tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_67/freeze.log

2089 lines
206 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_67.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 = 67 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 67 6700
main_MD> Size of nv and nvoiz: 67 6700
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 = 67
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> 4.8593205322025823E-002 -7.0424729800757147E-002 -0.11672021555698162 initial drift of cluster / NP1 for coalescence
init> 0.35375878126746196 0.35143079378370479 0.32289661746038562 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7807107823702598E-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) -4.79660 0.05144 -0.31674
force_rgl> df(natom) 0.79975 1.38532 -3.16333
preparo> THERMALIZATION PROCESS AT 1240.0845582480702
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -145.54531827765686 10.348059144104084 -155.89337742176096 6.7365578661046242E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1215.0000000000000
main_MD> interactions number 1 at Temperature= 1215.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28584 2.88127 -1.38851
force_rgl> df(natom) -0.40006 3.05849 -0.12135
5.0000 -158.04131 -147.45329 10.58802 3.12650 -146.07467 1182.92640
10.0000 -157.13822 -145.33344 11.80478 3.08515 -146.75680 1169.20095
15.0000 -158.00719 -146.96892 11.03827 3.10569 -146.41800 1242.64186
20.0000 -157.68536 -147.02086 10.66450 3.04054 -147.49270 1137.97318
25.0000 -156.62443 -145.73309 10.89134 3.07659 -146.89809 1216.04265
30.0000 -157.52346 -146.97403 10.54943 3.10844 -146.37270 1180.49314
35.0000 -154.74083 -145.31272 9.42811 3.11582 -146.25087 1233.81917
40.0000 -155.73169 -145.94022 9.79147 3.10446 -146.43832 1198.90215
45.0000 -155.74494 -145.64041 10.10453 3.14364 -145.79192 1249.34465
50.0000 -157.42576 -147.00299 10.42276 3.08705 -146.72556 1218.82807
55.0000 -156.93360 -145.55772 11.37589 3.06338 -147.11589 1192.68471
60.0000 -156.71558 -145.82658 10.88900 3.12204 -146.14822 1240.93185
65.0000 -156.14365 -146.31723 9.82642 3.13671 -145.90633 1183.95678
70.0000 -156.34194 -144.84380 11.49813 3.16740 -145.39999 1257.27087
75.0000 -157.20210 -147.48654 9.71556 3.09609 -146.57644 1211.99417
80.0000 -158.08084 -147.97677 10.10407 2.98056 -148.48217 1115.47193
85.0000 -153.81216 -143.25842 10.55375 3.19499 -144.94491 1231.71803
90.0000 -154.24860 -144.35159 9.89701 3.22036 -144.52633 1283.23390
95.0000 -152.94365 -142.72870 10.21494 3.21510 -144.61310 1286.69123
100.0000 -154.60599 -144.96619 9.63981 3.26400 -143.80647 1269.45867
105.0000 -158.31038 -147.88734 10.42305 3.07301 -146.95717 1181.03426
110.0000 -157.14198 -146.20703 10.93495 3.05032 -147.33140 1179.54001
115.0000 -156.81312 -146.43554 10.37758 3.05743 -147.21404 1189.19033
120.0000 -156.56168 -146.79026 9.77142 3.09987 -146.51401 1189.79178
125.0000 -157.78923 -146.77105 11.01818 3.10706 -146.39544 1221.53511
130.0000 -157.56533 -146.35251 11.21282 3.09360 -146.61751 1220.95422
135.0000 -155.81325 -146.60928 9.20397 3.05373 -147.27516 1130.83696
140.0000 -155.47470 -144.01640 11.45830 3.13497 -145.93505 1233.76538
145.0000 -154.22010 -143.53525 10.68485 3.31202 -143.01431 1337.81845
150.0000 -153.81852 -143.92386 9.89466 3.28446 -143.46900 1394.30814
155.0000 -155.13969 -144.92309 10.21660 3.20350 -144.80453 1211.56786
160.0000 -155.94761 -143.83878 12.10883 3.17292 -145.30902 1256.38489
165.0000 -155.32915 -145.75966 9.56948 3.16967 -145.36253 1207.32923
170.0000 -158.01320 -146.11543 11.89777 3.16383 -145.45895 1208.60288
175.0000 -154.54915 -144.58677 9.96238 3.25124 -144.01706 1314.60728
180.0000 -158.06052 -148.82620 9.23432 3.07529 -146.91955 1165.41847
185.0000 -156.76994 -146.32644 10.44350 3.11802 -146.21459 1205.17222
190.0000 -157.40515 -145.51030 11.89485 3.18126 -145.17142 1251.71437
195.0000 -157.44963 -146.45449 10.99514 3.07470 -146.92929 1174.17579
200.0000 -157.19463 -147.59047 9.60416 3.09047 -146.66912 1187.04661
205.0000 -158.52807 -149.77801 8.75006 3.08474 -146.76367 1226.79080
210.0000 -157.34272 -145.52409 11.81863 3.03621 -147.56417 1158.32797
215.0000 -158.61000 -148.32375 10.28626 3.02021 -147.82811 1192.74127
220.0000 -154.87765 -145.16621 9.71144 3.12121 -146.16190 1206.86738
225.0000 -158.44486 -147.83134 10.61353 3.12051 -146.17361 1213.21844
230.0000 -157.59007 -146.33412 11.25595 3.15524 -145.60060 1244.53135
235.0000 -156.70612 -147.00522 9.70090 3.15384 -145.62378 1281.30617
240.0000 -156.36008 -145.85923 10.50085 3.10365 -146.45169 1208.17389
245.0000 -158.47017 -148.62006 9.85011 3.13167 -145.98951 1262.51883
250.0000 -157.51036 -144.14202 13.36834 3.01594 -147.89848 1140.05189
FREEZING PROCESS: loop number 2 T-loop= 1190.0000000000000
main_MD> interactions number 2 at Temperature= 1190.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.49156 1.54572 4.53106
force_rgl> df(natom) 4.44325 3.83515 4.38111
255.0000 -158.07950 -148.05193 10.02756 3.05939 -147.18182 1182.28208
260.0000 -157.41992 -146.82055 10.59937 3.06664 -147.06218 1192.46688
265.0000 -156.58940 -146.65951 9.92989 3.03131 -147.64503 1145.55653
270.0000 -156.93309 -148.06953 8.86356 3.06001 -147.17151 1157.81083
275.0000 -157.98734 -147.60414 10.38320 3.07510 -146.92254 1180.59138
280.0000 -158.83477 -149.16235 9.67242 3.03391 -147.60206 1176.34342
285.0000 -158.34276 -149.22961 9.11316 2.94927 -148.99832 1133.47720
290.0000 -160.17786 -150.61873 9.55913 3.04135 -147.47930 1179.18944
295.0000 -157.83439 -148.33150 9.50288 2.91510 -149.56208 1088.77211
300.0000 -157.86502 -147.70968 10.15534 3.02120 -147.81181 1089.21102
305.0000 -157.28101 -147.21355 10.06746 3.05380 -147.27403 1142.17791
310.0000 -158.27272 -147.45547 10.81725 3.09499 -146.59445 1216.55707
315.0000 -156.39453 -145.78706 10.60747 3.16172 -145.49371 1255.02693
320.0000 -156.84270 -146.17845 10.66424 3.09910 -146.52676 1231.20314
325.0000 -156.20293 -144.10184 12.10109 3.08074 -146.82966 1209.90201
330.0000 -157.35816 -145.59202 11.76615 3.24864 -144.05982 1307.61752
335.0000 -158.72119 -148.24406 10.47712 3.05305 -147.28629 1215.90248
340.0000 -158.25320 -148.29563 9.95757 3.04287 -147.45425 1196.16701
345.0000 -156.24992 -145.63917 10.61075 3.06116 -147.15264 1168.85851
350.0000 -156.32243 -142.98866 13.33377 3.23310 -144.31624 1307.18959
355.0000 -155.72151 -144.62235 11.09916 3.21908 -144.54746 1296.79504
360.0000 -155.90312 -145.99439 9.90873 3.19071 -145.01550 1278.43791
365.0000 -155.88090 -144.77765 11.10325 3.17582 -145.26114 1257.92783
370.0000 -155.95123 -145.31723 10.63401 3.12257 -146.13950 1235.88794
375.0000 -155.93483 -145.52366 10.41117 3.11583 -146.25079 1224.63557
380.0000 -157.04623 -145.44560 11.60064 3.20774 -144.73448 1280.94852
385.0000 -157.04367 -147.79614 9.24753 3.03884 -147.52074 1169.36754
390.0000 -157.16929 -146.54372 10.62557 2.99028 -148.32178 1097.27947
395.0000 -158.35489 -148.08719 10.26770 3.09183 -146.64664 1187.89480
400.0000 -157.45234 -148.00358 9.44876 2.95806 -148.85335 1111.67499
405.0000 -157.70286 -146.25918 11.44368 3.06459 -147.09605 1183.06524
410.0000 -157.22408 -147.64927 9.57481 3.09635 -146.57212 1213.72072
415.0000 -158.18646 -147.83455 10.35191 3.02432 -147.76032 1149.08360
420.0000 -157.20167 -146.56327 10.63840 3.10339 -146.45586 1187.30018
425.0000 -157.43074 -146.75129 10.67945 3.07878 -146.86186 1168.69338
430.0000 -156.29631 -145.73116 10.56515 3.14720 -145.73332 1232.65988
