.0000 -105.74606 -100.68693 5.05913 2.54212 -100.58844 967.69797
1370.0000 -106.31586 -101.04995 5.26591 2.48053 -101.36755 885.39063
1375.0000 -107.20558 -101.00518 6.20040 2.51942 -100.87556 921.72661
1380.0000 -105.62995 -99.98000 5.64995 2.52434 -100.81332 982.92173
1385.0000 -107.46573 -101.28610 6.17962 2.53667 -100.65737 935.08951
1390.0000 -107.14463 -100.85844 6.28619 2.51668 -100.91026 960.09459
1395.0000 -105.74711 -99.89090 5.85621 2.56794 -100.26179 972.70281
1400.0000 -105.98708 -99.47068 6.51640 2.57477 -100.17536 950.51480
1405.0000 -104.47986 -98.21523 6.26463 2.70039 -98.58606 1114.39216
1410.0000 -106.56497 -100.61015 5.95482 2.64647 -99.26816 1033.25419
1415.0000 -104.86510 -99.57694 5.28816 2.58962 -99.98741 973.42997
1420.0000 -106.10285 -100.99124 5.11161 2.49510 -101.18326 919.87822
1425.0000 -107.83737 -101.96522 5.87215 2.46219 -101.59958 891.72147
1430.0000 -106.86494 -100.52586 6.33909 2.47036 -101.49629 906.97385
1435.0000 -105.25314 -99.92670 5.32644 2.62551 -99.53338 1008.86416
1440.0000 -104.76024 -99.39222 5.36802 2.64105 -99.33681 1024.69444
1445.0000 -104.90045 -97.94226 6.95818 2.72513 -98.27308 1099.43719
1450.0000 -103.09027 -94.96305 8.12721 2.87136 -96.42305 1209.84716
1455.0000 -105.74922 -99.69195 6.05727 2.77117 -97.69055 1133.17731
1460.0000 -105.63760 -99.07248 6.56512 2.57993 -100.11009 935.37420
1465.0000 -106.63674 -100.03576 6.60099 2.61180 -99.70690 989.77810
1470.0000 -105.60043 -98.81400 6.78644 2.56396 -100.31204 990.35260
1475.0000 -103.62873 -97.97456 5.65417 2.69334 -98.67524 1035.47948
1480.0000 -105.65692 -98.50143 7.15549 2.74443 -98.02889 1076.40405
1485.0000 -106.58032 -100.06765 6.51267 2.58516 -100.04385 983.23086
1490.0000 -105.44284 -100.66289 4.77995 2.61414 -99.67724 988.10254
1495.0000 -105.86822 -99.84542 6.02281 2.47612 -101.42341 845.58478
1500.0000 -105.53335 -100.31324 5.22011 2.56131 -100.34555 989.11221
FREEZING PROCESS: loop number 7 T-loop= 945.00000000000000
main_MD> interactions number 7 at Temperature= 945.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.03520 4.95481 4.69157
force_rgl> df(natom) -0.93182 0.01197 2.11528
1505.0000 -106.68875 -99.78595 6.90280 2.60329 -99.81450 1024.72316
1510.0000 -104.50552 -99.21196 5.29355 2.62061 -99.59540 1025.08701
1515.0000 -105.57673 -99.88641 5.69032 2.61077 -99.71986 950.74375
1520.0000 -106.14784 -100.97629 5.17155 2.59055 -99.97568 1018.77095
1525.0000 -106.86553 -101.26773 5.59780 2.46103 -101.61436 929.95531
1530.0000 -104.79494 -98.22608 6.56886 2.56514 -100.29711 968.89678
1535.0000 -104.22107 -98.96180 5.25927 2.66164 -99.07632 1043.76149
1540.0000 -105.36315 -99.69789 5.66526 2.66010 -99.09583 1080.81732
1545.0000 -107.39794 -102.24401 5.15393 2.49286 -101.21167 911.98420
1550.0000 -105.97881 -100.24401 5.73481 2.52339 -100.82531 941.71595
1555.0000 -105.92053 -101.04931 4.87122 2.54733 -100.52247 956.17441
1560.0000 -107.15327 -101.91671 5.23656 2.41309 -102.22083 833.57891
1565.0000 -106.61931 -102.07499 4.54432 2.39315 -102.47308 880.24477
1570.0000 -106.73264 -101.48795 5.24468 2.47207 -101.47459 880.86200
1575.0000 -105.05858 -100.24136 4.81722 2.52210 -100.84170 927.49154
1580.0000 -105.00658 -99.67600 5.33058 2.50672 -101.03627 892.31548
1585.0000 -105.05956 -98.82701 6.23255 2.67602 -98.89434 1063.50669
1590.0000 -105.25989 -99.93512 5.32477 2.61599 -99.65383 972.47967
1595.0000 -107.42975 -100.94922 6.48052 2.56704 -100.27313 932.87000
1600.0000 -106.63933 -99.49964 7.13970 2.55686 -100.40185 952.87119
1605.0000 -106.44883 -100.36074 6.08809 2.58021 -100.10645 1006.64801
1610.0000 -107.25959 -101.64304 5.61656 2.53150 -100.72272 938.41627
1615.0000 -106.54023 -100.56755 5.97269 2.45910 -101.63871 855.49857
1620.0000 -104.76268 -98.64476 6.11793 2.63751 -99.38153 981.52780
1625.0000 -104.10538 -97.01461 7.09077 2.70909 -98.47603 1085.84636
1630.0000 -105.82975 -99.77445 6.05530 2.72726 -98.24605 1087.26991
1635.0000 -107.58545 -102.29332 5.29212 2.51443 -100.93867 930.15253
1640.0000 -106.42518 -101.34461 5.08057 2.44182 -101.85736 863.77982
1645.0000 -106.83355 -101.45114 5.38241 2.44435 -101.82535 872.59940
1650.0000 -107.57270 -102.38467 5.18803 2.43249 -101.97533 847.45302
1655.0000 -106.45999 -102.30997 4.15003 2.43910 -101.89179 812.72158
1660.0000 -107.41447 -102.10274 5.31172 2.43032 -102.00279 837.91870
1665.0000 -107.32964 -100.22607 7.10356 2.50850 -101.01369 928.69146
1670.0000 -106.79035 -101.65081 5.13954 2.48704 -101.28525 922.12591
1675.0000 -106.53939 -101.76737 4.77201 2.48792 -101.27414 902.20670
1680.0000 -105.05526 -100.21202 4.84324 2.53035 -100.73727 897.89190
1685.0000 -105.85426 -100.58328 5.27098 2.58839 -100.00305 959.35489
1690.0000 -104.65613 -99.83253 4.82360 2.62216 -99.57576 1001.18354
1695.0000 -106.71022 -101.31778 5.39244 2.51784 -100.89559 909.79557
1700.0000 -104.67034 -98.94900 5.72135 2.58958 -99.98796 1005.66079
1705.0000 -106.72770 -100.93641 5.79130 2.59661 -99.89899 1034.70658
1710.0000 -106.56609 -101.62957 4.93652 2.50202 -101.09577 907.21617
1715.0000 -106.22544 -100.31298 5.91246 2.49838 -101.14173 937.39591
1720.0000 -105.33144 -99.01555 6.31589 2.60508 -99.79191 976.55128
1725.0000 -106.60959 -100.43449 6.17510 2.61022 -99.72686 1005.50703
1730.0000 -106.04395 -101.50480 4.53915 2.48408 -101.32268 880.47043
1735.0000 -106.68870 -101.53796 5.15074 2.39260 -102.48008 812.73512
1740.0000 -107.03053 -101.74539 5.28514 2.46296 -101.58989 872.62938
1745.0000 -107.41267 -101.87901 5.53366 2.44694 -101.79252 897.04900
1750.0000 -107.87069 -101.40401 6.46668 2.46728 -101.53523 901.29719
FREEZING PROCESS: loop number 8 T-loop= 920.00000000000000
main_MD> interactions number 8 at Temperature= 920.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40824 -2.79763 -1.57342
force_rgl> df(natom) 0.31938 -1.74626 3.10442
1755.0000 -106.60792 -101.47499 5.13293 2.48656 -101.29131 950.61452
1760.0000 -107.27339 -102.55677 4.71662 2.53519 -100.67606 955.63646
1765.0000 -107.82117 -103.17185 4.64933 2.40553 -102.31644 865.93143
1770.0000 -107.94569 -102.91036 5.03533 2.35211 -102.99225 808.65497
1775.0000 -107.27896 -103.21656 4.06241 2.35219 -102.99132 789.13766
1780.0000 -106.40015 -102.45491 3.94525 2.36861 -102.78352 844.69984
1785.0000 -105.98233 -100.92113 5.06120 2.39066 -102.50456 848.35149
1790.0000 -105.89985 -100.41369 5.48616 2.51979 -100.87091 920.11783
1795.0000 -104.96746 -99.40255 5.56491 2.54608 -100.53828 942.00151
1800.0000 -106.29616 -100.66213 5.63403 2.57387 -100.18666 959.41820
1805.0000 -106.47647 -100.96330 5.51318 2.56464 -100.30347 945.40032
1810.0000 -104.96980 -98.16504 6.80476 2.61610 -99.65245 972.50872
1815.0000 -106.10277 -99.45309 6.64968 2.66663 -99.01315 1101.75339
1820.0000 -106.40694 -101.00185 5.40510 2.53656 -100.65870 967.71910
1825.0000 -106.36729 -100.76684 5.60046 2.55251 -100.45695 996.34051
1830.0000 -108.05708 -102.57722 5.47986 2.45826 -101.64941 909.85309
1835.0000 -108.18558 -103.24855 4.93703 2.34242 -103.11485 770.94046
1840.0000 -106.76216 -102.09446 4.66771 2.40137 -102.36914 848.84657
1845.0000 -107.26808 -102.41976 4.84832 2.41768 -102.16269 845.52235
1850.0000 -108.09986 -102.97083 5.12904 2.41713 -102.16970 839.55675
1855.0000 -107.02526 -102.28084 4.74443 2.36101 -102.87967 830.47227
1860.0000 -107.65626 -103.29025 4.36601 2.34618 -103.06730 793.80263
1865.0000 -106.95068 -102.57356 4.37712 2.34151 -103.12641 795.67980
1870.0000 -106.97910 -101.89161 5.08749 2.43546 -101.93778 866.33617
1875.0000 -106.79078 -102.60158 4.18920 2.34352 -103.10094 796.96421
1880.0000 -106.63583 -102.05118 4.58465 2.41062 -102.25202 844.92686
1885.0000 -106.35470 -100.94132 5.41338 2.50890 -101.00868 967.95432
1890.0000 -104.94766 -99.00115 5.94651 2.59603 -99.90632 996.18323
1895.0000 -105.98020 -99.40958 6.57062 2.59372 -99.93555 971.23232
1900.0000 -108.40261 -103.84390 4.55871 2.42727 -102.04139 849.07403
1905.0000 -107.38730 -103.28199 4.10531 2.34535 -103.07785 838.10963
1910.0000 -107.70063 -102.95557 4.74506 2.36907 -102.77770 822.34480
1915.0000 -106.26257 -100.97414 5.28843 2.46817 -101.52391 846.09282
1920.0000 -107.01630 -100.33685 6.67945 2.58384 -100.06054 981.69807
1925.0000 -106.46429 -100.31421 6.15008 2.49870 -101.13772 919.71104
1930.0000 -105.19149 -99.58036 5.61113 2.59936 -99.86428 996.44569
1935.0000 -105.41435 -99.38799 6.02636 2.60234 -99.82652 1007.53404
1940.0000 -104.21354 -97.85271 6.36083 2.62530 -99.53606 991.04619
1945.0000 -104.96230 -99.30084 5.66146 2.68296 -98.80656 1059.44015
1950.0000 -106.15489 -101.05015 5.10474 2.56535 -100.29452 1007.89499
1955.0000 -104.37306 -98.50133 5.87173 2.62141 -99.58527 1033.31745
1960.0000 -105.92217 -99.53564 6.38653 2.62702 -99.51431 996.51647
1965.0000 -106.17063 -100.41870 5.75194 2.61765 -99.63282 985.91000
1970.0000 -105.72580 -101.30060 4.42520 2.59964 -99.86065 1016.59063
1975.0000 -107.54357 -103.23431 4.30926 2.46195 -101.60273 908.05298
1980.0000 -105.16045 -100.10541 5.05504 2.45166 -101.73279 863.64012
1985.0000 -107.70675 -102.14020 5.56655 2.54011 -100.61380 967.35044
1990.0000 -107.17889 -101.83087 5.34802 2.42824 -102.02911 869.44423
1995.0000 -106.09342 -101.74470 4.34872 2.39286 -102.47671 826.07691
2000.0000 -106.43133 -100.70614 5.72519 2.47227 -101.47206 867.91193
FREEZING PROCESS: loop number 9 T-loop= 895.00000000000000
main_MD> interactions number 9 at Temperature= 895.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01862 1.81944 -2.73868
force_rgl> df(natom) -2.47616 3.68178 -1.52364
2005.0000 -106.28081 -100.92955 5.35126 2.52104 -100.85509 971.03747
2010.0000 -105.78426 -101.15142 4.63284 2.50114 -101.10691 877.79298
2015.0000 -106.48753 -101.15374 5.33379 2.52182 -100.84520 934.80488
2020.0000 -106.42644 -102.10640 4.32003 2.44883 -101.76865 888.79102
2025.0000 -106.73148 -101.14707 5.58440 2.42191 -102.10924 861.88602
2030.0000 -106.65159 -101.58553 5.06606 2.49541 -101.17940 907.89045
2035.0000 -106.35113 -101.72981 4.62132 2.45899 -101.64007 882.30943
2040.0000 -106.19829 -101.86973 4.32856 2.44918 -101.76422 896.48678
2045.0000 -105.31812 -99.48165 5.83647 2.52933 -100.75027 920.45107
2050.0000 -107.24539 -101.43222 5.81317 2.52797 -100.76735 959.39635
2055.0000 -105.58492 -100.02468 5.56024 2.52065 -100.86001 926.79328
2060.0000 -105.95392 -100.05784 5.89608 2.58702 -100.02035 960.86783
2065.0000 -105.85139 -100.41462 5.43677 2.56411 -100.31024 956.67470
2070.0000 -108.08313 -102.73984 5.34329 2.46616 -101.54943 897.09712
2075.0000 -107.51638 -103.35277 4.16361 2.35414 -102.96665 796.27264
2080.0000 -106.98970 -102.34589 4.64381 2.40273 -102.35183 857.46567
2085.0000 -107.30124 -101.42676 5.87448 2.43030 -102.00311 849.62133
2090.0000 -105.97013 -100.77733 5.19280 2.48677 -101.28865 919.17515
2095.0000 -108.04235 -103.06565 4.97670 2.40879 -102.27524 858.65554
2100.0000 -106.95926 -102.02258 4.93668 2.38488 -102.57768 842.74607
2105.0000 -106.22552 -100.75320 5.47233 2.49846 -101.14075 914.11217
2110.0000 -107.92387 -102.90498 5.01890 2.46445 -101.57099 905.27900
2115.0000 -106.20860 -100.97879 5.22981 2.48453 -101.31699 957.41397
2120.0000 -107.39409 -101.86363 5.53047 2.39335 -102.47052 823.05413
2125.0000 -106.58742 -101.49445 5.09296 2.46425 -101.57359 906.47356
2130.0000 -106.94090 -101.87709 5.06381 2.47995 -101.37494 929.17894
2135.0000 -105.34809 -100.21084 5.13726 2.46994 -101.50162 875.51524
2140.0000 -107.59268 -102.86634 4.72634 2.46809 -101.52505 893.44320
2145.0000 -106.42723 -101.83813 4.58909 2.38964 -102.51751 850.49602
2150.0000 -106.43755 -102.07302 4.36452 2.45576 -101.68097 908.72971
2155.0000 -107.80161 -102.77866 5.02295 2.37774 -102.66808 838.41497
2160.0000 -107.02746 -102.98740 4.04006 2.34760 -103.04942 828.42149
2165.0000 -107.14084 -102.06785 5.07299 2.40611 -102.30907 864.14677
2170.0000 -106.26769 -100.34845 5.91925 2.48487 -101.31273 893.21410
2175.0000 -105.70671 -100.70058 5.00613 2.60277 -99.82110 972.56196
2180.0000 -106.49654 -101.61338 4.88316 2.49577 -101.17484 918.00301
2185.0000 -107.75683 -101.05899 6.69785 2.53312 -100.70231 924.48075
2190.0000 -107.93782 -102.88988 5.04794 2.43581 -101.93343 897.09989
2195.0000 -106.89167 -102.03022 4.86146 2.38834 -102.53398 811.10996
2200.0000 -106.40510 -100.51524 5.88986 2.46567 -101.55555 904.63950