435.0000 -156.87794 -144.33287 12.54507 3.10687 -146.39853 1218.92052
440.0000 -158.11088 -148.80187 9.30901 3.14255 -145.80988 1240.43557
445.0000 -157.50924 -147.56241 9.94684 3.02360 -147.77221 1173.59772
450.0000 -155.33327 -143.38715 11.94612 3.15430 -145.61606 1245.95430
455.0000 -155.20835 -144.84931 10.35905 3.25323 -143.98410 1308.30667
460.0000 -159.28783 -150.05312 9.23471 2.98001 -148.49119 1123.96679
465.0000 -159.88580 -149.67344 10.21237 2.85743 -150.51335 1054.12746
470.0000 -155.04031 -144.32211 10.71821 3.07683 -146.89413 1212.01513
475.0000 -156.11866 -143.62734 12.49132 3.24810 -144.06872 1325.64736
480.0000 -157.11296 -146.95661 10.15635 3.18732 -145.07146 1242.90719
485.0000 -157.73563 -147.20871 10.52692 3.01800 -147.86462 1179.63463
490.0000 -159.19392 -148.11612 11.07780 3.00551 -148.07056 1165.06734
495.0000 -156.21202 -147.05434 9.15768 3.05627 -147.23320 1143.44522
500.0000 -157.82043 -147.87737 9.94306 3.04166 -147.47418 1163.67896
FREEZING PROCESS: loop number 3 T-loop= 1165.0000000000000
main_MD> interactions number 3 at Temperature= 1165.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.24590 -0.29415 1.52154
force_rgl> df(natom) 2.54495 -0.06146 1.76741
505.0000 -157.62692 -144.98777 12.63915 3.12626 -146.07869 1236.99120
510.0000 -158.67928 -148.38966 10.28962 3.05785 -147.20718 1172.21280
515.0000 -157.11566 -146.73317 10.38249 3.03550 -147.57592 1159.16341
520.0000 -159.29183 -149.13610 10.15573 2.94647 -149.04453 1087.86491
525.0000 -159.13644 -149.06500 10.07145 2.92173 -149.45258 1065.49940
530.0000 -160.32972 -149.61961 10.71011 2.90107 -149.79340 1068.70732
535.0000 -157.37657 -146.79054 10.58602 3.02319 -147.77892 1141.28389
540.0000 -158.76452 -147.70700 11.05752 3.03782 -147.53756 1174.51696
545.0000 -155.98357 -143.78922 12.19435 3.07110 -146.98854 1174.77193
550.0000 -154.41960 -143.95204 10.46756 3.19508 -144.94341 1264.84291
555.0000 -158.34600 -148.07068 10.27532 3.10190 -146.48050 1209.74923
560.0000 -158.87417 -147.76639 11.10777 2.97157 -148.63044 1153.48041
565.0000 -159.00663 -148.75443 10.25220 2.97642 -148.55038 1092.27219
570.0000 -159.10578 -148.93291 10.17287 2.97743 -148.53373 1137.37470
575.0000 -159.50658 -150.66197 8.84460 2.91704 -149.52998 1084.93034
580.0000 -156.46736 -148.61861 7.84875 2.88606 -150.04112 1068.46540
585.0000 -157.15859 -146.78106 10.37754 3.04920 -147.34988 1205.03144
590.0000 -158.55961 -148.04417 10.51545 3.10745 -146.38903 1216.40961
595.0000 -156.95282 -148.68318 8.26964 3.02101 -147.81495 1144.47656
600.0000 -157.62224 -147.07851 10.54373 3.03992 -147.50300 1153.21349
605.0000 -159.12799 -148.66415 10.46383 3.00650 -148.05432 1133.07091
610.0000 -157.18485 -147.80087 9.38398 3.01306 -147.94608 1168.14045
615.0000 -159.90431 -149.24101 10.66330 2.97030 -148.65150 1105.69402
620.0000 -159.23925 -149.09811 10.14114 2.98152 -148.46631 1151.16368
625.0000 -157.86226 -147.42347 10.43879 3.02350 -147.77376 1155.00836
630.0000 -158.30393 -146.89944 11.40449 3.08541 -146.75248 1200.21970
635.0000 -157.21807 -146.63689 10.58118 3.13515 -145.93207 1225.36243
640.0000 -156.98735 -147.49008 9.49727 3.04966 -147.34231 1165.66136
645.0000 -155.86207 -146.28012 9.58195 3.11089 -146.33214 1197.22914
650.0000 -157.40511 -147.00705 10.39806 3.16599 -145.42327 1260.59573
655.0000 -156.96688 -146.90397 10.06290 3.03708 -147.54981 1160.30799
660.0000 -156.46180 -145.85794 10.60387 3.05843 -147.19754 1201.34539
665.0000 -157.93822 -148.59036 9.34787 3.05010 -147.33505 1204.44492
670.0000 -158.83696 -148.49659 10.34037 2.96020 -148.81804 1115.80889
675.0000 -158.43346 -148.77882 9.65463 3.01604 -147.89687 1119.25926
680.0000 -158.75559 -150.05043 8.70516 2.93684 -149.20338 1100.84198
685.0000 -159.29824 -149.48891 9.80934 2.90901 -149.66246 1055.09421
690.0000 -157.70174 -148.20297 9.49878 2.94835 -149.01353 1098.53030
695.0000 -157.99354 -145.83698 12.15656 3.16638 -145.41680 1235.47997
700.0000 -155.70782 -146.85725 8.85057 3.14395 -145.78682 1166.41954
705.0000 -155.22086 -144.44262 10.77824 3.16911 -145.37179 1228.63506
710.0000 -156.73824 -146.16251 10.57573 3.17865 -145.21444 1226.02854
715.0000 -156.02408 -143.12575 12.89833 3.22090 -144.51744 1275.50267
720.0000 -156.01465 -145.82573 10.18891 3.16301 -145.47237 1202.46577
725.0000 -157.94600 -147.89017 10.05584 3.13097 -146.00103 1212.85892
730.0000 -157.34898 -147.32252 10.02645 3.02594 -147.73361 1149.53993
735.0000 -157.38793 -148.11526 9.27267 3.09581 -146.58103 1199.79231
740.0000 -159.14609 -148.04032 11.10577 2.96333 -148.76646 1101.84444
745.0000 -157.23597 -148.41703 8.81893 3.02898 -147.68336 1158.00381
750.0000 -159.02173 -150.09550 8.92624 2.88855 -149.99999 1042.37349
FREEZING PROCESS: loop number 4 T-loop= 1140.0000000000000
main_MD> interactions number 4 at Temperature= 1140.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.17127 -3.05611 0.28543
force_rgl> df(natom) -5.01231 -0.66250 -1.43603
755.0000 -159.98320 -149.51328 10.46992 2.91077 -149.63346 1075.14622
760.0000 -157.50970 -148.27770 9.23201 2.94281 -149.10483 1104.06487
765.0000 -156.25517 -146.58622 9.66895 2.97724 -148.53699 1108.44339
770.0000 -157.75165 -146.70454 11.04711 3.05434 -147.26514 1178.57093
775.0000 -158.72528 -147.45909 11.26619 3.03405 -147.59986 1188.25425
780.0000 -157.56259 -146.99169 10.57090 3.05566 -147.24328 1178.84950
785.0000 -155.38828 -147.20053 8.18775 3.15205 -145.65322 1203.30043
790.0000 -157.92094 -147.95520 9.96574 3.01646 -147.89002 1128.29154
795.0000 -157.08300 -147.30961 9.77339 2.99004 -148.32575 1111.22650
800.0000 -158.63834 -149.25158 9.38677 3.04811 -147.36787 1149.89223
805.0000 -157.87976 -147.18334 10.69642 2.97857 -148.51495 1144.95849
810.0000 -158.26575 -148.36819 9.89756 3.04841 -147.36289 1192.16002
815.0000 -160.02752 -149.94339 10.08413 2.93956 -149.15844 1102.06598
820.0000 -158.32366 -150.00865 8.31500 2.84932 -150.64716 1033.35258
825.0000 -157.11086 -147.40210 9.70876 2.95019 -148.98316 1090.13258
830.0000 -157.94973 -149.13072 8.81902 2.99532 -148.23875 1115.75721
835.0000 -159.48920 -149.04788 10.44132 2.98377 -148.42920 1134.59919
840.0000 -158.19341 -147.89597 10.29744 2.96308 -148.77056 1101.00226
845.0000 -158.62084 -150.06176 8.55908 3.01842 -147.85755 1171.10796
850.0000 -158.73705 -149.21670 9.52035 2.88322 -150.08794 1019.66918
855.0000 -158.26631 -150.25918 8.00713 2.97601 -148.55718 1091.41206
860.0000 -157.21138 -148.26970 8.94168 2.95386 -148.92264 1088.83186
865.0000 -159.63280 -149.42491 10.20788 2.93319 -149.26354 1124.55914
870.0000 -159.43929 -149.88798 9.55131 2.92936 -149.32670 1105.46894
875.0000 -156.26910 -147.52291 8.74619 3.03477 -147.58783 1145.77959
880.0000 -155.90538 -146.44877 9.45661 3.04445 -147.42831 1155.71613
885.0000 -156.86152 -146.62271 10.23881 3.04572 -147.40728 1201.90642
890.0000 -158.04440 -147.27786 10.76654 3.07416 -146.93809 1210.46046
895.0000 -159.07008 -150.87909 8.19099 2.93709 -149.19919 1075.73937
900.0000 -160.11295 -150.50611 9.60684 2.83677 -150.85420 1027.17457
905.0000 -158.46485 -149.43660 9.02825 2.91960 -149.48772 1076.57170
910.0000 -159.28198 -150.40239 8.87959 2.88140 -150.11801 1071.98807
915.0000 -157.90523 -147.92551 9.97972 2.91595 -149.54793 1080.68552
920.0000 -158.90596 -148.38761 10.51835 3.04234 -147.46304 1180.35293
925.0000 -159.08505 -149.64596 9.43909 2.90475 -149.73271 1058.06902
930.0000 -159.19401 -148.70394 10.49006 2.92131 -149.45949 1096.49768