2205.0000 -105.44068 -101.27802 4.16266 2.48758 -101.27841 882.94794
2210.0000 -107.69323 -102.73340 4.95983 2.41587 -102.18565 812.18527
2215.0000 -105.86396 -100.77983 5.08413 2.39249 -102.48149 882.25886
2220.0000 -107.08876 -100.98803 6.10073 2.54149 -100.59635 963.64516
2225.0000 -106.03090 -101.00515 5.02575 2.47969 -101.37826 935.31686
2230.0000 -106.42813 -101.62608 4.80205 2.47268 -101.46688 913.25529
2235.0000 -107.66169 -103.18611 4.47558 2.36893 -102.77949 832.84692
2240.0000 -105.94242 -100.70442 5.23800 2.45374 -101.70656 867.56304
2245.0000 -106.14901 -99.96034 6.18868 2.53970 -100.61905 909.62676
2250.0000 -106.15428 -100.08678 6.06750 2.52854 -100.76015 880.62722
FREEZING PROCESS: loop number 10 T-loop= 870.00000000000000
main_MD> interactions number 10 at Temperature= 870.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.78152 -0.35556 2.86058
force_rgl> df(natom) 0.67596 -0.77438 1.68005
2255.0000 -106.13310 -100.32224 5.81086 2.57249 -100.20418 948.53952
2260.0000 -106.22952 -101.57580 4.65372 2.50657 -101.03810 915.54032
2265.0000 -106.99310 -102.44652 4.54658 2.39831 -102.40775 801.12071
2270.0000 -108.14526 -103.22665 4.91862 2.36421 -102.83920 823.22372
2275.0000 -105.68967 -100.86058 4.82909 2.46980 -101.50340 870.33596
2280.0000 -106.96880 -102.20950 4.75930 2.51272 -100.96029 888.90237
2285.0000 -106.07743 -100.37868 5.69875 2.50704 -101.03222 878.73979
2290.0000 -105.39475 -100.77782 4.61692 2.49742 -101.15387 924.16526
2295.0000 -107.20107 -102.51904 4.68203 2.43025 -102.00368 878.41533
2300.0000 -106.86294 -101.94189 4.92105 2.40748 -102.29175 844.91118
2305.0000 -106.40577 -100.59236 5.81341 2.47972 -101.37782 920.19062
2310.0000 -107.75165 -102.78862 4.96303 2.48760 -101.27812 933.46183
2315.0000 -107.47396 -102.63257 4.84139 2.36165 -102.87167 819.52504
2320.0000 -107.06284 -102.52173 4.54112 2.42332 -102.09142 833.98128
2325.0000 -108.55634 -104.18888 4.36746 2.36676 -102.80695 831.04699
2330.0000 -106.81523 -102.07815 4.73708 2.29482 -103.71715 756.05515
2335.0000 -107.48439 -102.38252 5.10187 2.40273 -102.35186 851.73943
2340.0000 -106.81067 -102.60130 4.20937 2.34369 -103.09877 779.51381
2345.0000 -107.45445 -102.18769 5.26676 2.39934 -102.39479 825.64023
2350.0000 -107.63729 -102.74883 4.88846 2.42225 -102.10493 854.47162
2355.0000 -106.74543 -102.07153 4.67390 2.37943 -102.64661 817.67788
2360.0000 -108.74880 -103.82350 4.92530 2.33897 -103.15861 825.01036
2365.0000 -106.98013 -102.65962 4.32052 2.30670 -103.56678 776.51376
2370.0000 -106.96734 -102.28602 4.68132 2.41077 -102.25023 837.49792
2375.0000 -108.18243 -103.31431 4.86812 2.36507 -102.82835 831.63968
2380.0000 -108.05014 -102.32767 5.72247 2.37842 -102.65940 839.47018
2385.0000 -107.87879 -102.91336 4.96543 2.34149 -103.12662 768.00900
2390.0000 -108.13586 -104.07287 4.06299 2.34557 -103.07501 813.78681
2395.0000 -107.46181 -102.51173 4.95008 2.32497 -103.33571 773.54266
2400.0000 -107.96771 -102.29733 5.67038 2.38077 -102.62970 856.02316
2405.0000 -106.42103 -101.55850 4.86254 2.36536 -102.82467 788.85860
2410.0000 -106.34695 -101.13168 5.21527 2.43554 -101.93676 869.06769
2415.0000 -106.49554 -101.33856 5.15697 2.50261 -101.08827 923.91257
2420.0000 -107.08699 -102.62457 4.46242 2.43916 -101.89103 863.60259
2425.0000 -107.36020 -101.84578 5.51442 2.38443 -102.58347 835.32918
2430.0000 -107.63191 -101.63296 5.99895 2.46581 -101.55386 898.39640
2435.0000 -106.90036 -102.42555 4.47481 2.46250 -101.59572 902.15993
2440.0000 -108.31432 -103.95774 4.35658 2.34807 -103.04337 785.20127
2445.0000 -107.43108 -103.14164 4.28944 2.37359 -102.72061 808.03591
2450.0000 -106.39367 -101.62353 4.77014 2.41521 -102.19399 826.91888
2455.0000 -106.29964 -101.14437 5.15527 2.43815 -101.90381 849.39231
2460.0000 -105.37482 -100.13560 5.23922 2.49421 -101.19458 902.82019
2465.0000 -105.97779 -100.67859 5.29920 2.52452 -100.81102 897.49810
2470.0000 -107.26020 -101.80645 5.45375 2.50910 -101.00613 915.96591
2475.0000 -107.02891 -102.49273 4.53618 2.38621 -102.56086 814.17948
2480.0000 -106.50667 -102.46789 4.03878 2.41569 -102.18794 848.39874
2485.0000 -107.55648 -103.12911 4.42736 2.35502 -102.95546 787.85847
2490.0000 -107.45235 -102.70702 4.74533 2.37118 -102.75106 796.31584
2495.0000 -107.10305 -102.79391 4.30914 2.38589 -102.56496 842.37964
2500.0000 -106.81462 -101.59455 5.22007 2.41402 -102.20902 872.85123
FREEZING PROCESS: loop number 11 T-loop= 845.00000000000000
main_MD> interactions number 11 at Temperature= 845.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31150 2.19376 -1.13803
force_rgl> df(natom) -0.45612 -2.00183 1.58228
2505.0000 -107.43955 -102.05740 5.38216 2.43653 -101.92421 852.61588
2510.0000 -107.52453 -102.99748 4.52705 2.42742 -102.03958 883.27481
2515.0000 -106.63595 -102.05132 4.58463 2.35839 -102.91281 818.32042
2520.0000 -107.07234 -103.10130 3.97104 2.39415 -102.46044 829.93154
2525.0000 -107.81180 -103.13021 4.68160 2.34891 -103.03279 769.42754
2530.0000 -108.55062 -104.95972 3.59091 2.30253 -103.61959 802.38775
2535.0000 -107.77374 -103.33142 4.44233 2.32100 -103.38588 790.01082
2540.0000 -106.08857 -101.48762 4.60095 2.41822 -102.15597 804.73872
2545.0000 -107.00678 -101.89759 5.10918 2.43826 -101.90243 868.86492
2550.0000 -107.35453 -102.25801 5.09652 2.44076 -101.87079 880.14432
2555.0000 -106.45109 -101.53822 4.91287 2.45355 -101.70898 866.13573
2560.0000 -106.68029 -101.95666 4.72363 2.48817 -101.27097 886.14358
2565.0000 -106.13482 -100.56416 5.57067 2.44042 -101.87502 827.05809
2570.0000 -107.25386 -102.31103 4.94282 2.44908 -101.76549 858.16946
2575.0000 -107.37170 -101.57361 5.79810 2.41826 -102.15535 848.87358
2580.0000 -106.49138 -101.70432 4.78706 2.42541 -102.06491 871.62729
2585.0000 -105.85465 -100.84270 5.01195 2.49464 -101.18906 877.00668
2590.0000 -106.18696 -101.43811 4.74885 2.45084 -101.74317 883.89048
2595.0000 -107.06084 -101.52161 5.53924 2.50316 -101.08123 944.10039
2600.0000 -105.85463 -101.80760 4.04702 2.43514 -101.94190 870.06241
2605.0000 -106.51042 -101.87812 4.63231 2.44766 -101.78344 858.45885
2610.0000 -106.96980 -102.20724 4.76256 2.41046 -102.25409 845.11227
2615.0000 -108.12026 -103.46576 4.65450 2.38678 -102.55370 855.22544
2620.0000 -106.86850 -102.66378 4.20472 2.32895 -103.28530 778.28908
2625.0000 -107.03763 -102.57531 4.46231 2.40400 -102.33580 836.97570
2630.0000 -106.13480 -101.12353 5.01127 2.40641 -102.30527 820.48701
2635.0000 -107.49709 -101.95204 5.54506 2.47772 -101.40309 916.72822
2640.0000 -108.28987 -102.66213 5.62773 2.39180 -102.49019 799.05878
2645.0000 -107.90687 -103.55818 4.34870 2.34610 -103.06838 792.18917
2650.0000 -107.08871 -101.47539 5.61332 2.44109 -101.86661 866.77613
2655.0000 -106.91063 -101.24021 5.67042 2.50050 -101.11492 933.08934
2660.0000 -106.68567 -101.87064 4.81503 2.44553 -101.81042 854.29825
2665.0000 -106.19525 -101.63390 4.56135 2.39363 -102.46702 897.20070
2670.0000 -106.86006 -101.92811 4.93195 2.44007 -101.87942 868.78109
2675.0000 -107.72662 -102.50562 5.22100 2.42294 -102.09614 878.90625
2680.0000 -107.73019 -102.64340 5.08679 2.36758 -102.79658 833.42992
2685.0000 -106.48105 -101.96286 4.51819 2.39582 -102.43924 848.06932
2690.0000 -107.45305 -101.18975 6.26330 2.53481 -100.68087 940.88504
2695.0000 -107.41046 -102.17062 5.23984 2.42002 -102.13317 861.42596
2700.0000 -107.46320 -102.26981 5.19339 2.40084 -102.37573 863.98266
2705.0000 -108.03117 -103.57384 4.45732 2.31115 -103.51053 787.16930
2710.0000 -108.58026 -104.02025 4.56001 2.31282 -103.48934 770.42950
2715.0000 -108.35327 -102.83636 5.51691 2.32793 -103.29826 804.92725
2720.0000 -106.72532 -102.05015 4.67517 2.34546 -103.07641 827.37141
2725.0000 -105.95155 -102.00959 3.94196 2.45189 -101.72989 890.50601
2730.0000 -106.88297 -102.19658 4.68639 2.39022 -102.51017 862.29296
2735.0000 -108.87976 -103.86195 5.01781 2.39143 -102.49485 845.71346
2740.0000 -107.38279 -103.61708 3.76571 2.30895 -103.53828 749.04195
2745.0000 -107.09661 -102.02358 5.07302 2.38014 -102.63772 816.25773
2750.0000 -107.99888 -103.95111 4.04777 2.37099 -102.75347 802.47819
FREEZING PROCESS: loop number 12 T-loop= 820.00000000000000
main_MD> interactions number 12 at Temperature= 820.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72920 0.55131 0.01907
force_rgl> df(natom) 1.38854 -1.32187 -0.24801
2755.0000 -109.46526 -105.42299 4.04227 2.21614 -104.71254 696.93520
2760.0000 -107.80679 -102.58656 5.22024 2.31932 -103.40715 752.87007
2765.0000 -108.24624 -104.29354 3.95270 2.33417 -103.21930 807.71183
2770.0000 -108.37549 -104.57761 3.79788 2.26483 -104.09657 728.57451
2775.0000 -108.99705 -103.09710 5.89995 2.25746 -104.18980 746.57213
2780.0000 -107.85868 -102.89797 4.96072 2.36325 -102.85131 849.68870
2785.0000 -108.38483 -103.00172 5.38311 2.35076 -103.00934 809.85681
2790.0000 -107.32450 -103.55092 3.77358 2.36270 -102.85837 806.78991
2795.0000 -108.14983 -104.07108 4.07875 2.27596 -103.95569 744.92535
2800.0000 -107.28424 -103.53354 3.75070 2.30939 -103.53283 775.33885
2805.0000 -108.85380 -103.90549 4.94831 2.33366 -103.22576 792.95401
2810.0000 -107.51823 -102.58543 4.93281 2.34451 -103.08846 796.48892
2815.0000 -108.22153 -103.42603 4.79550 2.35622 -102.94032 793.34710
2820.0000 -107.15441 -102.45772 4.69669 2.37324 -102.72501 820.97934
2825.0000 -106.24088 -101.50873 4.73215 2.39168 -102.49174 853.72915
2830.0000 -106.90229 -101.66781 5.23448 2.43278 -101.97170 850.17763
2835.0000 -107.61706 -102.51049 5.10657 2.41679 -102.17396 866.42721
2840.0000 -107.38759 -102.92928 4.45831 2.34364 -103.09947 791.91951
2845.0000 -109.53402 -104.39643 5.13759 2.29770 -103.68071 806.34127
2850.0000 -108.20668 -103.77839 4.42829 2.29732 -103.68547 759.26525
2855.0000 -106.52614 -101.33827 5.18787 2.40281 -102.35088 819.38806
2860.0000 -107.18738 -100.91420 6.27318 2.44644 -101.79891 855.03228
2865.0000 -108.40694 -103.04645 5.36048 2.40954 -102.26571 845.82186
2870.0000 -107.35049 -103.14182 4.20867 2.32037 -103.39381 780.74195
2875.0000 -108.10038 -103.06374 5.03665 2.40982 -102.26221 873.59743
2880.0000 -108.16422 -103.54594 4.61828 2.30476 -103.59140 788.47605
2885.0000 -106.86524 -103.03571 3.82953 2.36541 -102.82399 785.10180
2890.0000 -107.51227 -101.65625 5.85602 2.40060 -102.37879 834.99490
2895.0000 -109.02870 -103.99624 5.03246 2.39033 -102.50878 844.70725
2900.0000 -107.79987 -102.95970 4.84017 2.24850 -104.30307 751.39422
2905.0000 -108.79000 -103.30989 5.48011 2.34576 -103.07268 817.89038
2910.0000 -107.87593 -103.52886 4.34706 2.29725 -103.68632 735.49722
2915.0000 -108.46468 -103.27479 5.18989 2.31770 -103.42769 786.19567
2920.0000 -107.06204 -103.05754 4.00449 2.30840 -103.54526 783.65632
2925.0000 -106.97312 -101.21681 5.75632 2.43619 -101.92852 865.16173
2930.0000 -106.19064 -101.81368 4.37696 2.43588 -101.93250 873.41568
2935.0000 -107.28557 -102.89216 4.39340 2.42845 -102.02653 840.42861
2940.0000 -106.84431 -101.83633 5.00798 2.47728 -101.40869 890.16738
2945.0000 -106.98364 -102.19691 4.78673 2.40492 -102.32416 841.02093
2950.0000 -106.43854 -101.91754 4.52100 2.47000 -101.50076 867.17626
2955.0000 -107.97477 -102.77817 5.19660 2.38245 -102.60849 843.95908
2960.0000 -107.37674 -102.75115 4.62559 2.31036 -103.52056 782.66868
2965.0000 -108.60886 -103.00860 5.60026 2.35262 -102.98580 807.77192
2970.0000 -107.24522 -101.81713 5.42810 2.38542 -102.57083 834.23678
2975.0000 -107.99693 -102.77882 5.21811 2.41193 -102.23550 866.45278
2980.0000 -107.00283 -100.47513 6.52770 2.41671 -102.17507 845.41639
2985.0000 -107.70976 -102.78997 4.91979 2.45223 -101.72560 877.32049
2990.0000 -107.24405 -102.97073 4.27332 2.37825 -102.66164 833.82157
2995.0000 -107.88281 -103.39387 4.48894 2.31392 -103.47544 786.12878
3000.0000 -107.99372 -104.03881 3.95491 2.27817 -103.92781 777.09882
FREEZING PROCESS: loop number 13 T-loop= 795.00000000000000
main_MD> interactions number 13 at Temperature= 795.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.13550 -1.65814 -1.88018
force_rgl> df(natom) 0.37357 0.32296 0.90134
3005.0000 -108.10207 -104.93069 3.17138 2.24124 -104.39499 749.86377
3010.0000 -108.48831 -104.42636 4.06195 2.23401 -104.48648 716.19625
3015.0000 -107.85504 -103.73092 4.12412 2.35526 -102.95250 827.53843