935.0000 -156.58986 -145.23429 11.35558 3.03050 -147.65842 1124.39094
940.0000 -156.89975 -146.04851 10.85125 3.14931 -145.69848 1256.49874
945.0000 -155.84454 -145.41386 10.43068 3.14179 -145.82252 1265.50450
950.0000 -155.68410 -146.79767 8.88643 3.13699 -145.90171 1206.00869
955.0000 -154.64369 -145.68571 8.95798 3.12796 -146.05064 1209.14560
960.0000 -157.90841 -148.50952 9.39889 3.01124 -147.97615 1148.98740
965.0000 -158.50631 -149.80981 8.69650 2.97705 -148.54007 1103.73985
970.0000 -157.71898 -146.81872 10.90026 3.03437 -147.59443 1213.15859
975.0000 -157.29951 -147.64701 9.65250 2.97165 -148.62914 1138.07157
980.0000 -158.47836 -150.20349 8.27487 3.00228 -148.12381 1158.41058
985.0000 -159.00625 -148.69099 10.31526 2.91921 -149.49417 1079.81303
990.0000 -156.77868 -147.53969 9.23899 3.02950 -147.67487 1142.44729
995.0000 -158.60327 -148.52646 10.07681 2.99536 -148.23805 1153.85008
1000.0000 -156.46824 -146.36826 10.09998 3.05312 -147.28528 1179.34988
FREEZING PROCESS: loop number 5 T-loop= 1115.0000000000000
main_MD> interactions number 5 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56220 -0.46867 -0.70898
force_rgl> df(natom) -2.41555 1.10573 -3.79164
1005.0000 -156.34487 -146.40549 9.93938 3.09415 -146.60839 1150.24225
1010.0000 -157.63395 -148.16814 9.46581 3.07832 -146.86953 1161.56689
1015.0000 -159.54839 -150.55305 8.99534 2.94844 -149.01208 1105.61800
1020.0000 -158.79409 -147.32919 11.46490 2.86183 -150.44068 1021.82238
1025.0000 -158.27484 -148.27775 9.99709 2.96196 -148.78900 1090.94900
1030.0000 -157.44579 -146.56701 10.87877 3.00689 -148.04788 1142.42536
1035.0000 -157.80017 -148.21043 9.58974 3.02506 -147.74811 1159.94219
1040.0000 -157.53431 -147.62700 9.90730 2.99542 -148.23701 1120.94368
1045.0000 -158.31900 -147.77324 10.54576 3.01609 -147.89599 1159.52957
1050.0000 -158.00732 -147.82220 10.18512 3.01093 -147.98112 1102.41169
1055.0000 -158.63444 -149.09221 9.54223 2.94792 -149.02065 1095.70941
1060.0000 -156.97383 -147.95950 9.01433 3.01057 -147.98706 1117.39983
1065.0000 -160.15808 -149.62775 10.53032 2.98402 -148.42510 1113.04592
1070.0000 -158.47639 -148.91706 9.55933 2.90123 -149.79079 1048.02612
1075.0000 -158.59824 -150.93109 7.66715 2.86597 -150.37248 1043.73451
1080.0000 -160.06177 -151.55690 8.50487 2.82743 -151.00826 1014.49766
1085.0000 -161.38380 -152.91084 8.47296 2.76711 -152.00323 994.84615
1090.0000 -160.78637 -150.66394 10.12243 2.77765 -151.82935 1025.26870
1095.0000 -159.33377 -152.14333 7.19045 2.80078 -151.44792 1020.75094
1100.0000 -160.76257 -150.73970 10.02286 2.85822 -150.50038 1060.27227
1105.0000 -160.55861 -150.19613 10.36248 2.90084 -149.79718 1079.90334
1110.0000 -158.73124 -150.27727 8.45397 2.91049 -149.63812 1076.67192
1115.0000 -158.43377 -149.36993 9.06384 2.89610 -149.87536 1066.98461
1120.0000 -158.20855 -150.17749 8.03107 2.86687 -150.35758 1054.38522
1125.0000 -157.62906 -150.15993 7.46913 2.80548 -151.37036 1000.03436
1130.0000 -158.60660 -147.99050 10.61611 2.89553 -149.88484 1042.24700
1135.0000 -158.03630 -147.98071 10.05559 3.04083 -147.48794 1150.57116
1140.0000 -155.70501 -146.33999 9.36502 3.00218 -148.12549 1126.47082
1145.0000 -156.47217 -147.51015 8.96203 3.06649 -147.06466 1151.37680
1150.0000 -158.41827 -148.78595 9.63231 3.06383 -147.10849 1174.27034
1155.0000 -156.73920 -147.78276 8.95644 2.99092 -148.31125 1146.69092
1160.0000 -159.32662 -149.65967 9.66695 2.95028 -148.98161 1126.58352
1165.0000 -156.03727 -144.48720 11.55006 3.05749 -147.21305 1141.40433
1170.0000 -158.13293 -150.44504 7.68789 3.00779 -148.03290 1166.09834
1175.0000 -157.93878 -148.67959 9.25918 2.90170 -149.78308 1046.56999
1180.0000 -157.03072 -148.75626 8.27446 2.94638 -149.04595 1110.48292
1185.0000 -158.80384 -148.47301 10.33083 2.95882 -148.84075 1080.19897
1190.0000 -159.24528 -147.72766 11.51762 3.02641 -147.72582 1152.80293
1195.0000 -161.19851 -151.73060 9.46791 2.85640 -150.53038 1018.04015
1200.0000 -160.83692 -151.80072 9.03620 2.76582 -152.02450 986.74756
1205.0000 -155.72549 -146.96751 8.75799 2.90019 -149.80805 1093.42309
1210.0000 -156.01600 -146.19942 9.81658 3.16080 -145.50893 1245.04818
1215.0000 -156.87083 -149.27378 7.59706 3.02949 -147.67498 1131.41851
1220.0000 -158.28220 -148.78898 9.49323 2.96082 -148.80782 1089.89105
1225.0000 -159.70997 -148.86817 10.84180 3.02476 -147.75298 1128.47554
1230.0000 -157.75539 -148.26801 9.48738 2.98126 -148.47057 1083.53395
1235.0000 -158.91421 -149.13396 9.78025 3.01213 -147.96143 1104.66356
1240.0000 -157.27237 -148.51060 8.76177 2.96390 -148.75703 1107.74237
1245.0000 -160.42236 -151.02623 9.39613 2.86244 -150.43075 1023.99890
1250.0000 -159.34012 -149.21131 10.12881 2.86651 -150.36349 1045.77509
FREEZING PROCESS: loop number 6 T-loop= 1090.0000000000000
main_MD> interactions number 6 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.73310 -0.79748 2.35515
force_rgl> df(natom) 0.21701 3.40546 -0.84355
1255.0000 -158.07554 -148.08864 9.98690 2.96951 -148.66451 1125.26105
1260.0000 -157.12008 -147.18010 9.93998 3.05184 -147.30635 1164.11513
1265.0000 -158.26656 -148.62746 9.63910 2.96620 -148.71898 1110.54655
1270.0000 -159.84319 -149.52321 10.31998 2.94052 -149.14263 1113.54474
1275.0000 -158.60998 -149.98798 8.62200 2.82903 -150.98182 1013.16337
1280.0000 -157.22737 -149.97297 7.25441 2.95782 -148.85722 1126.40804
1285.0000 -158.67606 -150.54417 8.13189 2.84098 -150.78474 1040.20060
1290.0000 -159.11670 -148.69371 10.42298 2.93684 -149.20335 1068.02030
1295.0000 -158.63931 -149.74134 8.89797 2.93592 -149.21850 1085.46531
1300.0000 -159.39664 -149.18505 10.21159 2.88890 -149.99414 1058.14244
1305.0000 -158.27906 -146.20192 12.07714 2.98695 -148.37676 1107.73700
1310.0000 -156.59898 -147.68420 8.91478 3.15315 -145.63511 1247.41916
1315.0000 -157.53262 -149.04879 8.48382 2.98487 -148.41114 1051.36354
1320.0000 -159.27624 -148.98696 10.28929 2.88739 -150.01905 1050.19688
1325.0000 -159.29712 -148.91825 10.37888 2.88590 -150.04377 1084.82485
1330.0000 -160.61414 -149.50373 11.11041 2.88190 -150.10965 1061.01210
1335.0000 -160.10777 -151.21635 8.89143 2.93106 -149.29871 1076.77750
1340.0000 -158.01869 -149.25290 8.76579 2.86115 -150.45201 1046.14356
1345.0000 -158.81349 -149.02365 9.78985 2.88015 -150.13853 1034.79438
1350.0000 -158.28907 -148.36934 9.91973 2.97914 -148.50563 1112.67731
1355.0000 -157.85494 -148.23116 9.62377 3.00670 -148.05091 1160.57766
1360.0000 -158.29166 -148.79064 9.50102 2.92757 -149.35627 1095.73019
1365.0000 -158.01187 -148.91711 9.09476 2.90796 -149.67973 1065.71748
1370.0000 -158.18245 -149.20629 8.97616 2.92127 -149.46021 1086.42409
1375.0000 -157.99833 -146.75597 11.24236 2.95180 -148.95659 1120.74915
1380.0000 -158.15991 -148.67244 9.48747 3.05070 -147.32514 1171.76780
1385.0000 -157.34887 -147.40448 9.94439 3.05955 -147.17906 1158.40136
1390.0000 -158.86918 -148.72281 10.14637 3.01761 -147.87102 1161.30334
1395.0000 -158.15240 -149.18205 8.97035 2.93215 -149.28070 1105.78378
1400.0000 -159.17979 -148.54558 10.63421 2.91219 -149.60995 1084.57301
1405.0000 -159.57158 -150.28897 9.28261 2.91289 -149.59852 1089.46868
1410.0000 -158.09502 -148.93135 9.16367 2.89703 -149.86004 1055.45218
1415.0000 -157.55249 -147.35992 10.19257 2.97774 -148.52861 1138.09651
1420.0000 -159.43101 -148.12614 11.30487 2.98678 -148.37948 1140.76772
1425.0000 -157.19320 -148.41876 8.77444 2.98189 -148.46017 1112.87855
1430.0000 -158.35730 -148.63870 9.71859 2.97409 -148.58887 1089.25305
1435.0000 -158.82723 -150.56690 8.26033 2.85771 -150.50879 1068.71631
1440.0000 -158.33028 -148.70698 9.62330 2.91538 -149.55735 1088.58423
1445.0000 -157.69934 -148.60234 9.09700 3.01245 -147.95611 1145.01272
1450.0000 -159.19520 -149.12695 10.06825 2.95513 -148.90165 1106.03777
1455.0000 -160.18634 -152.35291 7.83343 2.82099 -151.11447 1022.75627
1460.0000 -158.85876 -148.89822 9.96054 2.89842 -149.83709 1078.45876
1465.0000 -157.39296 -147.55943 9.83353 2.97813 -148.52221 1123.64485
1470.0000 -158.82920 -149.99517 8.83403 2.91751 -149.52227 1066.15903
1475.0000 -159.07328 -149.31674 9.75654 2.88470 -150.06351 1077.38874
1480.0000 -158.84544 -146.74638 12.09906 2.98253 -148.44962 1126.75145
1485.0000 -160.10360 -150.13459 9.96901 2.93505 -149.23284 1088.51721
1490.0000 -158.58186 -148.79617 9.78569 2.91535 -149.55780 1068.63542
1495.0000 -157.89516 -147.65183 10.24333 2.99182 -148.29640 1111.58772
1500.0000 -160.32365 -152.94632 7.37733 2.91204 -149.61244 1075.94601
FREEZING PROCESS: loop number 7 T-loop= 1065.0000000000000
main_MD> interactions number 7 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09218 2.86069 -1.03966
force_rgl> df(natom) -0.25138 -0.84055 -0.31575
1505.0000 -160.96067 -152.15610 8.80457 2.64258 -154.05755 890.84451
1510.0000 -160.73592 -151.10310 9.63282 2.81770 -151.16881 1011.57841
1515.0000 -160.35183 -151.48800 8.86383 2.80180 -151.43102 1011.70757
1520.0000 -159.11199 -150.47635 8.63564 2.81247 -151.25505 1021.63692
1525.0000 -160.17811 -149.72221 10.45590 2.94228 -149.11361 1108.23620
1530.0000 -158.32409 -147.18858 11.13551 2.96995 -148.65721 1095.49585
1535.0000 -157.24197 -147.53957 9.70240 2.97300 -148.60694 1119.59321
1540.0000 -158.52600 -150.67628 7.84972 2.85389 -150.57169 1040.86372
1545.0000 -160.46463 -151.72931 8.73531 2.82500 -151.04838 1014.18056
1550.0000 -161.53384 -151.60022 9.93362 2.85405 -150.56905 1037.11749
1555.0000 -160.69034 -152.62886 8.06148 2.70542 -153.02086 957.91184
1560.0000 -160.04036 -150.69260 9.34776 2.78909 -151.64071 982.80497
1565.0000 -159.26552 -149.57717 9.68836 2.95187 -148.95539 1113.00506
1570.0000 -160.20480 -149.04175 11.16305 2.92613 -149.38009 1081.82955
1575.0000 -158.56380 -149.31788 9.24591 2.88657 -150.03262 1028.80040
1580.0000 -159.36262 -149.98252 9.38010 2.90004 -149.81039 1083.29715
1585.0000 -158.26470 -146.17296 12.09174 3.01418 -147.92750 1164.55520
1590.0000 -157.73765 -147.82740 9.91025 3.05734 -147.21559 1198.99910
1595.0000 -159.80999 -151.20688 8.60311 2.91955 -149.48856 1106.12184
1600.0000 -158.94318 -150.82883 8.11435 2.84214 -150.76551 1009.21579
1605.0000 -161.59715 -152.14616 9.45099 2.80348 -151.40333 1012.40059
1610.0000 -160.79635 -150.45624 10.34011 2.78778 -151.66232 1022.93881
1615.0000 -157.70896 -148.75251 8.95645 3.00340 -148.10532 1142.37784
1620.0000 -159.80554 -150.56495 9.24059 2.89931 -149.82242 1086.12897
1625.0000 -158.01311 -149.41894 8.59417 2.91415 -149.57766 1071.63466
1630.0000 -160.00284 -149.13042 10.87242 2.92856 -149.33990 1108.70259
1635.0000 -158.96032 -148.38765 10.57267 3.03333 -147.61162 1162.52825
1640.0000 -157.76755 -148.07091 9.69664 2.99600 -148.22745 1127.92096
1645.0000 -158.19540 -148.31124 9.88416 2.96545 -148.73140 1105.64738
1650.0000 -155.92189 -145.70772 10.21417 3.03785 -147.53713 1145.16071
1655.0000 -157.88571 -148.55175 9.33395 3.09711 -146.55961 1198.72796
1660.0000 -158.49062 -150.44122 8.04940 2.91085 -149.63206 1075.65654
1665.0000 -158.57601 -149.76361 8.81240 2.89410 -149.90839 1029.65587
1670.0000 -157.63732 -148.12245 9.51487 2.92929 -149.32796 1095.19519
1675.0000 -156.68629 -145.82876 10.85752 3.07906 -146.85730 1179.19517
1680.0000 -158.15905 -148.22548 9.93357 3.07682 -146.89418 1196.78768
1685.0000 -158.48383 -148.48779 9.99604 2.95200 -148.95330 1105.50332
1690.0000 -158.01848 -148.92735 9.09113 2.92775 -149.35331 1095.33438
1695.0000 -158.96569 -149.94538 9.02030 2.90039 -149.80461 1049.80920
1700.0000 -158.34550 -150.62454 7.72096 2.88145 -150.11708 1054.09444
1705.0000 -158.14587 -148.65084 9.49504 2.90917 -149.65987 1065.20131
1710.0000 -161.35771 -152.30127 9.05644 2.85335 -150.58064 1050.26348
1715.0000 -160.57102 -151.81960 8.75142 2.80459 -151.38504 1007.60183
1720.0000 -158.09095 -150.62572 7.46523 2.78665 -151.68090 992.05807
1725.0000 -158.22916 -148.77008 9.45908 2.92045 -149.47379 1072.30163
1730.0000 -157.68824 -148.07569 9.61255 3.01233 -147.95815 1129.63298
1735.0000 -159.26810 -150.02658 9.24152 2.89319 -149.92340 1062.92811
1740.0000 -159.89130 -152.23825 7.65305 2.86577 -150.37573 1054.28557
1745.0000 -160.95507 -152.64307 8.31200 2.75743 -152.16302 977.05533
1750.0000 -158.46730 -150.48285 7.98446 2.80106 -151.44318 987.20198
FREEZING PROCESS: loop number 8 T-loop= 1040.0000000000000
main_MD> interactions number 8 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.45410 1.87488 -0.08830
force_rgl> df(natom) -2.48733 2.60731 0.34258
1755.0000 -159.74577 -148.49144 11.25432 2.84512 -150.71634 1049.25682
1760.0000 -158.34397 -148.99331 9.35066 2.93052 -149.30762 1074.12405
1765.0000 -157.46819 -148.08396 9.38422 2.95676 -148.87476 1103.83488
1770.0000 -158.11982 -149.34841 8.77140 2.96422 -148.75171 1108.87165
1775.0000 -158.84449 -150.95526 7.88923 2.85303 -150.58585 1012.51222
1780.0000 -161.38256 -150.69637 10.68620 2.89799 -149.84431 1065.30892
1785.0000 -156.35949 -148.41352 7.94596 2.95330 -148.93190 1114.51132
1790.0000 -158.83677 -148.92047 9.91629 3.01596 -147.89826 1142.63311
1795.0000 -160.35495 -150.75466 9.60029 2.89514 -149.89120 1088.34143
1800.0000 -160.67362 -152.11200 8.56162 2.80315 -151.40873 1007.26317
1805.0000 -157.60384 -148.36941 9.23443 2.84220 -150.76459 1034.09665
1810.0000 -156.23551 -147.05244 9.18307 3.04120 -147.48188 1145.50423
1815.0000 -157.47165 -148.82820 8.64345 3.00849 -148.02143 1156.59934
1820.0000 -159.13179 -150.44609 8.68569 2.91753 -149.52197 1081.41404
1825.0000 -159.55641 -151.06296 8.49345 2.85723 -150.51666 1011.22511
1830.0000 -159.55124 -150.04495 9.50629 2.89136 -149.95365 1066.61366
1835.0000 -161.54267 -151.99976 9.54291 2.81679 -151.18382 1019.32605
1840.0000 -157.88338 -149.15702 8.72636 2.83877 -150.82111 1045.70227
1845.0000 -156.63436 -149.65978 6.97458 2.97722 -148.53730 1123.07438
1850.0000 -158.52051 -149.12406 9.39645 2.90379 -149.74854 1069.08173
1855.0000 -158.93117 -150.02809 8.90307 2.89347 -149.91877 1074.48506
1860.0000 -158.87028 -150.92353 7.94675 2.84752 -150.67674 1031.73612
1865.0000 -160.17164 -152.26456 7.90708 2.77485 -151.87555 986.44345
1870.0000 -159.00086 -151.10622 7.89464 2.85816 -150.50136 1018.90750
1875.0000 -159.75997 -152.66770 7.09227 2.79247 -151.58497 949.96638
1880.0000 -159.65338 -151.38375 8.26963 2.76507 -152.03693 993.02501
1885.0000 -160.15032 -150.87249 9.27783 2.80446 -151.38714 1004.34047
1890.0000 -159.66480 -150.28373 9.38107 2.87823 -150.17030 1066.06372
1895.0000 -160.78023 -153.33846 7.44178 2.75685 -152.17259 959.80501
1900.0000 -161.47252 -151.42825 10.04427 2.74709 -152.33358 977.49315
1905.0000 -159.21573 -150.64176 8.57396 2.83841 -150.82711 1034.63972
1910.0000 -159.74286 -150.23870 9.50416 2.88398 -150.07529 1054.75533
1915.0000 -160.42030 -149.96607 10.45423 2.85882 -150.49049 1076.90883
1920.0000 -159.60452 -151.84941 7.75511 2.80570 -151.36676 1008.54872
1925.0000 -159.15604 -150.47027 8.68577 2.91301 -149.59647 1042.18280
1930.0000 -161.05611 -152.34852 8.70759 2.79115 -151.60669 1002.36842