3020.0000 -108.87192 -102.54043 6.33149 2.28819 -103.80096 787.33113
3025.0000 -108.09309 -103.41284 4.68024 2.37363 -102.72006 837.76760
3030.0000 -107.95137 -103.92652 4.02485 2.29452 -103.72086 742.74462
3035.0000 -107.80576 -103.63625 4.16951 2.33004 -103.27155 787.32469
3040.0000 -108.27549 -103.60002 4.67546 2.30043 -103.64615 777.97042
3045.0000 -107.49843 -103.94603 3.55240 2.32028 -103.39498 762.37556
3050.0000 -108.51765 -104.35704 4.16061 2.31489 -103.46313 770.97179
3055.0000 -108.69036 -104.18420 4.50617 2.28815 -103.80144 745.74034
3060.0000 -107.87415 -103.26411 4.61004 2.30822 -103.54760 759.64073
3065.0000 -107.63160 -102.85410 4.77750 2.33178 -103.24957 781.50322
3070.0000 -107.55316 -102.75770 4.79547 2.36454 -102.83511 804.04992
3075.0000 -108.20653 -103.74694 4.45959 2.34721 -103.05429 790.22395
3080.0000 -110.06298 -104.34676 5.71623 2.25649 -104.20198 722.36353
3085.0000 -108.25482 -103.18297 5.07184 2.27070 -104.02232 748.62592
3090.0000 -107.79216 -102.91813 4.87403 2.34377 -103.09781 814.51169
3095.0000 -107.68999 -103.45871 4.23128 2.32198 -103.37351 770.01755
3100.0000 -108.26312 -103.57065 4.69247 2.32077 -103.38877 773.10614
3105.0000 -108.57211 -103.59136 4.98075 2.27892 -103.91824 726.80650
3110.0000 -106.93444 -102.40809 4.52635 2.35485 -102.95766 793.51931
3115.0000 -108.59638 -104.94227 3.65411 2.29219 -103.75044 737.49643
3120.0000 -108.64106 -105.15413 3.48692 2.19418 -104.99035 655.22121
3125.0000 -106.85246 -103.13933 3.71313 2.26518 -104.09212 719.45967
3130.0000 -107.59372 -102.49392 5.09980 2.37510 -102.70145 832.32251
3135.0000 -107.89300 -102.76172 5.13129 2.37341 -102.72288 817.75889
3140.0000 -108.69231 -104.19535 4.49696 2.25218 -104.25656 739.17935
3145.0000 -107.94912 -102.99046 4.95866 2.29406 -103.72673 779.60125
3150.0000 -108.75166 -104.05520 4.69646 2.32332 -103.35648 797.34704
3155.0000 -107.31147 -102.32890 4.98257 2.36606 -102.81576 825.50714
3160.0000 -106.54279 -101.40208 5.14071 2.48020 -101.37180 885.12626
3165.0000 -106.36270 -101.43570 4.92700 2.50571 -101.04901 903.86044
3170.0000 -107.38176 -102.49157 4.89019 2.43541 -101.93841 864.04659
3175.0000 -107.91813 -104.07776 3.84037 2.29438 -103.72272 742.52620
3180.0000 -107.81354 -103.20501 4.60852 2.29915 -103.66238 757.74394
3185.0000 -108.01343 -103.55062 4.46281 2.33787 -103.17247 812.70712
3190.0000 -106.96777 -102.62720 4.34057 2.36951 -102.77219 814.88473
3195.0000 -107.83689 -103.12014 4.71675 2.35931 -102.90123 815.86836
3200.0000 -107.65569 -102.16075 5.49494 2.35289 -102.98242 797.12255
3205.0000 -107.78816 -102.89165 4.89651 2.38768 -102.54225 815.00660
3210.0000 -108.02666 -103.73768 4.28899 2.31838 -103.41909 783.54155
3215.0000 -107.52910 -102.82135 4.70775 2.34416 -103.09284 777.49980
3220.0000 -108.49452 -103.66341 4.83111 2.27988 -103.90612 766.01745
3225.0000 -107.67506 -103.48474 4.19032 2.33578 -103.19893 817.02887
3230.0000 -108.13412 -102.63347 5.50065 2.36511 -102.82782 843.83664
3235.0000 -107.01155 -102.67353 4.33802 2.42645 -102.05179 885.42925
3240.0000 -107.98089 -102.93997 5.04091 2.35171 -102.99736 802.39416
3245.0000 -108.25673 -102.79080 5.46593 2.33189 -103.24809 812.77749
3250.0000 -107.39090 -103.15331 4.23759 2.34813 -103.04266 826.81614
FREEZING PROCESS: loop number 14 T-loop= 770.00000000000000
main_MD> interactions number 14 at Temperature= 770.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17977 -0.57354 -0.86770
force_rgl> df(natom) 1.14021 -0.30289 0.43289
3255.0000 -108.07732 -103.14797 4.92935 2.36511 -102.82782 800.29757
3260.0000 -108.11049 -103.95554 4.15495 2.25612 -104.20673 722.65522
3265.0000 -108.32871 -103.16486 5.16385 2.24394 -104.36083 715.63591
3270.0000 -107.37729 -102.45633 4.92096 2.34708 -103.05592 826.21750
3275.0000 -106.38404 -101.19277 5.19127 2.41030 -102.25611 845.75753
3280.0000 -107.11428 -102.10023 5.01405 2.45742 -101.65992 894.39306
3285.0000 -107.46782 -101.38911 6.07871 2.46175 -101.60514 894.68766
3290.0000 -106.64307 -101.08238 5.56069 2.44655 -101.79746 854.40896
3295.0000 -107.93226 -103.61029 4.32197 2.37192 -102.74169 809.94657
3300.0000 -107.78982 -102.31595 5.47387 2.36099 -102.88001 818.04911
3305.0000 -108.00542 -103.16042 4.84500 2.33764 -103.17542 775.80069
3310.0000 -108.08730 -103.39255 4.69475 2.29187 -103.75443 738.93623
3315.0000 -108.71625 -103.07841 5.63784 2.30513 -103.58663 764.31050
3320.0000 -108.21053 -102.92030 5.29023 2.30686 -103.56481 746.15850
3325.0000 -108.73200 -104.02306 4.70894 2.31210 -103.49854 782.64757
3330.0000 -108.32448 -104.14058 4.18390 2.27371 -103.98413 754.39145
3335.0000 -107.81677 -104.38927 3.42750 2.26811 -104.05504 734.61217
3340.0000 -107.09053 -102.50684 4.58369 2.32504 -103.33478 784.02245
3345.0000 -108.13249 -104.15098 3.98151 2.39164 -102.49217 852.24069
3350.0000 -108.24556 -103.90987 4.33570 2.27058 -104.02372 736.67576
3355.0000 -108.29755 -103.75441 4.54314 2.30549 -103.58206 775.54905
3360.0000 -107.90305 -104.15377 3.74929 2.28744 -103.81052 753.60199
3365.0000 -108.50242 -104.06488 4.43754 2.27444 -103.97495 757.78007
3370.0000 -107.41403 -102.03359 5.38043 2.34648 -103.06358 819.04157
3375.0000 -108.48529 -102.61369 5.87161 2.40278 -102.35122 860.20169
3380.0000 -106.27000 -101.22771 5.04230 2.39341 -102.46974 799.80489
3385.0000 -107.33392 -102.54133 4.79259 2.46306 -101.58863 940.37149
3390.0000 -108.22512 -103.50997 4.71515 2.34004 -103.14500 794.22856
3395.0000 -107.31086 -103.72702 3.58384 2.28019 -103.90215 745.91989
3400.0000 -107.18684 -102.74764 4.43920 2.34828 -103.04080 794.99961
3405.0000 -107.51449 -102.44984 5.06465 2.36623 -102.81367 805.32054
3410.0000 -109.03650 -103.78457 5.25194 2.34149 -103.12666 788.76676
3415.0000 -108.63324 -105.02310 3.61015 2.27224 -104.00274 756.44042
3420.0000 -109.44622 -104.36690 5.07932 2.18754 -105.07439 691.30924
3425.0000 -108.30652 -104.37083 3.93569 2.24164 -104.38987 714.62511
3430.0000 -108.53518 -103.76020 4.77499 2.24579 -104.33744 739.63068
3435.0000 -109.36707 -105.48839 3.87867 2.21462 -104.73177 735.71779
3440.0000 -108.55952 -104.53354 4.02598 2.18933 -105.05173 691.94348
3445.0000 -108.47770 -105.29451 3.18318 2.17855 -105.18804 657.36023
3450.0000 -106.77689 -102.63461 4.14228 2.29442 -103.72215 776.91048
3455.0000 -108.71177 -103.58287 5.12890 2.29960 -103.65666 762.71200
3460.0000 -108.38892 -103.22278 5.16614 2.31025 -103.52191 774.51972
3465.0000 -108.05375 -103.87651 4.17724 2.34728 -103.05344 792.30512
3470.0000 -107.97997 -103.06615 4.91382 2.29001 -103.77799 743.60090
3475.0000 -108.73297 -104.13655 4.59642 2.29162 -103.75763 773.88819
3480.0000 -108.84354 -104.03804 4.80550 2.28642 -103.82334 764.35549
3485.0000 -107.33554 -102.13758 5.19796 2.34793 -103.04518 799.84394
3490.0000 -108.47664 -103.97417 4.50246 2.32425 -103.34482 737.78611
3495.0000 -108.37462 -104.80202 3.57260 2.24534 -104.34314 708.66535
3500.0000 -107.68985 -103.35683 4.33302 2.27922 -103.91449 753.99555
FREEZING PROCESS: loop number 15 T-loop= 745.00000000000000
main_MD> interactions number 15 at Temperature= 745.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77613 -1.83762 -3.13622
force_rgl> df(natom) -0.61885 -0.05393 0.77789
3505.0000 -108.76673 -104.04186 4.72487 2.33023 -103.26906 757.36687
3510.0000 -107.94868 -102.62149 5.32719 2.33967 -103.14967 800.11051
3515.0000 -108.30198 -103.56113 4.74085 2.29254 -103.74595 774.21474
3520.0000 -107.79090 -103.46491 4.32599 2.35056 -103.01187 807.83838
3525.0000 -109.11917 -105.45887 3.66030 2.24474 -104.35072 713.32031
3530.0000 -109.27827 -105.44101 3.83726 2.17593 -105.22126 669.10567
3535.0000 -108.30960 -105.00347 3.30613 2.18040 -105.16472 682.88550
3540.0000 -109.41971 -105.18162 4.23809 2.18738 -105.07642 652.30125
3545.0000 -108.51196 -104.25738 4.25458 2.24114 -104.39630 734.93167
3550.0000 -108.40303 -103.69518 4.70784 2.28638 -103.82383 766.18343
3555.0000 -108.58831 -104.61399 3.97431 2.25658 -104.20095 742.16000
3560.0000 -108.88477 -104.13668 4.74809 2.26737 -104.06436 721.91754
3565.0000 -108.44008 -103.69551 4.74458 2.25108 -104.27055 718.14633
3570.0000 -108.00977 -103.82002 4.18975 2.29980 -103.65406 775.41377
3575.0000 -108.24240 -104.72760 3.51480 2.19718 -104.95243 675.60610
3580.0000 -108.94663 -104.94992 3.99671 2.20676 -104.83121 704.27476
3585.0000 -108.67800 -104.31117 4.36682 2.23182 -104.51417 680.61223
3590.0000 -109.78199 -106.39769 3.38430 2.14230 -105.64665 631.76280
3595.0000 -108.82076 -104.68397 4.13679 2.16828 -105.31799 673.32147
3600.0000 -108.78622 -103.81694 4.96928 2.27908 -103.91623 764.14980
3605.0000 -109.05168 -104.90669 4.14499 2.20453 -104.85935 686.00560
3610.0000 -108.19443 -103.06674 5.12769 2.28664 -103.82063 746.28669
3615.0000 -107.22362 -102.28050 4.94311 2.33713 -103.18179 767.19679
3620.0000 -106.86025 -102.82890 4.03134 2.35653 -102.93637 832.98747
3625.0000 -108.91768 -104.75014 4.16755 2.35687 -102.93213 813.39014
3630.0000 -109.40073 -105.66651 3.73421 2.22742 -104.56979 720.23344
3635.0000 -107.29590 -103.74065 3.55525 2.23931 -104.41936 725.59763
3640.0000 -108.34328 -104.53560 3.80768 2.28184 -103.88135 738.80682
3645.0000 -108.71331 -103.33076 5.38255 2.28320 -103.86410 752.69978
3650.0000 -108.45330 -103.94792 4.50538 2.31169 -103.50370 759.43613
3655.0000 -108.28526 -104.97058 3.31468 2.24223 -104.38245 710.66369
3660.0000 -108.45178 -104.30649 4.14529 2.23176 -104.51491 683.55837
3665.0000 -108.60576 -103.82143 4.78433 2.26946 -104.03791 733.17980
3670.0000 -109.23304 -104.98666 4.24638 2.23564 -104.46580 725.48174
3675.0000 -108.13835 -104.26876 3.86959 2.24089 -104.39937 732.85766
3680.0000 -107.38700 -103.60115 3.78586 2.26649 -104.07555 723.93104
3685.0000 -108.17711 -105.00577 3.17134 2.22805 -104.56182 665.72963
3690.0000 -107.62821 -102.77443 4.85378 2.25679 -104.19820 702.66993
3695.0000 -107.27625 -102.06984 5.20641 2.38131 -102.62290 803.73640
3700.0000 -107.76140 -102.83470 4.92670 2.41883 -102.14815 842.92178
3705.0000 -108.40079 -103.69351 4.70728 2.32991 -103.27311 772.74653
3710.0000 -108.64197 -103.14418 5.49779 2.30047 -103.64560 770.90520
3715.0000 -107.64212 -103.11158 4.53054 2.38118 -102.62451 855.97278
3720.0000 -108.29503 -103.79300 4.50203 2.33648 -103.19008 790.71112
3725.0000 -106.65881 -102.58840 4.07041 2.32236 -103.36867 791.16386
3730.0000 -108.18332 -103.79496 4.38836 2.34019 -103.14310 820.76626
3735.0000 -107.63154 -103.32214 4.30940 2.27079 -104.02110 721.35777
3740.0000 -109.39816 -104.51774 4.88043 2.29647 -103.69619 766.66774
3745.0000 -108.77880 -104.20468 4.57413 2.22059 -104.65622 711.06887
3750.0000 -109.33045 -105.26439 4.06606 2.24557 -104.34018 730.38689
FREEZING PROCESS: loop number 16 T-loop= 720.00000000000000
main_MD> interactions number 16 at Temperature= 720.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.78423 2.17686 -2.48612
force_rgl> df(natom) 0.08672 -4.31925 2.55204
3755.0000 -109.41543 -105.36209 4.05334 2.15774 -105.45138 690.55637
3760.0000 -108.94091 -104.60331 4.33760 2.20381 -104.86853 716.43618
3765.0000 -109.39156 -104.32302 5.06854 2.21865 -104.68082 691.69134
3770.0000 -108.04951 -103.98617 4.06334 2.27097 -104.01881 739.40123
3775.0000 -109.10275 -104.44903 4.65372 2.27731 -103.93868 717.84984
3780.0000 -109.39220 -104.52126 4.87095 2.23884 -104.42539 721.13660
3785.0000 -109.16363 -105.01207 4.15156 2.19732 -104.95068 689.94511
3790.0000 -108.88465 -104.82607 4.05857 2.16915 -105.30702 649.07417
3795.0000 -108.55062 -103.96131 4.58931 2.26008 -104.15665 743.49806
3800.0000 -108.44613 -103.78345 4.66268 2.30012 -103.65004 764.23516
3805.0000 -106.93754 -103.53620 3.40134 2.30093 -103.63977 736.04954
3810.0000 -107.25599 -102.81180 4.44418 2.33429 -103.21772 758.00877
3815.0000 -107.94207 -103.31620 4.62587 2.33825 -103.16769 789.25029
3820.0000 -107.90222 -102.79849 5.10373 2.30558 -103.58101 750.40261
3825.0000 -108.35473 -102.91449 5.44023 2.27806 -103.92913 754.59513
3830.0000 -108.01154 -103.21522 4.79632 2.32181 -103.37569 769.04259
3835.0000 -109.58779 -105.82324 3.76455 2.21429 -104.73595 692.42791
3840.0000 -109.15122 -106.21532 2.93590 2.13684 -105.71579 630.11282
3845.0000 -108.73980 -105.34171 3.39809 2.17526 -105.22975 649.36637
3850.0000 -109.39782 -105.32339 4.07443 2.13316 -105.76239 634.44110