1935.0000 -159.94438 -151.33938 8.60500 2.79251 -151.58420 975.24701
1940.0000 -159.26257 -151.27827 7.98431 2.77912 -151.80510 969.22248
1945.0000 -159.25603 -150.75636 8.49967 2.80767 -151.33418 990.83955
1950.0000 -157.97741 -148.81268 9.16473 2.88364 -150.08100 1082.67139
1955.0000 -157.88179 -148.75497 9.12682 2.96062 -148.81114 1089.39282
1960.0000 -158.66498 -149.91632 8.74866 2.95395 -148.92120 1102.24928
1965.0000 -161.22133 -150.89219 10.32913 2.91357 -149.58717 1050.32211
1970.0000 -159.56912 -151.08376 8.48536 2.83850 -150.82557 1034.55566
1975.0000 -155.90112 -147.36972 8.53140 2.92964 -149.32217 1068.12504
1980.0000 -157.93285 -148.60848 9.32437 2.97125 -148.63581 1127.85825
1985.0000 -158.62703 -149.31648 9.31054 2.93973 -149.15575 1121.21569
1990.0000 -159.05640 -149.74482 9.31159 2.96524 -148.73490 1091.67161
1995.0000 -158.76610 -148.48326 10.28284 2.89447 -149.90233 1058.99254
2000.0000 -161.53951 -152.04319 9.49633 2.85877 -150.49130 1052.49718
FREEZING PROCESS: loop number 9 T-loop= 1015.0000000000000
main_MD> interactions number 9 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88528 -0.05175 0.44406
force_rgl> df(natom) -1.56593 5.40884 1.36713
2005.0000 -160.50034 -151.08690 9.41344 2.78289 -151.74288 1005.75992
2010.0000 -162.05474 -152.83014 9.22460 2.80434 -151.38914 996.57928
2015.0000 -161.79035 -152.58285 9.20750 2.71579 -152.84987 944.34139
2020.0000 -159.91776 -151.59220 8.32556 2.80423 -151.39097 1008.84693
2025.0000 -159.94276 -151.73863 8.20413 2.81432 -151.22453 983.34295
2030.0000 -159.00614 -150.32001 8.68613 2.85474 -150.55777 1036.48536
2035.0000 -159.11084 -147.83064 11.28020 2.90849 -149.67103 1073.91587
2040.0000 -159.67083 -150.27306 9.39778 2.94693 -149.03698 1117.39305
2045.0000 -159.23198 -150.10670 9.12528 2.87907 -150.15638 1049.85441
2050.0000 -158.22556 -149.32309 8.90246 2.95191 -148.95474 1083.04736
2055.0000 -158.73236 -149.38346 9.34890 2.96084 -148.80748 1121.31128
2060.0000 -159.71726 -150.71267 9.00458 2.86790 -150.34066 1029.30174
2065.0000 -161.38389 -152.43604 8.94786 2.81785 -151.16618 1009.37374
2070.0000 -160.71149 -152.11097 8.60053 2.71787 -152.81556 971.56955
2075.0000 -159.87131 -150.67195 9.19936 2.85346 -150.57875 1054.31225
2080.0000 -161.01364 -153.03092 7.98272 2.74573 -152.35589 974.57434
2085.0000 -160.68667 -150.89411 9.79256 2.72906 -152.63088 943.46015
2090.0000 -160.66061 -151.44567 9.21494 2.86325 -150.41741 1053.45554
2095.0000 -161.00027 -152.77380 8.22647 2.84250 -150.75963 1029.48547
2100.0000 -162.98870 -153.91048 9.07822 2.70011 -153.10846 946.73642
2105.0000 -160.19718 -151.32163 8.87555 2.80095 -151.44499 1019.09364
2110.0000 -160.73836 -152.53524 8.20313 2.75268 -152.24138 972.42441
2115.0000 -157.50502 -149.77922 7.72581 2.81283 -151.24900 994.53369
2120.0000 -158.76967 -148.98205 9.78762 2.92254 -149.43925 1068.04911
2125.0000 -158.63511 -150.18442 8.45068 2.86160 -150.44452 1032.46943
2130.0000 -157.57323 -149.39406 8.17917 2.90419 -149.74204 1048.24292
2135.0000 -158.40816 -147.95577 10.45239 2.94771 -149.02410 1051.67626
2140.0000 -160.25114 -150.35406 9.89708 2.94920 -148.99956 1088.59760
2145.0000 -158.02566 -149.91343 8.11223 2.86999 -150.30613 1041.93996
2150.0000 -158.67855 -149.84099 8.83756 2.89152 -149.95097 1036.24256
2155.0000 -158.87988 -150.21475 8.66512 2.90196 -149.77871 1086.97946
2160.0000 -158.55838 -150.07517 8.48321 2.91348 -149.58880 1101.42487
2165.0000 -159.52007 -149.52760 9.99247 2.92106 -149.46366 1084.96989
2170.0000 -158.58021 -150.45982 8.12039 2.83811 -150.83208 1018.87908
2175.0000 -160.36155 -151.81661 8.54494 2.82078 -151.11799 992.34010
2180.0000 -158.79007 -149.47330 9.31678 2.81930 -151.14240 993.97491
2185.0000 -158.92209 -149.70374 9.21835 2.94512 -149.06677 1093.58052
2190.0000 -160.38874 -150.29788 10.09085 2.92907 -149.33155 1087.43889
2195.0000 -157.65783 -149.30093 8.35690 2.86223 -150.43420 1054.66890
2200.0000 -158.88760 -149.84015 9.04744 2.91041 -149.63930 1084.42322
2205.0000 -160.60230 -151.29524 9.30706 2.84939 -150.64603 1025.68025
2210.0000 -160.22467 -151.84511 8.37956 2.78443 -151.71755 999.06152
2215.0000 -159.95620 -150.87295 9.08324 2.78563 -151.69777 982.97295
2220.0000 -159.24840 -150.23692 9.01148 2.87242 -150.26602 1065.42173
2225.0000 -161.62091 -153.30602 8.31488 2.85453 -150.56120 1028.36733
2230.0000 -159.75441 -151.35172 8.40269 2.77043 -151.94858 990.09793
2235.0000 -159.71216 -151.86249 7.84967 2.76693 -152.00628 958.46772
2240.0000 -160.80781 -151.85864 8.94917 2.77895 -151.80798 960.52791
2245.0000 -158.52645 -150.83940 7.68705 2.79429 -151.55494 961.57068
2250.0000 -159.85046 -150.83701 9.01345 2.83316 -150.91367 1001.87072
FREEZING PROCESS: loop number 10 T-loop= 990.00000000000000
main_MD> interactions number 10 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69021 0.23861 0.67349
force_rgl> df(natom) -4.73450 -0.92260 0.47808
2255.0000 -158.52035 -148.51118 10.00917 2.93473 -149.23822 1079.01189
2260.0000 -157.97616 -148.01470 9.96145 2.97442 -148.58344 1074.75410
2265.0000 -156.95415 -147.72618 9.22797 2.94830 -149.01436 1104.30869
2270.0000 -159.42173 -150.39219 9.02954 2.93399 -149.25033 1090.54421
2275.0000 -160.68075 -152.25132 8.42942 2.85765 -150.50964 988.07077
2280.0000 -160.54994 -151.68241 8.86753 2.78317 -151.73830 981.78023
2285.0000 -158.56125 -149.42778 9.13346 2.88515 -150.05606 1061.03872
2290.0000 -160.62638 -152.26234 8.36404 2.81514 -151.21094 979.56527
2295.0000 -161.41755 -152.75927 8.65828 2.70844 -152.97105 953.01992
2300.0000 -161.88546 -153.43325 8.45220 2.70085 -153.09629 968.81904
2305.0000 -159.96406 -150.21644 9.74762 2.81073 -151.28370 1018.94168
2310.0000 -158.40636 -149.56434 8.84202 2.85852 -150.49539 1000.45707
2315.0000 -159.43418 -151.83776 7.59642 2.85291 -150.58795 1041.62508
2320.0000 -160.30473 -150.78299 9.52175 2.80380 -151.39799 994.50601
2325.0000 -160.54728 -151.41661 9.13067 2.83862 -150.82356 1034.22436
2330.0000 -160.13913 -153.46022 6.67892 2.74292 -152.40228 964.12630
2335.0000 -161.04469 -153.19326 7.85143 2.67237 -153.56616 907.06076
2340.0000 -160.80560 -151.43560 9.37000 2.73385 -152.55192 964.25588
2345.0000 -160.82094 -152.69294 8.12800 2.72224 -152.74353 957.54456
2350.0000 -158.98243 -151.01473 7.96770 2.78822 -151.65511 992.60988
2355.0000 -161.73564 -153.05944 8.67621 2.80511 -151.37647 988.72211
2360.0000 -160.99670 -152.37983 8.61687 2.71749 -152.82174 964.32663
2365.0000 -160.31871 -151.58039 8.73832 2.80366 -151.40033 1000.98661
2370.0000 -160.91652 -153.42752 7.48901 2.69153 -153.25014 926.38377
2375.0000 -159.66890 -150.58470 9.08420 2.76865 -151.97785 959.53197
2380.0000 -157.55370 -148.20702 9.34669 2.93042 -149.30928 1114.50412
2385.0000 -158.98374 -150.26424 8.71950 2.93430 -149.24529 1078.38534
2390.0000 -160.63689 -150.25995 10.37694 2.92703 -149.36513 1101.72045
2395.0000 -159.60971 -151.96583 7.64389 2.80645 -151.35434 983.07148
2400.0000 -159.84567 -151.00855 8.83712 2.82709 -151.01382 973.91954
2405.0000 -159.42567 -150.45326 8.97242 2.83136 -150.94341 1029.30398
2410.0000 -160.77571 -152.24891 8.52680 2.78700 -151.67520 1011.77007
2415.0000 -163.34294 -154.46810 8.87484 2.65300 -153.88571 917.56186
2420.0000 -161.80058 -153.81726 7.98332 2.71225 -152.90829 970.19653
2425.0000 -161.81939 -154.10034 7.71905 2.63122 -154.24491 885.66641
2430.0000 -162.24830 -153.04380 9.20450 2.62832 -154.29281 908.80443
2435.0000 -161.89748 -153.80812 8.08937 2.68185 -153.40968 947.34157
2440.0000 -162.46655 -154.62779 7.83876 2.67825 -153.46908 931.29915
2445.0000 -160.28272 -151.97143 8.31129 2.71064 -152.93484 932.47806
2450.0000 -159.90335 -150.23040 9.67295 2.84546 -150.71078 1007.12833
2455.0000 -158.56040 -149.75410 8.80629 2.85654 -150.52808 1038.57307
2460.0000 -159.88345 -151.66058 8.22287 2.87499 -150.22367 1057.87517
2465.0000 -160.76529 -152.50495 8.26034 2.79480 -151.54657 1012.65341
2470.0000 -158.55567 -150.64905 7.90662 2.77125 -151.93499 999.36326
2475.0000 -159.98774 -151.93655 8.05119 2.82199 -151.09792 1006.55721
2480.0000 -160.77692 -152.45425 8.32268 2.78776 -151.66271 1014.28501
2485.0000 -161.11348 -154.05855 7.05493 2.66851 -153.62972 892.96830
2490.0000 -162.15743 -154.06157 8.09586 2.68223 -153.40343 915.98445
2495.0000 -160.30922 -152.42228 7.88694 2.65942 -153.77968 902.21955
2500.0000 -159.48967 -150.04974 9.43993 2.88593 -150.04315 1055.89400
FREEZING PROCESS: loop number 11 T-loop= 965.00000000000000
main_MD> interactions number 11 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.93949 -3.90185 0.85070
force_rgl> df(natom) -0.80009 -4.07926 0.63817
2505.0000 -159.63314 -149.15173 10.48141 2.96786 -148.69167 1101.60746
2510.0000 -159.27915 -150.38819 8.89096 2.87848 -150.16610 1067.56041
2515.0000 -161.72573 -152.58713 9.13860 2.77126 -151.93481 987.33921
2520.0000 -158.97540 -152.59626 6.37914 2.75583 -152.18942 990.06303
2525.0000 -159.63439 -151.64873 7.98566 2.74386 -152.38684 937.33565
2530.0000 -160.96774 -152.62181 8.34594 2.77150 -151.93083 966.93388
2535.0000 -161.45823 -153.11343 8.34480 2.71903 -152.79633 942.08850
2540.0000 -161.49134 -152.46937 9.02197 2.72229 -152.74259 958.68893
2545.0000 -162.67465 -155.52950 7.14515 2.65071 -153.92341 897.45082
2550.0000 -161.20397 -153.91042 7.29355 2.56698 -155.30472 828.64729
2555.0000 -162.73291 -154.83180 7.90110 2.67804 -153.47262 919.02441
2560.0000 -159.16905 -151.24093 7.92812 2.63835 -154.12731 883.10933
2565.0000 -158.63928 -150.01373 8.62556 2.83961 -150.80727 1005.19065
2570.0000 -159.45737 -150.07165 9.38572 2.86799 -150.33910 1054.08079
2575.0000 -160.48210 -150.53081 9.95129 2.84991 -150.63733 1069.73531
2580.0000 -161.70570 -153.07092 8.63479 2.77174 -151.92695 1005.39733
2585.0000 -162.35213 -154.95082 7.40132 2.61666 -154.48511 900.49411
2590.0000 -161.18174 -153.97977 7.20196 2.63483 -154.18547 873.86952
2595.0000 -161.57280 -153.15957 8.41323 2.69268 -153.23108 942.25820
2600.0000 -159.75093 -152.21556 7.53537 2.71125 -152.92480 931.70718
2605.0000 -163.25619 -154.78414 8.47205 2.70122 -153.09023 953.52096
2610.0000 -161.26913 -154.16711 7.10202 2.58104 -155.07265 857.63087
2615.0000 -160.46788 -152.59593 7.87194 2.67333 -153.55023 894.30098
2620.0000 -160.09802 -152.67090 7.42712 2.73348 -152.55805 975.14434
2625.0000 -160.32260 -151.62878 8.69382 2.76712 -152.00316 948.98319
2630.0000 -160.31682 -152.33253 7.98429 2.74264 -152.40689 964.75494
2635.0000 -162.02802 -152.92648 9.10154 2.75511 -152.20119 938.63592
2640.0000 -159.44666 -150.64412 8.80255 2.70940 -152.95519 939.43744
2645.0000 -159.36302 -150.50794 8.85508 2.84597 -150.70246 1028.48173
2650.0000 -161.09433 -151.46598 9.62835 2.84779 -150.67231 1042.66016
2655.0000 -159.92312 -151.06425 8.85887 2.79073 -151.61363 976.70173
2660.0000 -160.51761 -153.51285 7.00476 2.76307 -152.06986 967.41138
2665.0000 -160.28934 -150.85518 9.43416 2.80498 -151.37860 1011.83517
2670.0000 -160.15859 -151.99241 8.16617 2.76774 -151.99294 964.90682
2675.0000 -161.71975 -154.43985 7.27990 2.71956 -152.78769 977.26156
2680.0000 -161.34211 -153.49643 7.84568 2.64762 -153.97437 901.53309
2685.0000 -161.46182 -154.15128 7.31053 2.66160 -153.74374 901.38036
2690.0000 -159.79036 -151.95178 7.83858 2.75728 -152.16542 982.16946
2695.0000 -160.56825 -152.10850 8.45975 2.74116 -152.43132 969.26515
2700.0000 -159.46450 -151.75479 7.70971 2.79162 -151.59895 997.63959
2705.0000 -159.66326 -151.69492 7.96834 2.77405 -151.88880 967.01563
2710.0000 -159.04550 -151.70107 7.34443 2.77708 -151.83876 944.37871
2715.0000 -158.49592 -149.38041 9.11552 2.87203 -150.27244 1048.24138
2720.0000 -157.06139 -148.82233 8.23906 2.93123 -149.29586 1081.29738
2725.0000 -161.38185 -151.30877 10.07307 2.86710 -150.35377 1078.52673
2730.0000 -160.42634 -151.74447 8.68187 2.80350 -151.40295 991.04248
2735.0000 -161.32697 -153.00273 8.32424 2.74380 -152.38772 974.81079
2740.0000 -162.02623 -153.36509 8.66114 2.68848 -153.30043 943.93159
2745.0000 -160.70115 -151.27893 9.42222 2.80609 -151.36028 1012.65174
2750.0000 -160.74170 -153.59397 7.14772 2.74739 -152.32859 1000.54183
FREEZING PROCESS: loop number 12 T-loop= 940.00000000000000
main_MD> interactions number 12 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.13787 -2.46970 0.76087
force_rgl> df(natom) -0.59612 0.46130 -2.09870
2755.0000 -161.79229 -153.97273 7.81956 2.63568 -154.17131 879.29607
2760.0000 -159.18625 -150.11560 9.07065 2.81020 -151.29243 968.96025
2765.0000 -159.35545 -151.59401 7.76144 2.84265 -150.75723 1001.89884
2770.0000 -160.40989 -151.92159 8.48830 2.81674 -151.18450 1016.06661
2775.0000 -158.09383 -150.36919 7.72464 2.86420 -150.40174 1028.11124
2780.0000 -160.97807 -152.75472 8.22335 2.77620 -151.85330 962.08781
2785.0000 -158.50156 -150.31057 8.19099 2.81195 -151.26360 1008.46228
2790.0000 -160.84770 -151.73821 9.10950 2.86480 -150.39174 1036.52762
2795.0000 -158.80960 -149.13529 9.67431 2.85473 -150.55785 1038.49365
2800.0000 -157.60556 -149.97041 7.63516 2.84766 -150.67446 994.74191
2805.0000 -160.97978 -152.91923 8.06055 2.81211 -151.26090 965.83800
2810.0000 -159.96922 -152.18240 7.78682 2.73333 -152.56056 957.48605
2815.0000 -161.57779 -153.06267 8.51513 2.74022 -152.44683 959.19755
2820.0000 -161.91489 -154.20336 7.71153 2.67116 -153.58610 910.68163
2825.0000 -161.82229 -153.75193 8.07036 2.67828 -153.46856 911.34782
2830.0000 -160.01073 -152.67892 7.33181 2.69247 -153.23452 916.75998
2835.0000 -162.06655 -153.27802 8.78853 2.73378 -152.55310 925.64890
2840.0000 -160.44069 -152.28624 8.15444 2.73286 -152.56829 970.48178
2845.0000 -160.25144 -152.16975 8.08170 2.72440 -152.70781 951.47372
2850.0000 -161.54934 -152.50126 9.04809 2.73315 -152.56345 954.69032
2855.0000 -161.04631 -152.61133 8.43498 2.70937 -152.95580 961.92299
2860.0000 -160.05849 -152.68440 7.37409 2.72749 -152.65679 968.35091
2865.0000 -161.51919 -152.69971 8.81948 2.67542 -153.51576 919.47274
2870.0000 -161.69012 -153.99510 7.69502 2.71653 -152.83767 954.12642
2875.0000 -160.37118 -152.09693 8.27425 2.70083 -153.09662 940.20667
2880.0000 -160.01747 -151.09323 8.92424 2.79739 -151.50383 1010.44441
2885.0000 -159.79114 -151.47865 8.31248 2.79498 -151.54346 992.06069
2890.0000 -161.45573 -153.35749 8.09825 2.70358 -153.05126 946.37753
2895.0000 -161.47985 -152.86986 8.60998 2.66478 -153.69131 945.63838
2900.0000 -160.22944 -151.17273 9.05671 2.74123 -152.43020 928.39108
2905.0000 -159.93094 -150.72235 9.20859 2.80810 -151.32707 1014.61089
2910.0000 -160.18292 -151.71587 8.46705 2.83066 -150.95498 1042.72659
2915.0000 -160.50442 -153.27016 7.23426 2.75531 -152.19798 952.58383
2920.0000 -161.61570 -153.47946 8.13624 2.71514 -152.86056 953.64845
2925.0000 -159.27408 -150.70154 8.57254 2.75364 -152.22552 969.84516
2930.0000 -161.28405 -153.27948 8.00457 2.72732 -152.65962 974.90866
2935.0000 -162.92502 -153.76882 9.15619 2.72528 -152.69323 968.88929
2940.0000 -161.16054 -152.85491 8.30563 2.67144 -153.58141 899.81081