3855.0000 -108.69169 -104.08936 4.60233 2.19761 -104.94702 681.34396
3860.0000 -109.56279 -105.25366 4.30913 2.24082 -104.40030 748.74500
3865.0000 -109.35911 -105.81919 3.53992 2.15095 -105.53726 658.61900
3870.0000 -108.04463 -103.84854 4.19609 2.22669 -104.57908 719.04482
3875.0000 -107.38658 -103.19899 4.18759 2.30360 -103.60598 729.41716
3880.0000 -107.28335 -103.21589 4.06746 2.29459 -103.71999 730.87363
3885.0000 -108.05786 -103.29655 4.76131 2.28256 -103.87225 764.99468
3890.0000 -109.38721 -104.96034 4.42687 2.27466 -103.97220 769.00324
3895.0000 -108.71171 -104.72580 3.98591 2.25795 -104.18355 743.60901
3900.0000 -108.03963 -103.63175 4.40787 2.28698 -103.81634 740.52109
3905.0000 -107.17085 -103.42945 3.74140 2.28793 -103.80433 721.57394
3910.0000 -108.35331 -104.80689 3.54642 2.27794 -103.93064 740.11327
3915.0000 -107.33174 -103.95981 3.37193 2.26291 -104.12086 765.37709
3920.0000 -107.80836 -103.08687 4.72149 2.30286 -103.61545 760.60534
3925.0000 -107.26470 -102.68827 4.57643 2.33470 -103.21251 798.94616
3930.0000 -107.48885 -103.01266 4.47620 2.40791 -102.28641 875.71776
3935.0000 -107.96009 -102.19371 5.76638 2.40155 -102.36682 832.66714
3940.0000 -107.53296 -102.80345 4.72951 2.35467 -102.95994 801.22521
3945.0000 -108.00895 -103.87656 4.13239 2.27217 -104.00372 735.97791
3950.0000 -108.29021 -103.93524 4.35496 2.25550 -104.21453 720.98213
3955.0000 -109.05608 -104.67713 4.37895 2.27356 -103.98606 735.79039
3960.0000 -108.19637 -104.49881 3.69755 2.23590 -104.46252 661.31623
3965.0000 -108.02408 -103.04371 4.98037 2.29582 -103.70443 740.01193
3970.0000 -108.75725 -104.73276 4.02449 2.25653 -104.20152 716.78532
3975.0000 -108.20387 -104.87143 3.33244 2.20877 -104.80575 684.60278
3980.0000 -108.35746 -104.15900 4.19845 2.23023 -104.53431 714.65595
3985.0000 -108.78857 -105.25511 3.53346 2.23174 -104.51522 727.02130
3990.0000 -109.05534 -105.23445 3.82090 2.19710 -104.95343 709.40485
3995.0000 -109.52197 -105.33922 4.18275 2.16803 -105.32117 661.64496
4000.0000 -108.28558 -103.87507 4.41052 2.16640 -105.34182 705.07520
FREEZING PROCESS: loop number 17 T-loop= 695.00000000000000
main_MD> interactions number 17 at Temperature= 695.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34448 -2.99418 -2.58584
force_rgl> df(natom) 2.49284 0.12427 -1.17223
4005.0000 -108.49678 -104.23493 4.26185 2.27593 -103.95611 771.41663
4010.0000 -109.64532 -105.50620 4.13911 2.20699 -104.82823 703.35225
4015.0000 -109.97954 -105.68803 4.29151 2.14516 -105.61058 660.59906
4020.0000 -109.18922 -105.11342 4.07580 2.16234 -105.39316 650.06489
4025.0000 -109.22583 -105.11919 4.10664 2.18305 -105.13121 678.59484
4030.0000 -108.49025 -104.30989 4.18035 2.19267 -105.00945 663.35010
4035.0000 -109.49456 -105.35738 4.13718 2.22565 -104.59220 737.57683
4040.0000 -108.57165 -104.12410 4.44755 2.21213 -104.76325 683.89734
4045.0000 -107.48744 -103.76995 3.71749 2.31947 -103.40523 769.76563
4050.0000 -108.69165 -104.84790 3.84376 2.25253 -104.25212 725.15571
4055.0000 -109.43659 -105.15844 4.27814 2.17994 -105.17051 674.23519
4060.0000 -108.74935 -104.13150 4.61785 2.22473 -104.60389 707.95350
4065.0000 -108.50120 -104.46408 4.03712 2.24301 -104.37257 740.12527
4070.0000 -108.52584 -103.63181 4.89403 2.32805 -103.29672 786.86950
4075.0000 -108.73020 -104.94064 3.78956 2.24733 -104.31787 728.65647
4080.0000 -109.17066 -105.76451 3.40615 2.18193 -105.14534 679.45699
4085.0000 -108.89406 -104.92909 3.96497 2.17420 -105.24311 668.98117
4090.0000 -108.29221 -104.69055 3.60166 2.22181 -104.64082 715.23975
4095.0000 -108.36903 -104.17768 4.19136 2.17957 -105.17516 667.06369
4100.0000 -107.68561 -103.46615 4.21946 2.25804 -104.18246 737.06314
4105.0000 -108.60230 -104.61973 3.98257 2.26961 -104.03605 733.37893
4110.0000 -108.07017 -103.84845 4.22173 2.27471 -103.97150 715.18010
4115.0000 -109.22726 -105.68280 3.54446 2.21067 -104.78173 695.11611
4120.0000 -108.88760 -105.68658 3.20102 2.17587 -105.22197 652.51177
4125.0000 -109.14539 -105.64429 3.50110 2.11587 -105.98110 602.63763
4130.0000 -108.63268 -104.35816 4.27452 2.22189 -104.63976 674.46893
4135.0000 -108.97700 -104.09888 4.87813 2.26060 -104.15008 765.98083
4140.0000 -108.44176 -104.45164 3.99012 2.26301 -104.11961 734.11710
4145.0000 -110.16558 -106.55425 3.61132 2.18795 -105.06912 681.94848
4150.0000 -109.27926 -104.72288 4.55638 2.15086 -105.53842 636.75962
4155.0000 -108.99857 -105.07811 3.92045 2.18620 -105.09132 683.89623
4160.0000 -108.52383 -104.89945 3.62438 2.22890 -104.55105 701.43715
4165.0000 -108.97459 -104.16332 4.81127 2.25733 -104.19145 678.71166
4170.0000 -108.73864 -103.96648 4.77216 2.24702 -104.32190 718.39309
4175.0000 -108.99309 -104.52020 4.47289 2.23782 -104.43821 711.58458
4180.0000 -107.62352 -103.40187 4.22165 2.23112 -104.52305 731.04462
4185.0000 -109.86018 -105.47874 4.38144 2.21971 -104.66741 718.29381
4190.0000 -108.82939 -104.79603 4.03336 2.18306 -105.13101 703.18325
4195.0000 -109.40541 -105.19161 4.21380 2.18351 -105.12531 707.11938
4200.0000 -108.63836 -103.71417 4.92418 2.21818 -104.68672 698.35542
4205.0000 -109.19827 -105.57930 3.61897 2.25196 -104.25934 723.60168
4210.0000 -110.78510 -107.61024 3.17486 2.08436 -106.37977 581.42329
4215.0000 -109.04915 -106.11821 2.93094 2.04617 -106.86290 548.17658
4220.0000 -108.32054 -104.63860 3.68195 2.14284 -105.63986 638.36186
4225.0000 -109.47380 -104.20411 5.26968 2.21183 -104.76699 707.81571
4230.0000 -108.90020 -105.07573 3.82447 2.19503 -104.97955 678.41943
4235.0000 -108.86473 -104.19551 4.66922 2.23938 -104.41854 707.51182
4240.0000 -107.54721 -103.25133 4.29588 2.27655 -103.94822 753.87962
4245.0000 -108.83804 -103.20042 5.63762 2.35971 -102.89619 805.08592
4250.0000 -108.62271 -104.22869 4.39402 2.28910 -103.78949 743.27014
FREEZING PROCESS: loop number 18 T-loop= 670.00000000000000
main_MD> interactions number 18 at Temperature= 670.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93651 0.87836 2.40334
force_rgl> df(natom) 0.58018 0.55249 -1.09184
4255.0000 -108.78141 -105.17576 3.60565 2.19208 -105.01687 651.65743
4260.0000 -108.33012 -104.30593 4.02418 2.23088 -104.52610 678.43819
4265.0000 -108.14039 -104.33678 3.80362 2.24754 -104.31532 727.54373
4270.0000 -108.68147 -104.78223 3.89923 2.24663 -104.32680 723.55345
4275.0000 -108.49861 -104.65133 3.84728 2.19716 -104.95269 658.86121
4280.0000 -109.03169 -105.68618 3.34551 2.18115 -105.15523 654.03378
4285.0000 -109.58121 -106.54557 3.03564 2.11538 -105.98730 608.99048
4290.0000 -110.16081 -106.31815 3.84266 2.09449 -106.25159 596.07576
4295.0000 -109.12619 -105.24226 3.88393 2.13834 -105.69682 639.90367
4300.0000 -109.56273 -105.84803 3.71469 2.17473 -105.23647 684.56107
4305.0000 -109.06731 -105.05812 4.00920 2.14345 -105.63217 649.99061
4310.0000 -108.82136 -105.10854 3.71282 2.18435 -105.11473 672.77212
4315.0000 -108.30299 -103.49575 4.80724 2.24272 -104.37622 711.51527
4320.0000 -108.36467 -103.85221 4.51246 2.27518 -103.96555 743.17776
4325.0000 -108.51218 -103.99378 4.51840 2.34103 -103.13245 795.06179
4330.0000 -107.95838 -103.85003 4.10835 2.29839 -103.67191 757.88540
4335.0000 -108.42548 -104.23686 4.18862 2.24621 -104.33213 706.13467
4340.0000 -108.85163 -104.40341 4.44822 2.25832 -104.17889 760.59288
4345.0000 -109.39787 -106.13281 3.26506 2.24040 -104.40563 710.31095
4350.0000 -108.88004 -105.07012 3.80992 2.15092 -105.53768 652.87580
4355.0000 -108.70665 -105.31857 3.38808 2.15814 -105.44627 642.27017
4360.0000 -108.19421 -104.42356 3.77065 2.20343 -104.87330 683.51756
4365.0000 -108.73053 -105.25826 3.47226 2.19323 -105.00239 656.39995
4370.0000 -109.33938 -105.06734 4.27204 2.18216 -105.14246 677.81768
4375.0000 -109.66121 -106.48390 3.17731 2.16978 -105.29910 670.15517
4380.0000 -109.41043 -105.50494 3.90549 2.08108 -106.42120 591.21852
4385.0000 -108.69495 -104.03916 4.65579 2.15544 -105.48042 654.98899
4390.0000 -108.41417 -104.53821 3.87596 2.23261 -104.50416 739.75686
4395.0000 -108.84590 -105.27714 3.56876 2.19529 -104.97636 690.16687
4400.0000 -109.10602 -105.38053 3.72549 2.17291 -105.25948 651.39617
4405.0000 -108.36848 -105.12478 3.24370 2.18467 -105.11072 659.07582
4410.0000 -110.22810 -105.77902 4.44909 2.16066 -105.41449 667.29298
4415.0000 -109.46931 -105.40809 4.06122 2.13725 -105.71064 635.43460
4420.0000 -109.30825 -105.07811 4.23014 2.18302 -105.13159 666.69770
4425.0000 -108.96313 -105.37036 3.59276 2.19245 -105.01227 701.63571
4430.0000 -109.40967 -105.47404 3.93562 2.17535 -105.22862 657.63899
4435.0000 -109.33848 -104.86200 4.47648 2.16151 -105.40367 660.91501
4440.0000 -108.91450 -105.27102 3.64347 2.21018 -104.78790 674.43590
4445.0000 -108.73093 -104.97979 3.75114 2.19989 -104.91812 682.14328
4450.0000 -108.40574 -104.53622 3.86953 2.20973 -104.79363 702.75609
4455.0000 -108.30636 -104.55151 3.75485 2.24689 -104.32355 713.29756
4460.0000 -109.13016 -105.33372 3.79644 2.17866 -105.18668 638.35218
4465.0000 -109.11979 -105.81657 3.30322 2.14799 -105.57469 629.67927
4470.0000 -109.93958 -105.79788 4.14170 2.15916 -105.43339 649.04386
4475.0000 -108.96867 -105.25989 3.70878 2.15519 -105.48361 659.05826
4480.0000 -109.56733 -105.03784 4.52950 2.20390 -104.86738 674.84556
4485.0000 -108.78021 -104.86482 3.91540 2.21040 -104.78519 688.65130
4490.0000 -109.57739 -106.42474 3.15265 2.16313 -105.38324 658.30156
4495.0000 -110.75094 -107.10140 3.64954 2.07121 -106.54612 589.49085
4500.0000 -109.84482 -106.30891 3.53591 2.06927 -106.57064 604.81806
FREEZING PROCESS: loop number 19 T-loop= 645.00000000000000
main_MD> interactions number 19 at Temperature= 645.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83307 0.77692 -1.63260
force_rgl> df(natom) -1.98111 -1.52466 -1.33146
4505.0000 -109.32064 -105.98482 3.33581 2.10146 -106.16345 596.16970
4510.0000 -108.80884 -105.05368 3.75516 2.13910 -105.68719 621.52322
4515.0000 -109.02682 -105.69131 3.33551 2.17966 -105.17408 667.86203
4520.0000 -110.75960 -106.60593 4.15367 2.13545 -105.73338 625.92600
4525.0000 -109.02147 -105.50852 3.51295 2.10393 -106.13216 622.66191
4530.0000 -109.01987 -105.68542 3.33445 2.13879 -105.69114 635.81989
4535.0000 -109.06780 -105.18722 3.88058 2.11838 -105.94932 629.20406
4540.0000 -109.50341 -105.22045 4.28295 2.16934 -105.30458 636.93712
4545.0000 -108.82858 -105.39071 3.43787 2.18936 -105.05130 664.79841
4550.0000 -108.86787 -105.03190 3.83597 2.18740 -105.07614 658.78973
4555.0000 -108.82703 -105.45986 3.36716 2.15735 -105.45631 641.71067
4560.0000 -109.39031 -105.73794 3.65237 2.10031 -106.17791 603.65160
4565.0000 -109.83199 -106.53152 3.30047 2.05155 -106.79483 543.50336
4570.0000 -109.42313 -106.10382 3.31931 2.12196 -105.90406 591.76728
4575.0000 -109.74674 -105.21515 4.53159 2.10667 -106.09748 600.28020
4580.0000 -109.18983 -105.26024 3.92958 2.19190 -105.01924 708.07471
4585.0000 -108.55151 -104.77747 3.77404 2.19680 -104.95724 694.29162
4590.0000 -109.46811 -105.72710 3.74101 2.16527 -105.35615 664.05940
4595.0000 -108.74127 -104.25862 4.48265 2.20293 -104.87963 691.76361
4600.0000 -109.14516 -104.54140 4.60376 2.19202 -105.01774 682.01889
4605.0000 -109.10495 -105.75385 3.35110 2.17772 -105.19859 655.64632
4610.0000 -109.06591 -105.56998 3.49593 2.16071 -105.41382 639.78900
4615.0000 -110.15906 -106.11670 4.04236 2.12255 -105.89654 639.11223
4620.0000 -110.11662 -105.92753 4.18909 2.08400 -106.38428 609.92896
4625.0000 -109.99256 -107.16093 2.83163 2.09039 -106.30348 596.26071
4630.0000 -109.25209 -105.44583 3.80625 2.07899 -106.44764 600.23253
4635.0000 -109.99465 -105.85075 4.14389 2.17676 -105.21074 672.30118
4640.0000 -110.64312 -107.34480 3.29832 2.10418 -106.12903 633.10932
4645.0000 -109.97026 -106.30261 3.66765 2.00567 -107.37528 524.49116
4650.0000 -109.06875 -105.82467 3.24408 2.15112 -105.53514 629.47700
4655.0000 -109.26152 -104.72840 4.53312 2.15990 -105.42404 630.77965
4660.0000 -108.95943 -106.02183 2.93760 2.14314 -105.63614 631.55560
4665.0000 -109.17377 -105.73425 3.43952 2.08484 -106.37370 584.16784
4670.0000 -108.82655 -105.00176 3.82479 2.15377 -105.50154 666.24790
4675.0000 -109.52443 -105.23654 4.28789 2.16799 -105.32164 646.38715
4680.0000 -110.05596 -106.49321 3.56275 2.14992 -105.55031 642.61101
4685.0000 -110.60634 -106.62675 3.97959 2.03729 -106.97520 573.48025
4690.0000 -109.36698 -106.00981 3.35717 2.06042 -106.68265 585.57220
4695.0000 -108.90290 -105.10638 3.79652 2.12952 -105.80844 623.47411
4700.0000 -109.98921 -106.54164 3.44757 2.15946 -105.42966 662.70406
4705.0000 -108.51393 -105.59620 2.91773 2.14207 -105.64968 665.40597
4710.0000 -109.43494 -105.26992 4.16502 2.21267 -104.75637 689.39089
4715.0000 -109.05960 -105.33378 3.72582 2.17863 -105.18711 654.57313
4720.0000 -109.57506 -105.88092 3.69415 2.14363 -105.62985 644.95708
4725.0000 -108.89334 -104.95750 3.93585 2.11942 -105.93616 600.52318
4730.0000 -109.67465 -105.34152 4.33313 2.16013 -105.42113 665.60074
4735.0000 -109.51498 -106.64230 2.87268 2.11730 -105.96305 616.96190
4740.0000 -108.47827 -105.30181 3.17646 2.11861 -105.94647 621.89717
4745.0000 -108.75880 -105.10461 3.65419 2.15840 -105.44298 678.02976
4750.0000 -109.20006 -105.50938 3.69068 2.15574 -105.47666 645.32969
FREEZING PROCESS: loop number 20 T-loop= 620.00000000000000
main_MD> interactions number 20 at Temperature= 620.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91901 -1.49126 2.06630
force_rgl> df(natom) -0.72616 -0.56140 -0.83199
4755.0000 -108.88853 -105.36429 3.52424 2.10228 -106.15298 609.58680
4760.0000 -109.36867 -105.82530 3.54337 2.12271 -105.89449 614.65606
4765.0000 -109.31149 -105.61200 3.69949 2.16969 -105.30025 658.87976
4770.0000 -109.00128 -105.48401 3.51727 2.12231 -105.89957 619.38680
4775.0000 -108.36664 -105.33838 3.02827 2.15921 -105.43282 655.88737
4780.0000 -109.39188 -106.41908 2.97280 2.14531 -105.60857 604.34581
4785.0000 -109.87030 -106.00828 3.86202 2.12848 -105.82160 629.06544
4790.0000 -110.26340 -106.52274 3.74066 2.08704 -106.34579 627.22392
4795.0000 -110.08065 -107.42420 2.65645 2.05476 -106.75424 595.54432
4800.0000 -110.86302 -107.57794 3.28508 2.00858 -107.33842 544.54261
4805.0000 -110.15434 -105.83096 4.32338 2.05947 -106.69461 599.39387
4810.0000 -110.55311 -107.21998 3.33313 2.09505 -106.24447 626.30465
4815.0000 -109.50026 -106.34950 3.15076 2.05732 -106.72186 578.43234
4820.0000 -109.91357 -105.54794 4.36563 2.14536 -105.60796 679.93962
4825.0000 -108.77234 -105.10129 3.67105 2.14696 -105.58779 654.72615
4830.0000 -108.76596 -104.37084 4.39512 2.22864 -104.55440 725.75802
4835.0000 -109.25861 -106.15541 3.10320 2.19167 -105.02217 645.93044
4840.0000 -110.09397 -106.72518 3.36879 2.08299 -106.39709 570.09966
4845.0000 -110.05979 -106.61076 3.44903 2.05952 -106.69398 566.09122
4850.0000 -109.71805 -106.56818 3.14987 2.11003 -106.05496 607.97954
4855.0000 -109.58122 -106.08540 3.49582 2.14422 -105.62248 638.36018
4860.0000 -110.14858 -106.71180 3.43678 2.06364 -106.64184 549.68670
4865.0000 -109.93597 -106.28549 3.65048 2.07956 -106.44043 588.27831
4870.0000 -109.52738 -106.04517 3.48220 2.12463 -105.87030 613.34906
4875.0000 -110.06675 -106.73099 3.33576 2.08111 -106.42090 578.08209
4880.0000 -109.91966 -106.02369 3.89597 2.06751 -106.59291 596.66823
4885.0000 -108.78408 -105.82039 2.96370 2.09789 -106.20861 604.86755
4890.0000 -110.02749 -106.00055 4.02694 2.08989 -106.30976 628.84415
4895.0000 -109.39923 -105.50338 3.89585 2.14566 -105.60416 640.25287
4900.0000 -109.68890 -106.17802 3.51088 2.11073 -106.04609 617.32799
4905.0000 -110.00423 -106.38061 3.62362 2.12214 -105.90183 623.61199
4910.0000 -109.78945 -106.21629 3.57316 2.10272 -106.14744 568.64862
4915.0000 -108.83863 -106.13029 2.70834 2.13995 -105.67647 635.31944
4920.0000 -110.00404 -106.63508 3.36896 2.08749 -106.34014 597.14019
4925.0000 -109.38442 -106.03015 3.35427 2.11246 -106.02426 624.56984
4930.0000 -109.09385 -105.15574 3.93811 2.10149 -106.16303 616.04247
4935.0000 -109.79673 -105.75596 4.04078 2.15421 -105.49600 638.62547
4940.0000 -110.08984 -105.94670 4.14314 2.10057 -106.17463 624.51242
4945.0000 -109.76750 -105.64486 4.12265 2.11167 -106.03425 613.67340
4950.0000 -109.40713 -105.76599 3.64114 2.14983 -105.55144 660.61838
4955.0000 -109.95639 -107.02226 2.93413 2.10078 -106.17202 629.69544
4960.0000 -109.48503 -106.11584 3.36919 2.05469 -106.75512 557.20730
4965.0000 -109.33889 -106.13889 3.20001 2.11918 -105.93926 644.52350
4970.0000 -110.20408 -106.47739 3.72669 2.09377 -106.26069 628.26147
4975.0000 -109.80684 -106.15210 3.65474 2.10491 -106.11976 625.68098
4980.0000 -109.18015 -105.83603 3.34412 2.09307 -106.26950 614.82398
4985.0000 -110.39107 -105.69240 4.69867 2.13460 -105.74418 658.31147
4990.0000 -109.49315 -105.21980 4.27336 2.15238 -105.51919 670.68326
4995.0000 -109.48024 -104.97253 4.50771 2.17169 -105.27492 689.52020
5000.0000 -108.79798 -105.13652 3.66146 2.14326 -105.63451 639.19863
FREEZING PROCESS: loop number 21 T-loop= 595.00000000000000
main_MD> interactions number 21 at Temperature= 595.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.31851 -0.68140 1.11635
force_rgl> df(natom) -1.27620 -0.46553 0.80543
5005.0000 -109.99175 -106.40907 3.58268 2.09399 -106.25787 586.56526
5010.0000 -109.72528 -106.46194 3.26334 2.05388 -106.76536 555.90489
5015.0000 -109.80697 -105.29703 4.50994 2.08980 -106.31093 619.10567
5020.0000 -109.00426 -105.15207 3.85220 2.15574 -105.47662 669.59601
5025.0000 -109.23826 -106.04012 3.19814 2.12846 -105.82175 645.09371
5030.0000 -109.56641 -105.98961 3.57680 2.11914 -105.93973 592.18558
5035.0000 -109.65390 -106.08418 3.56972 2.08339 -106.39197 605.94305
5040.0000 -110.35905 -106.93404 3.42500 2.08463 -106.37628 617.65993
5045.0000 -109.67078 -106.22552 3.44527 2.05741 -106.72069 612.92424
5050.0000 -110.54824 -107.22776 3.32048 2.10687 -106.09498 646.03397
5055.0000 -110.30196 -107.11714 3.18482 2.02324 -107.15298 591.29195
5060.0000 -110.24183 -106.96279 3.27904 2.07558 -106.49084 622.84357
5065.0000 -110.52536 -107.47717 3.04819 2.03748 -106.97288 580.55994
5070.0000 -109.80625 -106.77897 3.02728 2.01518 -107.25502 527.56172
5075.0000 -109.17209 -105.54094 3.63115 2.14890 -105.56321 644.36698
5080.0000 -109.08338 -104.98634 4.09704 2.16126 -105.40685 653.12584
5085.0000 -109.44882 -106.08523 3.36359 2.18391 -105.12027 694.05100
5090.0000 -110.88779 -107.77605 3.11173 2.04603 -106.86461 569.62751
5095.0000 -109.18014 -105.18708 3.99306 2.07112 -106.54729 622.60396
5100.0000 -109.22945 -105.88659 3.34286 2.13510 -105.73782 670.89201
5105.0000 -109.72085 -106.42923 3.29162 2.08906 -106.32028 618.56995
5110.0000 -109.99552 -106.49654 3.49898 2.08829 -106.32999 631.61819
5115.0000 -110.80353 -106.92938 3.87415 2.04990 -106.81573 565.47950
5120.0000 -109.93062 -106.72060 3.21002 2.04568 -106.86916 572.85884
5125.0000 -109.80452 -105.88635 3.91817 2.05001 -106.81434 595.04800
5130.0000 -109.72917 -105.97306 3.75611 2.11026 -106.05203 618.21135
5135.0000 -109.24641 -105.13051 4.11590 2.12984 -105.80430 624.20863
5140.0000 -109.67535 -106.17504 3.50031 2.11688 -105.96831 615.12744
5145.0000 -110.08892 -106.37895 3.70996 2.08564 -106.36357 607.23681
5150.0000 -109.68755 -106.49017 3.19738 2.12974 -105.80565 656.82522
5155.0000 -110.35245 -106.22505 4.12740 2.11562 -105.98423 614.23956
5160.0000 -109.99265 -107.12706 2.86559 2.07665 -106.47733 592.85177
5165.0000 -109.99442 -107.17312 2.82129 2.02571 -107.12181 537.02393
5170.0000 -110.41930 -107.09221 3.32709 2.01306 -107.28174 535.81880
5175.0000 -109.34733 -106.40946 2.93787 2.05886 -106.70241 576.09000
5180.0000 -109.49160 -106.02051 3.47109 2.13377 -105.75467 644.79596
5185.0000 -109.98188 -106.17593 3.80595 2.10639 -106.10104 615.76382
5190.0000 -110.77223 -107.42946 3.34277 2.04154 -106.92150 551.62978
5195.0000 -109.80806 -106.48934 3.31872 2.09106 -106.29504 610.63148
5200.0000 -110.87584 -107.04505 3.83079 2.09740 -106.21471 640.68014
5205.0000 -110.26556 -106.96741 3.29815 2.00847 -107.33985 557.00543
5210.0000 -109.99977 -106.86991 3.12986 2.05579 -106.74116 598.43672
5215.0000 -110.59686 -107.02179 3.57506 2.02103 -107.18096 559.66969
5220.0000 -110.52812 -107.48467 3.04345 2.02205 -107.16810 542.84719
5225.0000 -110.62043 -106.68273 3.93771 2.01185 -107.29710 552.13452
5230.0000 -109.94244 -106.86312 3.07931 2.03513 -107.00254 572.13100
5235.0000 -108.81352 -105.37624 3.43728 2.12684 -105.84230 649.78081
5240.0000 -109.54875 -105.37468 4.17407 2.22893 -104.55076 718.25422
5245.0000 -109.89869 -106.34213 3.55656 2.11014 -106.05352 616.12850
5250.0000 -109.40230 -105.93223 3.47007 2.06831 -106.58274 577.10685
FREEZING PROCESS: loop number 22 T-loop= 570.00000000000000
main_MD> interactions number 22 at Temperature= 570.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22796 0.17647 0.00065
force_rgl> df(natom) 0.15159 -3.36133 -0.41203
5255.0000 -110.16270 -106.58677 3.57594 2.08206 -106.40887 602.29552
5260.0000 -110.03227 -106.67188 3.36038 2.06896 -106.57458 593.89959
5265.0000 -110.34569 -106.53240 3.81329 2.08114 -106.42050 578.59862
5270.0000 -110.18716 -106.85175 3.33541 2.05875 -106.70370 566.88243
5275.0000 -110.10391 -106.47327 3.63064 2.05331 -106.77251 575.16543
5280.0000 -110.20716 -106.93203 3.27512 2.03083 -107.05697 564.86400
5285.0000 -110.33273 -107.32758 3.00515 2.01191 -107.29629 554.63094
5290.0000 -109.66428 -106.07962 3.58466 2.04401 -106.89022 549.22238
5295.0000 -110.20958 -107.18019 3.02939 2.08115 -106.42030 583.38283
5300.0000 -109.79702 -105.94981 3.84722 2.05590 -106.73984 578.79024
5305.0000 -110.28250 -106.65657 3.62594 2.09530 -106.24134 601.84158
5310.0000 -108.72382 -105.28123 3.44259 2.13225 -105.77388 629.18868
5315.0000 -108.60002 -105.51706 3.08295 2.14977 -105.55222 622.57277
5320.0000 -109.52460 -106.18891 3.33569 2.14185 -105.65241 627.84512
5325.0000 -110.14378 -106.17124 3.97254 2.05407 -106.76296 574.54559
5330.0000 -110.72025 -107.39762 3.32262 2.06915 -106.57212 578.34701
5335.0000 -110.08332 -107.22169 2.86164 2.02166 -107.17294 533.60704
5340.0000 -110.40310 -107.44581 2.95729 2.01466 -107.26153 557.44539
5345.0000 -110.49807 -107.29259 3.20548 2.02788 -107.09430 555.05366
5350.0000 -110.05062 -106.64716 3.40346 2.03025 -107.06433 558.89182
5355.0000 -110.76881 -107.76907 2.99974 2.02358 -107.14864 565.14402
5360.0000 -110.72235 -108.07241 2.64995 1.99052 -107.56690 544.99836
5365.0000 -110.36510 -107.39900 2.96610 1.96944 -107.83370 497.39254
5370.0000 -110.24847 -106.67110 3.57738 2.02018 -107.19167 561.09799
5375.0000 -110.04193 -106.42061 3.62132 2.04513 -106.87609 589.18317
5380.0000 -110.34740 -106.96095 3.38645 2.04999 -106.81459 595.80296
5385.0000 -110.85310 -108.10394 2.74916 1.99162 -107.55309 557.29089
5390.0000 -110.68064 -107.78001 2.90062 1.97236 -107.79671 545.51629
5395.0000 -110.84078 -107.60403 3.23675 2.00719 -107.35607 568.56076
5400.0000 -110.65618 -107.65162 3.00457 1.97920 -107.71021 521.02728
5405.0000 -110.41524 -107.53960 2.87564 1.98727 -107.60802 547.95894
5410.0000 -110.63353 -107.88774 2.74579 1.98157 -107.68022 528.14104
5415.0000 -110.51389 -107.57545 2.93844 2.00043 -107.44155 537.06497
5420.0000 -110.78529 -107.27195 3.51333 1.98829 -107.59512 515.06872
5425.0000 -110.93790 -108.11852 2.81938 1.97230 -107.79751 497.08394
5430.0000 -110.58884 -106.98588 3.60296 1.96967 -107.83078 498.59354
5435.0000 -110.57817 -107.22408 3.35409 2.00127 -107.43097 567.48240
5440.0000 -110.08159 -106.07762 4.00397 2.01278 -107.28529 573.92562
5445.0000 -110.11200 -106.95193 3.16006 2.08133 -106.41811 598.19894
5450.0000 -109.12011 -106.13197 2.98814 2.08925 -106.31787 578.65027
5455.0000 -110.08030 -107.38733 2.69297 2.03937 -106.94891 561.99102
5460.0000 -110.13470 -107.34378 2.79092 2.02797 -107.09315 551.83684
5465.0000 -110.44427 -107.66821 2.77607 1.98109 -107.68632 512.97873
5470.0000 -110.06343 -107.37040 2.69303 2.00759 -107.35102 543.31107
5475.0000 -110.89670 -107.09175 3.80495 2.05300 -106.77652 588.36420
5480.0000 -110.38182 -107.40020 2.98161 2.01785 -107.22124 570.19634
5485.0000 -110.73382 -107.31805 3.41577 2.00882 -107.33549 567.14760
5490.0000 -109.87454 -106.45337 3.42117 2.04269 -106.90692 571.64986
5495.0000 -109.60458 -106.71483 2.88975 2.07065 -106.55320 559.78326
5500.0000 -110.73842 -106.60503 4.13338 2.06418 -106.63503 578.29371
FREEZING PROCESS: loop number 23 T-loop= 545.00000000000000
main_MD> interactions number 23 at Temperature= 545.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33588 -0.45915 -0.76257
force_rgl> df(natom) 2.27505 3.56073 1.77396
5505.0000 -109.99528 -106.02590 3.96938 2.05521 -106.74858 562.70971