2945.0000 -160.24111 -153.29545 6.94567 2.73540 -152.52640 965.76496
2950.0000 -159.93061 -150.96478 8.96583 2.82169 -151.10299 1041.41994
2955.0000 -159.70621 -150.40692 9.29928 2.83112 -150.94735 1038.20979
2960.0000 -159.94430 -151.74875 8.19555 2.84134 -150.77880 1042.35233
2965.0000 -158.78709 -149.48123 9.30586 2.89383 -149.91282 1040.07293
2970.0000 -160.59832 -152.43691 8.16140 2.84369 -150.74003 1035.78107
2975.0000 -161.03999 -152.71533 8.32466 2.69915 -153.12433 942.64611
2980.0000 -161.02139 -153.11869 7.90270 2.68752 -153.31625 903.81373
2985.0000 -159.64021 -151.06931 8.57090 2.73077 -152.60283 965.68661
2990.0000 -160.15143 -151.28050 8.87092 2.83844 -150.82664 1025.03506
2995.0000 -161.93317 -152.98000 8.95316 2.78182 -151.76053 975.21917
3000.0000 -160.79171 -153.64538 7.14633 2.65595 -153.83706 886.96407
FREEZING PROCESS: loop number 13 T-loop= 915.00000000000000
main_MD> interactions number 13 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51955 1.11169 -3.02520
force_rgl> df(natom) -2.05761 -0.26489 4.13681
3005.0000 -160.87572 -153.69209 7.18362 2.65494 -153.85369 876.60400
3010.0000 -161.78751 -153.33764 8.44987 2.62098 -154.41384 862.36321
3015.0000 -161.50026 -155.23712 6.26314 2.59358 -154.86587 853.90638
3020.0000 -160.35503 -153.99315 6.36188 2.60432 -154.68867 865.40112
3025.0000 -161.50237 -151.51543 9.98694 2.70894 -152.96288 934.21770
3030.0000 -161.86335 -153.18562 8.67772 2.70616 -153.00866 934.56222
3035.0000 -160.82137 -153.48607 7.33530 2.71330 -152.89088 951.05871
3040.0000 -162.19145 -154.35207 7.83937 2.60767 -154.63348 857.10339
3045.0000 -163.48664 -155.67628 7.81036 2.56665 -155.31003 852.26381
3050.0000 -162.55305 -155.51756 7.03549 2.56069 -155.40847 822.76800
3055.0000 -161.50719 -155.51026 5.99693 2.57133 -155.23283 829.04036
3060.0000 -163.61027 -154.14212 9.46815 2.62158 -154.40397 879.02450
3065.0000 -161.23626 -153.94266 7.29360 2.64080 -154.08694 882.77842
3070.0000 -161.60351 -154.67504 6.92846 2.62986 -154.26735 902.58345
3075.0000 -162.13225 -154.17552 7.95674 2.62298 -154.38090 910.13996
3080.0000 -161.10158 -154.08780 7.01379 2.62280 -154.38377 884.09879
3085.0000 -162.12839 -154.16535 7.96303 2.65697 -153.82017 918.33213
3090.0000 -161.99839 -154.78965 7.20874 2.55819 -155.44969 845.06581
3095.0000 -161.14893 -153.10536 8.04358 2.67085 -153.59120 889.47820
3100.0000 -160.58282 -153.75432 6.82850 2.74312 -152.39900 951.19129
3105.0000 -161.76172 -153.27988 8.48185 2.69077 -153.26251 937.86921
3110.0000 -161.37906 -151.96629 9.41277 2.79709 -151.50865 1003.55201
3115.0000 -161.34182 -153.64651 7.69531 2.70254 -153.06837 932.97934
3120.0000 -162.38430 -153.78098 8.60332 2.66657 -153.66180 904.40363
3125.0000 -161.22122 -151.92413 9.29708 2.71249 -152.90427 960.18403
3130.0000 -159.84412 -153.37616 6.46796 2.72249 -152.73926 953.31724
3135.0000 -163.72428 -156.85392 6.87037 2.62229 -154.39227 860.90938
3140.0000 -162.73094 -154.51380 8.21713 2.56050 -155.41157 840.80028
3145.0000 -162.63803 -154.35244 8.28559 2.65465 -153.85842 918.33523
3150.0000 -162.46602 -155.64065 6.82537 2.53922 -155.76254 835.94321
3155.0000 -161.28466 -153.26238 8.02229 2.64862 -153.95791 895.80481
3160.0000 -162.24966 -153.64925 8.60041 2.70923 -152.95804 924.94271
3165.0000 -162.32000 -154.54457 7.77543 2.61628 -154.49146 848.61091
3170.0000 -162.77088 -153.25383 9.51704 2.66744 -153.64753 920.66906
3175.0000 -160.49081 -152.23644 8.25437 2.72274 -152.73521 943.07190
3180.0000 -161.18201 -152.26165 8.92035 2.77404 -151.88893 993.91194
3185.0000 -160.28528 -153.21810 7.06718 2.72196 -152.74812 937.82787
3190.0000 -160.50246 -152.43653 8.06594 2.70517 -153.02512 946.34109
3195.0000 -160.30127 -153.92593 6.37534 2.72892 -152.63332 928.85271
3200.0000 -161.27082 -153.49775 7.77307 2.62021 -154.42659 857.99739
3205.0000 -159.62418 -152.46935 7.15483 2.71820 -152.81015 928.66518
3210.0000 -160.80408 -152.35761 8.44647 2.73908 -152.46572 952.98163
3215.0000 -161.64667 -153.97950 7.66716 2.66926 -153.61739 910.98499
3220.0000 -161.54619 -154.00247 7.54373 2.64542 -154.01067 896.55284
3225.0000 -160.39204 -152.13756 8.25448 2.70533 -153.02236 947.00925
3230.0000 -159.98052 -150.75605 9.22447 2.83445 -150.89245 1002.38923
3235.0000 -159.75559 -151.36356 8.39203 2.84929 -150.64762 986.93959
3240.0000 -162.43371 -153.49759 8.93612 2.72299 -152.73106 954.88199
3245.0000 -162.46191 -155.11704 7.34486 2.61116 -154.57586 891.97435
3250.0000 -159.94443 -151.17209 8.77234 2.63300 -154.21561 893.48702
FREEZING PROCESS: loop number 14 T-loop= 890.00000000000000
main_MD> interactions number 14 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93694 1.07382 -1.24956
force_rgl> df(natom) -0.34410 -3.62969 1.29020
3255.0000 -160.39977 -153.60135 6.79842 2.73853 -152.47476 919.79866
3260.0000 -161.59349 -154.42705 7.16644 2.66909 -153.62024 918.58959
3265.0000 -162.77911 -156.44666 6.33245 2.57943 -155.09920 843.35543
3270.0000 -162.68128 -156.11942 6.56186 2.48321 -156.68660 787.76585
3275.0000 -161.00276 -153.16484 7.83792 2.58127 -155.06892 826.13611
3280.0000 -161.71460 -153.60191 8.11270 2.70292 -153.06212 921.24005
3285.0000 -164.81288 -157.37059 7.44228 2.56231 -155.38165 864.56132
3290.0000 -162.01813 -154.73219 7.28593 2.53737 -155.79312 854.03552
3295.0000 -163.56688 -156.59823 6.96865 2.57611 -155.15403 849.78520
3300.0000 -160.75631 -153.22984 7.52647 2.59858 -154.78330 846.70001
3305.0000 -161.96834 -153.87885 8.08949 2.68337 -153.38467 917.43719
3310.0000 -161.00073 -152.40868 8.59206 2.65772 -153.80776 879.89701
3315.0000 -161.98477 -152.43219 9.55258 2.74703 -152.33450 969.83596
3320.0000 -161.13351 -153.22248 7.91103 2.69635 -153.17048 920.35590
3325.0000 -163.07782 -155.06238 8.01544 2.68242 -153.40035 920.14230
3330.0000 -161.49352 -153.18645 8.30708 2.67563 -153.51234 910.36702
3335.0000 -162.40033 -153.49241 8.90791 2.68489 -153.35960 935.04615
3340.0000 -161.61728 -153.14662 8.47066 2.69073 -153.26321 919.70947
3345.0000 -162.31076 -154.10849 8.20227 2.66774 -153.64245 898.41289
3350.0000 -161.75614 -154.02442 7.73172 2.64560 -154.00772 895.60705
3355.0000 -163.12928 -154.09668 9.03260 2.65104 -153.91804 928.01611
3360.0000 -162.98904 -155.09990 7.88915 2.61151 -154.57006 857.33464
3365.0000 -161.06494 -152.43537 8.62958 2.60209 -154.72551 869.59673
3370.0000 -161.33890 -154.32788 7.01102 2.65994 -153.77116 887.51460
3375.0000 -162.34757 -154.74127 7.60631 2.62156 -154.40421 882.65086
3380.0000 -162.86232 -155.69054 7.17177 2.57492 -155.17370 879.61009
3385.0000 -160.90745 -153.63578 7.27166 2.68453 -153.36558 915.61924
3390.0000 -159.98440 -152.25774 7.72666 2.70761 -152.98487 963.24942
3395.0000 -161.98654 -155.02444 6.96210 2.63940 -154.11006 883.32765
3400.0000 -162.09651 -153.65742 8.43909 2.62562 -154.33729 851.90809
3405.0000 -161.56547 -154.71525 6.85021 2.67027 -153.60074 913.85376
3410.0000 -162.35796 -154.45221 7.90575 2.61676 -154.48345 877.60315
3415.0000 -162.33004 -154.70266 7.62738 2.62977 -154.26892 865.61704
3420.0000 -161.44474 -153.83772 7.60702 2.63350 -154.20736 874.49241
3425.0000 -162.46907 -154.99198 7.47709 2.60343 -154.70330 893.42039
3430.0000 -161.87752 -154.22011 7.65741 2.60519 -154.67442 880.73706
3435.0000 -162.27920 -155.11008 7.16912 2.60689 -154.64631 873.94296
3440.0000 -161.66631 -154.84584 6.82048 2.60232 -154.72175 866.58452
3445.0000 -161.98433 -154.14981 7.83453 2.59129 -154.90363 848.06992
3450.0000 -161.27747 -152.54044 8.73703 2.66457 -153.69474 921.78247