5510.0000 -110.07659 -106.31710 3.75948 2.08273 -106.40038 601.94036
5515.0000 -109.91402 -106.23270 3.68132 2.08409 -106.38321 600.38880
5520.0000 -110.15081 -105.88253 4.26828 2.08178 -106.41244 608.31603
5525.0000 -110.11092 -106.89780 3.21312 2.07427 -106.50737 597.45213
5530.0000 -110.25167 -106.95418 3.29749 2.02518 -107.12841 536.04791
5535.0000 -110.64723 -107.48185 3.16538 1.98900 -107.58615 514.32190
5540.0000 -109.97246 -106.40238 3.57009 2.02325 -107.15286 563.43432
5545.0000 -110.80498 -107.25024 3.55474 2.04493 -106.87862 551.22355
5550.0000 -110.11866 -106.88202 3.23664 2.01505 -107.25658 557.93317
5555.0000 -110.17492 -107.09756 3.07735 2.00617 -107.36900 533.25087
5560.0000 -110.73189 -107.50672 3.22517 2.00265 -107.41349 549.05101
5565.0000 -110.98813 -108.51045 2.47768 1.91839 -108.47952 491.48281
5570.0000 -111.51940 -108.30888 3.21052 1.91874 -108.47505 487.68702
5575.0000 -110.68167 -108.25422 2.42745 1.91046 -108.57983 472.39843
5580.0000 -110.11584 -106.93255 3.18329 1.96794 -107.85265 526.11381
5585.0000 -110.14772 -107.08904 3.05868 2.04186 -106.91745 552.26910
5590.0000 -109.40578 -106.50921 2.89657 2.02023 -107.19108 538.45202
5595.0000 -110.28808 -107.02904 3.25904 2.04191 -106.91678 541.89492
5600.0000 -109.86288 -107.17175 2.69114 2.04802 -106.83950 578.52447
5605.0000 -110.82254 -107.82759 2.99495 2.00871 -107.33682 535.21183
5610.0000 -110.51727 -107.61364 2.90364 1.99586 -107.49939 532.75115
5615.0000 -110.15292 -106.80478 3.34813 2.06591 -106.61314 564.57037
5620.0000 -110.45610 -107.70343 2.75267 2.03150 -107.04848 526.76221
5625.0000 -110.55460 -107.41011 3.14448 2.02617 -107.11597 545.60245
5630.0000 -110.40400 -106.81646 3.58754 2.01355 -107.27563 519.04847
5635.0000 -109.90969 -106.63562 3.27407 2.10745 -106.08765 622.91392
5640.0000 -110.23742 -106.89848 3.33895 2.06404 -106.63681 588.21553
5645.0000 -110.23884 -107.29098 2.94786 1.99272 -107.53915 518.06567
5650.0000 -110.02493 -107.11768 2.90725 2.02460 -107.13585 530.64549
5655.0000 -110.56225 -107.47237 3.08988 2.02259 -107.16123 551.86516
5660.0000 -109.87338 -106.01292 3.86046 2.05456 -106.75671 590.73078
5665.0000 -110.48427 -106.92578 3.55850 2.07198 -106.53631 600.40337
5670.0000 -109.62188 -106.46705 3.15482 2.05640 -106.73348 572.60483
5675.0000 -110.34146 -107.10378 3.23768 2.04298 -106.90329 583.44227
5680.0000 -109.85774 -106.52395 3.33379 2.05145 -106.79611 588.22261
5685.0000 -110.27992 -107.46356 2.81636 2.00622 -107.36835 529.13977
5690.0000 -110.55055 -107.74166 2.80889 1.97313 -107.78703 500.19134
5695.0000 -110.36690 -107.48979 2.87711 2.00709 -107.35738 541.52051
5700.0000 -109.27835 -106.02958 3.24877 2.03472 -107.00771 535.44059
5705.0000 -110.20731 -106.96554 3.24177 2.08307 -106.39606 588.39551
5710.0000 -110.47049 -107.14074 3.32975 2.04048 -106.93494 567.24876
5715.0000 -110.00523 -107.58466 2.42057 1.98515 -107.63493 521.40206
5720.0000 -109.91743 -106.87890 3.03853 2.00253 -107.41505 551.27461
5725.0000 -110.55150 -107.58384 2.96766 2.01062 -107.31261 524.72979
5730.0000 -110.13758 -106.97721 3.16038 2.03730 -106.97515 513.12570
5735.0000 -110.09936 -107.40538 2.69398 1.98476 -107.63981 516.52080
5740.0000 -110.72465 -107.28503 3.43962 1.98447 -107.64353 517.45551
5745.0000 -110.40001 -107.41722 2.98279 2.00651 -107.36463 516.14873
5750.0000 -110.59573 -107.44633 3.14941 2.02222 -107.16596 547.87399
FREEZING PROCESS: loop number 24 T-loop= 520.00000000000000
main_MD> interactions number 24 at Temperature= 520.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65640 -1.00402 -0.62963
force_rgl> df(natom) -0.03946 0.71993 2.09481
5755.0000 -111.07038 -107.71289 3.35749 1.99815 -107.47037 530.09097
5760.0000 -110.28841 -107.17109 3.11732 1.98520 -107.63427 517.34066
5765.0000 -110.52181 -107.18192 3.33989 2.01996 -107.19446 534.89029
5770.0000 -110.52152 -108.09735 2.42418 2.00239 -107.41676 540.07720
5775.0000 -111.20213 -108.16071 3.04142 1.91009 -108.58450 459.13086
5780.0000 -111.08532 -107.83100 3.25432 1.98984 -107.57556 528.85001
5785.0000 -110.38494 -106.83858 3.54636 2.00457 -107.38923 532.79291
5790.0000 -110.93418 -107.57677 3.35742 2.00736 -107.35389 550.66445
5795.0000 -110.82177 -107.86666 2.95510 1.95094 -108.06767 479.10129
5800.0000 -110.27003 -107.61237 2.65766 1.98802 -107.59857 534.88349
5805.0000 -110.00810 -106.58517 3.42293 2.06626 -106.60874 579.30793
5810.0000 -110.85522 -107.98102 2.87421 2.01225 -107.29208 532.56189
5815.0000 -110.25741 -107.49678 2.76063 1.98564 -107.62865 483.27095
5820.0000 -110.48562 -107.41617 3.06945 1.96334 -107.91076 475.41442
5825.0000 -111.51894 -108.14169 3.37725 1.96759 -107.85705 509.85424
5830.0000 -111.06613 -108.01359 3.05254 1.95889 -107.96718 523.45320
5835.0000 -110.76233 -108.17160 2.59073 1.96034 -107.94883 525.81679
5840.0000 -111.52965 -108.49122 3.03844 1.95443 -108.02359 524.84402
5845.0000 -111.59988 -108.42195 3.17793 1.93186 -108.30914 529.74556
5850.0000 -111.18199 -108.69947 2.48252 1.91636 -108.50516 494.52348
5855.0000 -110.70373 -108.09077 2.61296 1.94021 -108.20349 505.23298
5860.0000 -111.49923 -108.35713 3.14210 1.94034 -108.20183 516.96617
5865.0000 -111.19325 -108.36626 2.82699 1.96042 -107.94778 527.10991
5870.0000 -110.57155 -106.97895 3.59261 2.00351 -107.40260 565.50258
5875.0000 -110.28615 -107.45492 2.83123 2.01140 -107.30280 538.01553
5880.0000 -110.67915 -106.79202 3.88714 2.02973 -107.07087 552.34287
5885.0000 -110.68891 -107.50837 3.18054 2.03352 -107.02297 562.24288
5890.0000 -110.14253 -107.58152 2.56102 1.94045 -108.20036 468.37664
5895.0000 -109.48760 -107.00018 2.48742 2.01667 -107.23612 533.50546
5900.0000 -110.94487 -107.04087 3.90400 2.02054 -107.18713 545.19318
5905.0000 -109.98508 -106.35528 3.62980 2.05485 -106.75311 599.44075
5910.0000 -110.40667 -106.94103 3.46565 2.07442 -106.50553 620.90004
5915.0000 -110.08581 -107.51758 2.56823 2.01294 -107.28337 523.46955
5920.0000 -111.36431 -108.50659 2.85772 1.97268 -107.79267 500.85748
5925.0000 -111.28881 -108.15445 3.13436 1.93173 -108.31079 473.98824
5930.0000 -110.74811 -108.23785 2.51026 1.93701 -108.24396 494.80157
5935.0000 -110.76770 -107.69075 3.07695 1.94879 -108.09490 502.46312
5940.0000 -111.27546 -108.39748 2.87798 1.92027 -108.45575 476.37622
5945.0000 -110.72410 -107.85769 2.86642 1.94408 -108.15444 474.22659
5950.0000 -111.24542 -107.90357 3.34185 1.97323 -107.78572 515.69238
5955.0000 -111.08360 -108.37082 2.71278 1.91688 -108.49859 472.00059
5960.0000 -110.71047 -107.98473 2.72574 1.95067 -108.07107 507.93293
5965.0000 -111.42959 -108.71702 2.71256 1.92446 -108.40274 488.70909
5970.0000 -111.34196 -108.15484 3.18712 1.92433 -108.40430 476.24640
5975.0000 -111.71063 -108.73226 2.97837 1.90149 -108.69329 478.89433
5980.0000 -111.40000 -108.64341 2.75659 1.90235 -108.68238 472.21601
5985.0000 -111.12928 -108.35109 2.77819 1.91499 -108.52259 475.61150
5990.0000 -110.71991 -108.19955 2.52036 1.93873 -108.22219 483.56339
5995.0000 -110.40595 -107.58158 2.82436 2.01382 -107.27223 544.73422
6000.0000 -110.40378 -107.17593 3.22785 2.01688 -107.23342 535.66964
FREEZING PROCESS: loop number 25 T-loop= 495.00000000000000
main_MD> interactions number 25 at Temperature= 495.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00673 0.84362 -1.77119
force_rgl> df(natom) 3.07093 0.22567 -1.17935
6005.0000 -110.22097 -107.06698 3.15400 2.02182 -107.17091 543.52274
6010.0000 -110.27651 -107.97365 2.30286 2.00512 -107.38231 524.20972
6015.0000 -110.33012 -107.57632 2.75380 1.95481 -108.01874 490.83612
6020.0000 -110.97058 -108.01547 2.95511 1.98487 -107.63845 499.15183
6025.0000 -110.76076 -107.82241 2.93835 1.98001 -107.69989 513.68189
6030.0000 -110.44833 -107.44856 2.99978 2.00639 -107.36612 550.11584
6035.0000 -111.23646 -108.57487 2.66158 1.99943 -107.45429 550.45508
6040.0000 -111.14626 -107.94386 3.20239 1.96013 -107.95146 506.33844
6045.0000 -110.43107 -108.17224 2.25884 1.95490 -108.01756 513.24484
6050.0000 -110.75661 -107.63100 3.12562 1.94029 -108.20247 477.80114
6055.0000 -110.66577 -108.13782 2.52796 1.95524 -108.01326 486.89077
6060.0000 -111.26199 -108.04574 3.21625 1.96652 -107.87055 527.23960
6065.0000 -110.43343 -107.93575 2.49769 1.96785 -107.85382 501.38589
6070.0000 -110.58886 -107.90954 2.67932 1.96033 -107.94893 492.84438
6075.0000 -110.70601 -107.23036 3.47565 1.99611 -107.49617 517.27116
6080.0000 -110.69225 -107.41697 3.27528 2.01050 -107.31419 566.63161
6085.0000 -111.84780 -108.32666 3.52114 1.97149 -107.80778 508.66339
6090.0000 -110.02962 -107.56356 2.46607 1.95910 -107.96442 476.63050
6095.0000 -110.73560 -106.70273 4.03287 1.99110 -107.55958 507.03372
6100.0000 -110.64304 -107.26039 3.38265 2.04098 -106.92860 561.87707
6105.0000 -110.61124 -107.81868 2.79256 1.99215 -107.54627 534.85737
6110.0000 -110.70640 -108.08395 2.62245 1.94312 -108.16662 481.99145
6115.0000 -111.15520 -108.60309 2.55211 1.91162 -108.56518 453.48001
6120.0000 -111.24425 -108.00095 3.24330 1.91983 -108.46128 462.58529
6125.0000 -110.21118 -107.69815 2.51303 1.97180 -107.80375 523.18125
6130.0000 -110.90788 -108.18232 2.72556 1.96870 -107.84297 514.02756
6135.0000 -111.84230 -108.46873 3.37357 1.94827 -108.10143 479.28057
6140.0000 -110.90211 -108.73538 2.16673 1.91627 -108.50631 466.53370
6145.0000 -110.93633 -107.80740 3.12893 1.95964 -107.95763 499.27547
6150.0000 -109.36735 -106.99499 2.37235 1.97035 -107.82219 490.35809
6155.0000 -110.81874 -107.96713 2.85161 1.98696 -107.61196 498.41198
6160.0000 -110.89914 -107.68900 3.21014 1.97938 -107.70794 498.64457
6165.0000 -110.92808 -107.79110 3.13698 1.99222 -107.54543 513.48034
6170.0000 -110.87075 -107.42787 3.44287 2.00726 -107.35522 539.64782
6175.0000 -110.08577 -107.00523 3.08054 2.00890 -107.33444 519.50749
6180.0000 -110.37222 -107.49152 2.88070 2.02024 -107.19101 542.60228
6185.0000 -111.14852 -108.15675 2.99177 1.95829 -107.97477 504.04755
6190.0000 -110.48468 -107.68450 2.80019 1.94584 -108.13223 489.80995
6195.0000 -111.53628 -107.61049 3.92579 1.99339 -107.53067 532.55481
6200.0000 -110.96058 -107.77905 3.18153 1.97020 -107.82408 513.96814
6205.0000 -110.60521 -107.42906 3.17615 1.98021 -107.69736 499.94273
6210.0000 -111.05749 -108.61584 2.44165 1.95821 -107.97576 502.52742
6215.0000 -111.14403 -108.30175 2.84229 1.93827 -108.22795 481.53650
6220.0000 -111.24734 -108.45852 2.78882 1.94694 -108.11833 506.95418
6225.0000 -110.08658 -106.77741 3.30917 1.99966 -107.45129 544.00500
6230.0000 -110.37007 -107.68352 2.68656 2.02702 -107.10518 564.70163
6235.0000 -110.94093 -108.61184 2.32909 1.92800 -108.35789 455.12496
6240.0000 -111.00538 -108.15650 2.84888 1.92636 -108.37865 472.51853
6245.0000 -111.86455 -108.67631 3.18824 1.92205 -108.43322 486.43010
6250.0000 -110.57984 -108.32906 2.25078 1.92252 -108.42730 462.95165
FREEZING PROCESS: loop number 26 T-loop= 470.00000000000000
main_MD> interactions number 26 at Temperature= 470.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30317 1.65774 2.17510
force_rgl> df(natom) 2.21052 1.50640 2.01437
6255.0000 -111.53798 -109.17310 2.36488 1.88542 -108.89663 433.34176
6260.0000 -111.27636 -108.47848 2.79788 1.89385 -108.78996 451.75032
6265.0000 -110.70250 -107.44038 3.26212 1.97255 -107.79434 521.65976
6270.0000 -110.69188 -108.37386 2.31801 1.93368 -108.28608 480.49727
6275.0000 -110.75634 -108.34398 2.41236 1.91323 -108.54485 448.01919
6280.0000 -110.71778 -108.25051 2.46727 1.91377 -108.53793 477.98642
6285.0000 -111.81743 -109.76862 2.04881 1.88120 -108.94998 436.91969
6290.0000 -110.94992 -107.98564 2.96428 1.86668 -109.13366 426.03378
6295.0000 -111.20617 -107.86428 3.34189 1.92005 -108.45855 482.92559
6300.0000 -111.68367 -108.52570 3.15798 1.92624 -108.38015 480.57865
6305.0000 -110.39800 -107.47536 2.92263 1.94375 -108.15864 507.46389
6310.0000 -110.82848 -108.08816 2.74032 1.96408 -107.90152 513.92286
6315.0000 -111.02074 -108.43065 2.59009 1.89815 -108.73555 456.23197
6320.0000 -111.09581 -108.49947 2.59634 1.91683 -108.49924 464.09363
6325.0000 -111.51349 -108.46805 3.04544 1.92035 -108.45468 468.64748
6330.0000 -111.63967 -109.12968 2.50999 1.89427 -108.78469 455.34553
6335.0000 -111.23501 -108.36319 2.87182 1.89522 -108.77261 462.55591
6340.0000 -111.50763 -109.01525 2.49238 1.88474 -108.90525 443.10895
6345.0000 -111.35881 -108.69383 2.66498 1.88378 -108.91739 412.93970
6350.0000 -110.84650 -108.50740 2.33910 1.91161 -108.56525 464.44973
6355.0000 -111.47964 -108.94783 2.53182 1.91863 -108.47652 451.37733
6360.0000 -111.31918 -108.08782 3.23136 1.92778 -108.36071 447.95842
6365.0000 -111.12667 -108.42625 2.70042 1.94058 -108.19874 482.69079
6370.0000 -111.14140 -107.95569 3.18570 1.95242 -108.04902 505.92776
6375.0000 -111.12052 -108.54329 2.57723 1.94329 -108.16447 479.58257
6380.0000 -110.38652 -107.58391 2.80262 1.95182 -108.05654 465.64336
6385.0000 -110.04379 -107.36776 2.67603 1.99349 -107.52943 511.17278
6390.0000 -111.01188 -108.05668 2.95520 1.99068 -107.56495 530.21379
6395.0000 -111.30137 -108.06973 3.23163 1.92387 -108.41017 482.52044
6400.0000 -111.44365 -108.58251 2.86114 1.95041 -108.07436 502.36809
6405.0000 -111.58284 -108.49526 3.08758 1.92398 -108.40881 448.82923
6410.0000 -110.92710 -108.30528 2.62183 1.93889 -108.22020 485.72385
6415.0000 -110.91895 -107.98064 2.93831 1.95630 -107.99995 508.49678
6420.0000 -111.42886 -108.61049 2.81837 1.92569 -108.38718 477.96915
6425.0000 -111.49681 -109.06430 2.43251 1.86282 -109.18260 443.45589
6430.0000 -111.49270 -109.33420 2.15850 1.89549 -108.76919 470.84300
6435.0000 -111.88223 -108.82514 3.05709 1.86894 -109.10514 452.89770
6440.0000 -111.05910 -108.28645 2.77266 1.91443 -108.52966 502.23734
6445.0000 -111.68485 -108.66285 3.02200 1.93247 -108.30143 500.80489
6450.0000 -111.43411 -109.43009 2.00402 1.86791 -109.11813 434.41336
6455.0000 -111.96483 -109.38896 2.57587 1.88901 -108.85121 456.81317
6460.0000 -111.02252 -108.48212 2.54041 1.88184 -108.94192 449.65518
6465.0000 -110.93133 -108.52136 2.40997 1.90045 -108.70652 462.32906
6470.0000 -111.70445 -109.07317 2.63128 1.90204 -108.68641 473.17419
6475.0000 -111.15341 -108.36386 2.78955 1.90632 -108.63227 477.92355
6480.0000 -111.72930 -109.33973 2.38956 1.88929 -108.84770 464.81550
6485.0000 -111.40672 -109.07976 2.32696 1.87048 -109.08562 453.82108
6490.0000 -111.82254 -109.48070 2.34184 1.87344 -109.04814 447.76549
6495.0000 -111.07794 -109.01650 2.06144 1.86510 -109.15366 431.51894
6500.0000 -111.52921 -108.67206 2.85715 1.91737 -108.49238 482.51028
FREEZING PROCESS: loop number 27 T-loop= 445.00000000000000
main_MD> interactions number 27 at Temperature= 445.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20655 -0.45844 2.07342
force_rgl> df(natom) -0.63515 -0.27496 1.78509
6505.0000 -111.20669 -108.51240 2.69429 1.91217 -108.55817 446.61982
6510.0000 -110.88658 -108.84531 2.04128 1.88827 -108.86052 423.89451
6515.0000 -111.18962 -108.91309 2.27653 1.86299 -109.18046 402.61802
6520.0000 -111.00230 -108.31145 2.69085 1.87608 -109.01477 412.40652
6525.0000 -112.04560 -109.40941 2.63619 1.88381 -108.91696 422.72058
6530.0000 -110.64565 -108.28029 2.36536 1.93658 -108.24944 469.69446
6535.0000 -110.78495 -108.46621 2.31874 1.92214 -108.43210 451.89303
6540.0000 -110.85568 -108.34425 2.51142 1.90702 -108.62330 440.91571
6545.0000 -110.78212 -107.43503 3.34709 1.99669 -107.48892 531.02917
6550.0000 -111.19196 -108.53229 2.65967 1.95140 -108.06183 504.84585
6555.0000 -111.16826 -108.15535 3.01291 1.94040 -108.20103 473.75870
6560.0000 -111.86109 -108.99974 2.86135 1.90346 -108.66834 452.24073
6565.0000 -111.12029 -108.73987 2.38042 1.90485 -108.65082 441.57783
6570.0000 -110.59030 -107.97466 2.61564 1.91800 -108.48447 437.87968
6575.0000 -111.05847 -108.05782 3.00065 1.93776 -108.23447 457.39622
6580.0000 -110.63854 -107.73707 2.90147 1.94994 -108.08033 461.69542
6585.0000 -111.34305 -108.50631 2.83674 1.94409 -108.15439 482.02502
6590.0000 -111.20315 -108.47118 2.73197 1.90741 -108.61846 460.33632
6595.0000 -110.85603 -108.27108 2.58495 1.94290 -108.16945 488.42648
6600.0000 -111.05088 -107.68464 3.36623 1.95490 -108.01760 485.64762
6605.0000 -110.80555 -107.95677 2.84878 1.98852 -107.59227 551.57976
6610.0000 -111.43154 -108.64946 2.78208 1.92860 -108.35031 493.04477
6615.0000 -111.28750 -108.64878 2.63872 1.89704 -108.74961 474.15947
6620.0000 -111.53582 -109.50956 2.02626 1.86348 -109.17424 441.72992
6625.0000 -112.07086 -109.14392 2.92695 1.84889 -109.35873 430.37888
6630.0000 -111.51801 -109.02219 2.49582 1.89135 -108.82159 457.16929
6635.0000 -111.76396 -109.56483 2.19913 1.82973 -109.60117 398.96807
6640.0000 -111.77460 -108.95618 2.81842 1.86369 -109.17154 432.36194
6645.0000 -111.52265 -108.82911 2.69353 1.86043 -109.21278 441.84595
6650.0000 -111.82870 -109.19605 2.63265 1.88097 -108.95291 463.39918
6655.0000 -111.68551 -109.21087 2.47464 1.86703 -109.12927 453.93523
6660.0000 -112.22160 -109.97288 2.24872 1.84636 -109.39076 427.37751
6665.0000 -112.20614 -109.87871 2.32743 1.80605 -109.90074 392.81144
6670.0000 -111.87679 -109.65237 2.22442 1.82018 -109.72205 412.15544
6675.0000 -111.46246 -109.05395 2.40850 1.82989 -109.59912 414.10243
6680.0000 -111.68171 -108.84737 2.83434 1.89646 -108.75698 483.30260
6685.0000 -112.45402 -109.74583 2.70819 1.84871 -109.36109 429.17884
6690.0000 -111.78856 -109.38025 2.40831 1.84497 -109.40843 432.92030
6695.0000 -111.90848 -109.42868 2.47980 1.84870 -109.36120 427.04737
6700.0000 -112.00810 -109.25872 2.74938 1.83500 -109.53457 421.12436
6705.0000 -112.32388 -109.58808 2.73580 1.83833 -109.49233 437.64731
6710.0000 -111.93668 -109.72057 2.21611 1.84980 -109.34723 432.58263
6715.0000 -112.03652 -109.81669 2.21983 1.83362 -109.55199 418.25204
6720.0000 -111.54233 -109.58508 1.95725 1.82921 -109.60783 417.26970
6725.0000 -112.02945 -109.39064 2.63882 1.85201 -109.31928 432.19797
6730.0000 -111.66294 -109.12252 2.54043 1.85128 -109.32851 412.36713
6735.0000 -111.16570 -108.33267 2.83303 1.89144 -108.82051 429.20782
6740.0000 -111.34637 -108.84492 2.50145 1.90467 -108.65311 437.54997
6745.0000 -110.96497 -108.03605 2.92892 1.91766 -108.48873 446.89722
6750.0000 -110.91458 -108.74219 2.17239 1.92290 -108.42245 452.58868
FREEZING PROCESS: loop number 28 T-loop= 420.00000000000000
main_MD> interactions number 28 at Temperature= 420.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01860 -1.42206 0.00068
force_rgl> df(natom) 0.19383 -1.34022 -1.45254
6755.0000 -111.05434 -108.55361 2.50074 1.88140 -108.94744 389.04290
6760.0000 -111.00931 -108.53985 2.46946 1.90786 -108.61277 426.49865
6765.0000 -110.96605 -108.90779 2.05826 1.89139 -108.82116 431.13546
6770.0000 -111.13217 -108.61922 2.51294 1.91581 -108.51214 464.94739
6775.0000 -111.54595 -109.54033 2.00562 1.87157 -109.07189 420.51894
6780.0000 -111.06931 -108.53078 2.53852 1.89398 -108.78832 450.64201
6785.0000 -111.25248 -109.16129 2.09119 1.87080 -109.08161 417.41200
6790.0000 -111.32421 -109.34235 1.98186 1.84473 -109.41137 398.76100
6795.0000 -112.03861 -108.97879 3.05982 1.87439 -109.03615 423.91549
6800.0000 -111.20541 -108.14085 3.06456 1.89656 -108.75572 444.07192
6805.0000 -111.43516 -108.95901 2.47615 1.89059 -108.83116 437.68529
6810.0000 -111.98029 -109.35119 2.62910 1.85088 -109.33355 403.67198
6815.0000 -111.39608 -108.95591 2.44017 1.87553 -109.02176 426.54362
6820.0000 -110.53704 -108.43994 2.09710 1.90738 -108.61881 447.46229
6825.0000 -111.52278 -109.07089 2.45188 1.92142 -108.44123 455.37831
6830.0000 -111.69485 -108.99483 2.70002 1.86776 -109.12006 410.37447
6835.0000 -111.88262 -108.90874 2.97389 1.88067 -108.95678 436.46868
6840.0000 -112.14542 -109.53298 2.61245 1.85720 -109.25362 437.97941
6845.0000 -111.90489 -108.85998 3.04491 1.86027 -109.21485 453.77158
6850.0000 -111.58630 -109.31931 2.26699 1.85344 -109.30126 421.23058
6855.0000 -111.79060 -108.71517 3.07543 1.85059 -109.33730 398.72340
6860.0000 -111.41090 -109.35625 2.05465 1.85827 -109.24017 395.66604
6865.0000 -111.89491 -109.74540 2.14951 1.84400 -109.42065 409.90415
6870.0000 -112.20541 -109.74595 2.45946 1.81415 -109.79824 388.77031
6875.0000 -111.78045 -109.69786 2.08260 1.82232 -109.69498 400.92297
6880.0000 -112.20289 -109.95888 2.24401 1.79999 -109.97743 378.16057
6885.0000 -111.45814 -109.41986 2.03829 1.82939 -109.60554 409.91817
6890.0000 -111.92473 -109.09848 2.82625 1.84731 -109.37882 414.43725
6895.0000 -111.19358 -109.09893 2.09465 1.85952 -109.22433 433.61768
6900.0000 -111.46363 -109.21141 2.25222 1.87612 -109.01423 423.69679
6905.0000 -111.93684 -109.53364 2.40320 1.86184 -109.19492 429.70021
6910.0000 -112.02511 -109.74171 2.28340 1.83462 -109.53936 412.85999
6915.0000 -111.83460 -109.69026 2.14434 1.84140 -109.45350 405.88795
6920.0000 -111.95972 -109.74645 2.21327 1.83745 -109.50349 395.10256
6925.0000 -111.98489 -109.53990 2.44499 1.80559 -109.90658 364.98860
6930.0000 -111.75784 -109.65232 2.10552 1.83674 -109.51250 406.36104
6935.0000 -112.02289 -109.82291 2.19998 1.84030 -109.46751 410.33975
6940.0000 -112.00975 -109.90704 2.10271 1.80417 -109.92454 375.72923
6945.0000 -112.15166 -109.53029 2.62137 1.83802 -109.49630 408.65710
6950.0000 -112.21543 -109.72650 2.48893 1.84471 -109.41172 408.83854
6955.0000 -111.85845 -109.42176 2.43668 1.80960 -109.85588 369.93434
6960.0000 -111.54663 -108.93424 2.61239 1.85293 -109.30766 416.88677
6965.0000 -111.03628 -109.10068 1.93560 1.88456 -108.90752 444.25845
6970.0000 -111.21531 -109.02547 2.18984 1.88605 -108.88860 413.92146
6975.0000 -111.07670 -108.52330 2.55340 1.88184 -108.94186 401.67757
6980.0000 -110.91462 -108.31587 2.59874 1.92441 -108.40330 436.09230
6985.0000 -111.13468 -108.11236 3.02232 1.96491 -107.89100 467.73652
6990.0000 -110.96092 -108.01494 2.94599 1.93788 -108.23291 459.72476
6995.0000 -110.92512 -108.42505 2.50007 1.91883 -108.47399 444.59416
7000.0000 -111.97431 -109.46017 2.51414 1.85415 -109.29220 396.40606
FREEZING PROCESS: loop number 29 T-loop= 395.00000000000000
main_MD> interactions number 29 at Temperature= 395.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.37551 1.01588 2.38313
force_rgl> df(natom) -1.73783 -0.25486 2.61738
7005.0000 -111.86399 -109.17321 2.69078 1.86051 -109.21175 416.14811
7010.0000 -111.94064 -109.36921 2.57143 1.86514 -109.15323 429.43418
7015.0000 -112.08850 -109.39124 2.69726 1.87134 -109.07480 418.80394
7020.0000 -112.10273 -109.76677 2.33597 1.80905 -109.86278 359.87895
7025.0000 -112.35668 -110.25985 2.09683 1.79815 -110.00077 355.73342
7030.0000 -111.27535 -109.40749 1.86786 1.80661 -109.89375 355.32229
7035.0000 -111.19640 -109.01406 2.18235 1.89341 -108.79557 434.87695
7040.0000 -111.66369 -109.22193 2.44176 1.85831 -109.23959 409.17420
7045.0000 -111.14902 -109.46713 1.68189 1.84568 -109.39943 378.02612
7050.0000 -111.74895 -109.76312 1.98584 1.84135 -109.45423 379.29940
7055.0000 -111.87872 -109.33654 2.54218 1.84029 -109.46762 367.91136
7060.0000 -111.00192 -109.32743 1.67448 1.85773 -109.24693 396.69489
7065.0000 -111.50315 -109.44897 2.05418 1.84394 -109.42144 381.68416
7070.0000 -111.99302 -109.27669 2.71633 1.85335 -109.30236 383.48999
7075.0000 -111.34025 -109.30447 2.03578 1.87080 -109.08160 399.01111
7080.0000 -111.65521 -109.55665 2.09856 1.84269 -109.43720 378.36375
7085.0000 -112.06462 -109.52228 2.54234 1.85944 -109.22528 403.02735
7090.0000 -112.21292 -110.28038 1.93254 1.81884 -109.73900 393.14679
7095.0000 -111.96626 -109.91118 2.05508 1.77810 -110.25439 358.89730
7100.0000 -111.91156 -109.35954 2.55202 1.83335 -109.55534 413.86897
7105.0000 -111.92132 -109.17253 2.74879 1.83851 -109.49006 409.79899
7110.0000 -112.17650 -109.60638 2.57012 1.84292 -109.43432 428.54642
7115.0000 -112.02294 -109.65382 2.36912 1.83242 -109.56713 428.60640
7120.0000 -111.71525 -109.40985 2.30541 1.84294 -109.43402 430.79619
7125.0000 -111.65088 -109.10188 2.54901 1.86755 -109.12270 450.26067
7130.0000 -112.49557 -109.75012 2.74545 1.85101 -109.33191 440.48310
7135.0000 -112.32211 -110.05404 2.26807 1.78836 -110.12456 382.43715
7140.0000 -112.38440 -110.31263 2.07177 1.76284 -110.44746 351.99445
7145.0000 -112.48297 -109.65120 2.83178 1.80476 -109.91713 388.40241
7150.0000 -112.08601 -109.75273 2.33328 1.81783 -109.75169 394.71987
7155.0000 -112.32530 -109.82444 2.50085 1.81971 -109.72795 409.18586
7160.0000 -112.03127 -110.00183 2.02944 1.79199 -110.07871 386.05468
7165.0000 -111.46694 -109.41959 2.04736 1.82068 -109.71564 399.08504
7170.0000 -112.37467 -110.19897 2.17570 1.81638 -109.77013 392.15233
7175.0000 -111.94274 -109.40028 2.54245 1.80465 -109.91853 386.54297