3455.0000 -159.90304 -152.05890 7.84414 2.74054 -152.44162 952.42806
3460.0000 -160.38135 -153.12655 7.25480 2.73884 -152.46960 934.09177
3465.0000 -161.84059 -154.41650 7.42409 2.65834 -153.79752 884.01798
3470.0000 -162.18165 -155.15695 7.02471 2.56350 -155.36208 835.13113
3475.0000 -162.77102 -155.28749 7.48353 2.56075 -155.40736 819.44226
3480.0000 -163.26156 -155.28092 7.98064 2.62330 -154.37565 856.70990
3485.0000 -162.82697 -154.13095 8.69602 2.61395 -154.52978 864.27753
3490.0000 -160.16659 -152.15522 8.01137 2.67441 -153.53249 884.28580
3495.0000 -161.05687 -151.15090 9.90597 2.78139 -151.76765 951.00054
3500.0000 -160.76033 -151.81024 8.95009 2.78613 -151.68949 1018.54152
FREEZING PROCESS: loop number 15 T-loop= 865.00000000000000
main_MD> interactions number 15 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20897 -1.46513 1.71887
force_rgl> df(natom) -1.40716 2.44111 -2.55618
3505.0000 -161.18855 -152.47010 8.71845 2.76393 -152.05577 983.90261
3510.0000 -162.10608 -155.63669 6.46939 2.62925 -154.27738 876.60467
3515.0000 -162.45709 -154.58846 7.86863 2.52459 -156.00396 789.18881
3520.0000 -160.55875 -152.18891 8.36984 2.67676 -153.49366 908.17787
3525.0000 -161.09727 -152.02992 9.06735 2.74981 -152.28863 965.77784
3530.0000 -161.98810 -153.79641 8.19168 2.71245 -152.90491 945.47509
3535.0000 -161.78618 -154.01048 7.77570 2.68964 -153.28130 915.70293
3540.0000 -162.35305 -154.44539 7.90766 2.59386 -154.86119 878.34097
3545.0000 -162.23185 -154.49640 7.73545 2.62492 -154.34883 885.07254
3550.0000 -163.80401 -156.63611 7.16791 2.57536 -155.16639 836.77043
3555.0000 -163.47414 -156.19306 7.28108 2.49309 -156.52353 805.43606
3560.0000 -161.84835 -154.21018 7.63817 2.57293 -155.20648 853.45384
3565.0000 -161.32037 -153.93360 7.38677 2.67026 -153.60090 913.33817
3570.0000 -160.84751 -152.15933 8.68819 2.73770 -152.48836 972.80878
3575.0000 -163.92132 -156.42160 7.49972 2.63711 -154.14776 867.75650
3580.0000 -163.12292 -156.76699 6.35593 2.46890 -156.92268 782.88510
3585.0000 -163.19954 -155.28275 7.91679 2.56491 -155.33880 865.84222
3590.0000 -159.52881 -152.53610 6.99271 2.66679 -153.65815 897.53094
3595.0000 -161.57109 -154.66509 6.90600 2.64598 -154.00149 886.96218
3600.0000 -163.48044 -156.61714 6.86330 2.50994 -156.24565 817.57260
3605.0000 -161.80019 -154.42302 7.37717 2.58971 -154.92977 886.68483
3610.0000 -160.97830 -153.79648 7.18182 2.63382 -154.20209 875.12394
3615.0000 -162.18432 -153.86050 8.32382 2.62494 -154.34856 894.91684
3620.0000 -161.63865 -153.91269 7.72596 2.56708 -155.30296 830.42447
3625.0000 -161.02638 -152.50798 8.51840 2.68708 -153.32340 902.28858
3630.0000 -161.91191 -152.45502 9.45688 2.67388 -153.54127 918.13448
3635.0000 -160.21142 -152.73993 7.47149 2.70536 -153.02184 955.11729
3640.0000 -163.29311 -155.77000 7.52311 2.59137 -154.90231 878.22331
3645.0000 -161.97916 -154.57260 7.40656 2.54857 -155.60842 823.08818
3650.0000 -162.84383 -154.75415 8.08968 2.65723 -153.81583 914.80967
3655.0000 -163.10361 -154.41603 8.68758 2.58236 -155.05086 849.57709
3660.0000 -161.84787 -155.24684 6.60103 2.56188 -155.38879 839.85591
3665.0000 -162.61615 -155.07476 7.54139 2.60605 -154.66017 886.08353
3670.0000 -163.21226 -155.78328 7.42899 2.57116 -155.23562 841.54821
3675.0000 -161.11678 -153.65520 7.46158 2.62001 -154.42988 856.92435
3680.0000 -161.92891 -154.11402 7.81489 2.68463 -153.36396 907.92966
3685.0000 -163.03226 -155.25689 7.77537 2.56759 -155.29455 827.05974
3690.0000 -162.18556 -154.70963 7.47593 2.63407 -154.19791 895.99969
3695.0000 -161.18515 -153.71741 7.46775 2.64941 -153.94491 857.61764
3700.0000 -160.79191 -152.21298 8.57893 2.67950 -153.44849 940.93490
3705.0000 -161.93320 -154.12745 7.80575 2.65465 -153.85840 924.65278
3710.0000 -162.35980 -154.41158 7.94822 2.62897 -154.28203 915.82693
3715.0000 -163.70746 -155.95748 7.74999 2.57557 -155.16291 849.69493
3720.0000 -162.73175 -155.80659 6.92516 2.56613 -155.31868 878.31760
3725.0000 -163.64790 -156.11325 7.53465 2.46659 -156.96064 786.05131
3730.0000 -161.25360 -154.66965 6.58395 2.53172 -155.88633 810.06420
3735.0000 -160.78527 -153.53814 7.24713 2.61323 -154.54175 893.94906
3740.0000 -161.52730 -154.17269 7.35462 2.65318 -153.88276 919.63290
3745.0000 -162.18593 -154.79981 7.38612 2.57015 -155.25242 858.09165
3750.0000 -164.00196 -156.95576 7.04619 2.53503 -155.83171 811.07980
FREEZING PROCESS: loop number 16 T-loop= 840.00000000000000
main_MD> interactions number 16 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50257 -0.88656 0.11646
force_rgl> df(natom) -2.91912 0.67521 -1.94613
3755.0000 -164.12315 -156.60733 7.51582 2.47013 -156.90234 776.30293
3760.0000 -161.79510 -154.59254 7.20256 2.55397 -155.51926 830.76077
3765.0000 -163.45024 -155.44629 8.00395 2.59742 -154.80245 853.11424
3770.0000 -162.01243 -154.64035 7.37208 2.56861 -155.27776 864.60063
3775.0000 -161.03441 -154.46004 6.57437 2.61951 -154.43804 897.09689
3780.0000 -162.85626 -155.49182 7.36445 2.59209 -154.89036 863.73821
3785.0000 -162.32360 -156.13961 6.18399 2.55421 -155.51524 854.06714
3790.0000 -161.89357 -154.71935 7.17422 2.56689 -155.30607 842.36154
3795.0000 -163.36980 -155.87750 7.49230 2.56745 -155.29682 832.51567
3800.0000 -161.93824 -155.00076 6.93748 2.55543 -155.49511 836.72690
3805.0000 -162.22639 -154.95554 7.27085 2.57480 -155.17571 844.35520
3810.0000 -161.62034 -154.45115 7.16920 2.59094 -154.90944 853.72486
3815.0000 -163.33493 -156.77776 6.55717 2.55852 -155.44426 833.43377
3820.0000 -162.51798 -155.34315 7.17483 2.48574 -156.64476 800.68822
3825.0000 -163.43974 -156.65939 6.78035 2.52708 -155.96292 824.11048
3830.0000 -163.56145 -157.11337 6.44808 2.45780 -157.10566 748.44742
3835.0000 -163.26172 -154.76428 8.49743 2.56176 -155.39078 863.87533
3840.0000 -162.38031 -155.38269 6.99763 2.56086 -155.40569 855.32962
3845.0000 -162.50787 -154.60951 7.89835 2.57313 -155.20317 842.15795
3850.0000 -163.01765 -154.41285 8.60480 2.63323 -154.21177 864.59586
3855.0000 -160.04340 -152.52472 7.51868 2.62845 -154.29070 894.79688
3860.0000 -161.72476 -153.32349 8.40128 2.74503 -152.36755 969.57182
3865.0000 -162.59567 -155.82291 6.77276 2.61706 -154.47856 840.96026
3870.0000 -162.98483 -156.94819 6.03665 2.50107 -156.39196 776.76324
3875.0000 -163.77612 -157.43547 6.34066 2.50252 -156.36799 802.38508
3880.0000 -164.84863 -158.23169 6.61694 2.39960 -158.06572 737.63508
3885.0000 -164.08474 -156.11913 7.96561 2.42784 -157.60000 777.71463
3890.0000 -163.04009 -154.89792 8.14217 2.50563 -156.31663 805.66201
3895.0000 -163.35789 -156.85157 6.50633 2.52032 -156.07431 811.85795
3900.0000 -163.41351 -156.76348 6.65003 2.52118 -156.06020 824.83796
3905.0000 -162.64969 -155.32155 7.32814 2.51587 -156.14777 803.84188
3910.0000 -163.01669 -154.87713 8.13955 2.55047 -155.57698 853.03810
3915.0000 -161.58842 -153.36161 8.22680 2.62714 -154.31217 866.56321
3920.0000 -163.01094 -155.62412 7.38682 2.63193 -154.23327 872.53634
3925.0000 -162.80020 -155.66986 7.13034 2.54331 -155.69515 798.06316
3930.0000 -162.79840 -156.21471 6.58370 2.57474 -155.17669 842.88934
3935.0000 -162.22687 -154.45171 7.77516 2.59664 -154.81530 866.63317
3940.0000 -162.46836 -154.96013 7.50823 2.57866 -155.11192 857.77144
3945.0000 -163.12902 -156.53503 6.59399 2.51712 -156.12720 835.91188
3950.0000 -163.45321 -155.76076 7.69246 2.49700 -156.45900 798.20354
3955.0000 -162.28434 -155.39343 6.89091 2.55339 -155.52882 822.16207
3960.0000 -162.20055 