7180.0000 -112.18071 -109.61474 2.56598 1.84351 -109.42680 416.67279
7185.0000 -112.61115 -110.06909 2.54206 1.80487 -109.91571 393.71697
7190.0000 -112.38476 -109.97429 2.41047 1.80308 -109.93840 395.09829
7195.0000 -112.15571 -109.79826 2.35745 1.81805 -109.74896 397.55144
7200.0000 -112.07856 -109.86576 2.21279 1.80659 -109.89396 373.85792
7205.0000 -112.34554 -110.47595 1.86959 1.79001 -110.10366 361.17035
7210.0000 -112.68129 -110.48313 2.19816 1.75632 -110.52995 335.99560
7215.0000 -112.12372 -109.89375 2.22998 1.77068 -110.34821 351.44460
7220.0000 -112.50432 -110.17724 2.32708 1.81109 -109.83700 402.04221
7225.0000 -111.80883 -109.55828 2.25055 1.79169 -110.08246 377.17162
7230.0000 -112.19880 -109.46546 2.73333 1.84760 -109.37507 437.76745
7235.0000 -111.96931 -109.50929 2.46003 1.83098 -109.58535 413.56795
7240.0000 -111.76280 -109.18897 2.57383 1.83834 -109.49226 409.52696
7245.0000 -111.73018 -108.97355 2.75664 1.86786 -109.11873 431.29064
7250.0000 -111.87037 -108.95324 2.91713 1.84875 -109.36052 412.81755
FREEZING PROCESS: loop number 30 T-loop= 370.00000000000000
main_MD> interactions number 30 at Temperature= 370.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.66701 2.25926 -0.33752
force_rgl> df(natom) -0.87655 -1.36396 -0.38368
7255.0000 -112.15266 -109.66781 2.48485 1.85687 -109.25786 435.19590
7260.0000 -112.49421 -110.16140 2.33281 1.80696 -109.88927 396.86992
7265.0000 -112.21574 -110.26274 1.95299 1.78346 -110.18653 371.71459
7270.0000 -112.54049 -110.42855 2.11194 1.78574 -110.15767 371.77384
7275.0000 -112.65581 -110.70463 1.95118 1.78066 -110.22204 369.19098
7280.0000 -112.49049 -110.34759 2.14290 1.76808 -110.38115 356.73782
7285.0000 -112.02824 -109.84252 2.18572 1.80655 -109.89442 380.64755
7290.0000 -112.50341 -110.16370 2.33971 1.79678 -110.01807 361.25644
7295.0000 -111.62847 -109.66985 1.95862 1.79392 -110.05421 366.72428
7300.0000 -112.34645 -110.57742 1.76903 1.75879 -110.49867 327.82349
7305.0000 -112.23731 -110.20351 2.03380 1.76771 -110.38589 344.36500
7310.0000 -112.24253 -109.82481 2.41772 1.78957 -110.10928 370.96584
7315.0000 -112.21550 -110.04811 2.16739 1.79590 -110.02913 364.80887
7320.0000 -112.72329 -110.73942 1.98387 1.75765 -110.51317 336.98970
7325.0000 -112.66602 -110.62383 2.04219 1.73824 -110.75871 314.67077
7330.0000 -112.30494 -109.98837 2.31657 1.78777 -110.13199 363.87796
7335.0000 -111.76022 -109.47937 2.28085 1.82754 -109.62889 397.51056
7340.0000 -111.92552 -109.17377 2.75175 1.82542 -109.65572 399.25730
7345.0000 -112.01475 -109.76197 2.25278 1.85258 -109.31207 423.82809
7350.0000 -112.16533 -109.83340 2.33193 1.81941 -109.73176 408.73902
7355.0000 -112.40728 -110.53202 1.87526 1.79410 -110.05200 371.90204
7360.0000 -111.61466 -109.17887 2.43579 1.81362 -109.80495 374.74432
7365.0000 -112.03895 -110.09782 1.94112 1.84935 -109.35294 415.39087
7370.0000 -112.15724 -110.49708 1.66016 1.76790 -110.38340 341.97330
7375.0000 -112.66365 -110.90463 1.75902 1.76082 -110.47300 341.37991
7380.0000 -112.12486 -110.36111 1.76375 1.73138 -110.84542 315.92697
7385.0000 -112.32793 -109.98645 2.34148 1.78444 -110.17413 367.05784
7390.0000 -112.55875 -110.42670 2.13205 1.77693 -110.26919 358.24744
7395.0000 -112.69101 -110.80947 1.88154 1.74654 -110.65362 331.86107
7400.0000 -111.98106 -109.89937 2.08169 1.75862 -110.50083 345.47923
7405.0000 -111.95770 -109.78083 2.17687 1.80065 -109.96907 380.53453
7410.0000 -112.44128 -110.43395 2.00733 1.78326 -110.18910 368.09614
7415.0000 -112.58032 -110.35348 2.22684 1.76320 -110.44292 338.44183
7420.0000 -112.31407 -110.17121 2.14286 1.77945 -110.23725 356.75900
7425.0000 -111.94448 -110.27858 1.66590 1.78918 -110.11418 359.02699
7430.0000 -112.76932 -110.47724 2.29208 1.77530 -110.28981 355.77420
7435.0000 -112.46497 -110.35170 2.11326 1.76361 -110.43771 351.84986
7440.0000 -112.18002 -110.10533 2.07470 1.77097 -110.34459 359.73053
7445.0000 -112.09622 -109.71959 2.37663 1.80219 -109.94960 378.25106
7450.0000 -112.21946 -110.14305 2.07641 1.79726 -110.01203 387.64571
7455.0000 -112.48971 -110.19508 2.29463 1.78648 -110.14836 366.97068
7460.0000 -112.27930 -109.92510 2.35420 1.80594 -109.90217 386.56847
7465.0000 -112.29330 -110.34354 1.94976 1.80567 -109.90557 382.44876
7470.0000 -112.44093 -110.15393 2.28700 1.78802 -110.12889 353.03480
7475.0000 -112.32886 -110.51079 1.81807 1.76879 -110.37220 353.67302
7480.0000 -112.66449 -110.50774 2.15675 1.76394 -110.43354 351.21487
7485.0000 -112.63929 -110.52385 2.11543 1.77179 -110.33427 352.65209
7490.0000 -112.20581 -110.45549 1.75032 1.76870 -110.37326 351.26126
7495.0000 -112.14610 -109.97076 2.17534 1.76990 -110.35814 342.88217
7500.0000 -112.37524 -110.35277 2.02247 1.79205 -110.07792 370.94786
FREEZING PROCESS: loop number 31 T-loop= 345.00000000000000
main_MD> interactions number 31 at Temperature= 345.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57299 0.53432 1.39129
force_rgl> df(natom) -1.47553 1.24824 -0.33724
7505.0000 -112.40816 -110.64313 1.76503 1.76125 -110.46757 336.59897
7510.0000 -112.25880 -110.41751 1.84129 1.74467 -110.67729 321.11016
7515.0000 -112.57841 -110.70798 1.87044 1.75041 -110.60475 327.74954
7520.0000 -112.45766 -110.14144 2.31622 1.77160 -110.33659 350.77551
7525.0000 -111.96260 -109.42196 2.54064 1.81471 -109.79121 394.44508
7530.0000 -112.41213 -110.00928 2.40285 1.83274 -109.56312 408.79306
7535.0000 -112.11795 -109.68244 2.43550 1.79551 -110.03412 377.99579
7540.0000 -112.41298 -110.35533 2.05765 1.83504 -109.53400 416.99892
7545.0000 -112.91028 -111.04193 1.86835 1.76210 -110.45686 338.53306
7550.0000 -112.56609 -110.43443 2.13166 1.74229 -110.70743 317.04999
7555.0000 -112.24114 -110.34436 1.89678 1.77070 -110.34804 350.15872
7560.0000 -112.43265 -110.37874 2.05391 1.78010 -110.22911 356.59707
7565.0000 -112.85493 -110.90586 1.94907 1.74779 -110.63787 327.44094
7570.0000 -112.36621 -110.69481 1.67140 1.74654 -110.65367 332.87504
7575.0000 -112.86250 -111.04618 1.81632 1.72221 -110.96149 304.80998
7580.0000 -112.71906 -110.47665 2.24241 1.74252 -110.70448 321.14764
7585.0000 -112.55267 -110.81452 1.73815 1.73651 -110.78052 314.93366
7590.0000 -112.86774 -110.65154 2.21621 1.73698 -110.77456 313.54207
7595.0000 -112.01135 -109.92462 2.08672 1.75959 -110.48856 336.26458
7600.0000 -111.98521 -109.86525 2.11996 1.80610 -109.90011 382.86091
7605.0000 -112.23642 -110.26275 1.97367 1.80281 -109.94173 378.76538
7610.0000 -112.14117 -109.89304 2.24813 1.83308 -109.55882 413.06651
7615.0000 -111.57465 -109.74690 1.82774 1.83511 -109.53317 416.39238
7620.0000 -112.06433 -110.24738 1.81695 1.79208 -110.07751 369.75587
7625.0000 -112.01203 -109.77581 2.23623 1.79719 -110.01292 373.94701
7630.0000 -112.24943 -110.54557 1.70387 1.76788 -110.38372 341.99821
7635.0000 -112.98765 -110.90664 2.08100 1.73141 -110.84512 310.51975
7640.0000 -112.73643 -111.12480 1.61163 1.71665 -111.03179 296.32036
7645.0000 -111.85526 -109.86265 1.99260 1.77978 -110.23318 353.45010
7650.0000 -112.19630 -109.73140 2.46490 1.81855 -109.74259 400.25234
7655.0000 -111.52184 -109.38298 2.13886 1.82647 -109.64240 396.98765
7660.0000 -112.59502 -110.22911 2.36591 1.82317 -109.68418 408.45794
7665.0000 -112.45912 -110.22107 2.23805 1.76722 -110.39208 350.46252
7670.0000 -112.47679 -110.88107 1.59573 1.75895 -110.49664 333.79166
7675.0000 -112.38921 -110.26290 2.12631 1.75521 -110.54402 331.60186
7680.0000 -112.46399 -110.43548 2.02851 1.79074 -110.09452 377.87003
7685.0000 -112.02769 -110.03802 1.98967 1.76111 -110.46928 340.55250
7690.0000 -112.73220 -110.60768 2.12452 1.77039 -110.35189 353.32872
7695.0000 -112.73876 -110.93024 1.80852 1.75244 -110.57903 331.86443
7700.0000 -112.45720 -110.38010 2.07711 1.75429 -110.55566 333.98490
7705.0000 -112.72286 -110.48896 2.23390 1.76217 -110.45593 341.36584
7710.0000 -112.18731 -110.08252 2.10479 1.77014 -110.35512 343.12950
7715.0000 -112.36666 -110.46366 1.90300 1.77139 -110.33928 350.07518
7720.0000 -112.40991 -110.21852 2.19139 1.77218 -110.32925 355.15861
7725.0000 -111.90618 -110.12348 1.78271 1.77698 -110.26860 358.78956
7730.0000 -112.28416 -110.16407 2.12009 1.77041 -110.35163 345.48852
7735.0000 -112.59496 -110.62545 1.96951 1.76749 -110.38865 352.65683
7740.0000 -112.28720 -110.08857 2.19863 1.77786 -110.25743 369.72349
7745.0000 -112.44282 -110.68108 1.76174 1.76870 -110.37332 346.69562
7750.0000 -112.32065 -110.18818 2.13247 1.78412 -110.17826 361.95249
FREEZING PROCESS: loop number 32 T-loop= 320.00000000000000
main_MD> interactions number 32 at Temperature= 320.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29218 -2.02451 -0.79828
force_rgl> df(natom) 0.45268 0.37117 1.01857
7755.0000 -112.70752 -110.67604 2.03147 1.75510 -110.54538 335.05943
7760.0000 -112.34176 -110.67326 1.66851 1.72843 -110.88273 307.71860
7765.0000 -112.72907 -110.49984 2.22923 1.74045 -110.73068 320.42525
7770.0000 -112.78687 -110.67905 2.10781 1.75246 -110.57876 335.17577
7775.0000 -113.08572 -111.24276 1.84296 1.72429 -110.93516 302.85779
7780.0000 -112.87034 -111.05313 1.81722 1.70139 -111.22485 278.17404
7785.0000 -112.64456 -110.94294 1.70161 1.71931 -110.99819 299.40323
7790.0000 -113.14079 -110.93710 2.20369 1.71233 -111.08643 291.95979
7795.0000 -112.52783 -110.93540 1.59243 1.72870 -110.87940 310.27319
7800.0000 -112.82598 -110.85764 1.96834 1.73423 -110.80938 323.20431
7805.0000 -112.44061 -110.13420 2.30641 1.74728 -110.64429 334.15002
7810.0000 -112.59618 -110.36136 2.23481 1.77236 -110.32698 351.54912
7815.0000 -112.53302 -110.84767 1.68535 1.74377 -110.68873 319.24496
7820.0000 -112.43110 -110.61828 1.81282 1.72506 -110.92538 305.39548
7825.0000 -112.74529 -110.36711 2.37818 1.76721 -110.39215 351.47335
7830.0000 -112.62270 -110.67288 1.94982 1.76497 -110.42045 348.83274
7835.0000 -112.72821 -110.91609 1.81211 1.73972 -110.73999 316.42643
7840.0000 -112.59640 -110.81710 1.77930 1.71160 -111.09570 290.96308
7845.0000 -112.62774 -110.58664 2.04110 1.72504 -110.92563 309.53254
7850.0000 -112.30783 -110.67523 1.63260 1.73579 -110.78965 311.81412
7855.0000 -112.73971 -110.99860 1.74111 1.73148 -110.84414 312.36242
7860.0000 -112.50655 -110.82172 1.68483 1.70420 -111.18928 283.29494
7865.0000 -112.33298 -109.97696 2.35603 1.73636 -110.78244 316.16790
7870.0000 -112.11017 -110.21515 1.89502 1.77509 -110.29248 353.71118
7875.0000 -112.85341 -110.60078 2.25264 1.74680 -110.65035 323.13015
7880.0000 -112.58423 -110.70147 1.88276 1.75198 -110.58480 332.71079
7885.0000 -112.47834 -110.67714 1.80120 1.75389 -110.56065 325.27679
7890.0000 -112.67070 -110.72889 1.94180 1.75263 -110.57658 344.75169
7895.0000 -112.71893 -110.71217 2.00676 1.74297 -110.69883 325.67542
7900.0000 -112.40726 -110.77664 1.63062 1.74738 -110.64298 325.25093
7905.0000 -112.42398 -110.54677 1.87721 1.73416 -110.81023 315.96159
7910.0000 -112.78570 -110.92367 1.86203 1.73791 -110.76291 318.66982
7915.0000 -112.23481 -109.99380 2.24101 1.75051 -110.60340 327.70783
7920.0000 -112.39289 -110.73218 1.66071 1.76506 -110.41940 342.80332
7925.0000 -112.32064 -110.92554 1.39510 1.73923 -110.74615 320.29373
7930.0000 -112.76203 -110.59287 2.16916 1.74384 -110.68787 325.39674
7935.0000 -112.19433 -110.17706 2.01727 1.74393 -110.68664 318.77944
7940.0000 -112.45147 -110.60731 1.84416 1.76696 -110.39526 343.08491
7945.0000 -112.57582 -110.77933 1.79649 1.76526 -110.41681 343.64192
7950.0000 -112.81275 -111.43222 1.38053 1.71591 -111.04114 291.78820
7955.0000 -112.74115 -111.38773 1.35342 1.67980 -111.49804 258.60245
7960.0000 -113.16148 -111.07053 2.09095 1.70224 -111.21410 281.47568
7965.0000 -112.34146 -110.65253 1.68893 1.72255 -110.95713 305.37664
7970.0000 -112.69393 -110.62002 2.07392 1.74429 -110.68217 322.75501
7975.0000 -112.51517 -110.79276 1.72241 1.74747 -110.64196 326.64898
7980.0000 -112.45228 -110.17659 2.27570 1.77747 -110.26233 361.01659
7985.0000 -112.13058 -110.08582 2.04476 1.77301 -110.31875 352.63150
7990.0000 -112.66897 -110.88621 1.78275 1.74990 -110.61116 332.43287
7995.0000 -112.53698 -110.98660 1.55038 1.72170 -110.96795 302.18197
8000.0000 -112.67664 -110.90629 1.77035 1.72698 -110.90109 301.07497
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 32.6724298 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink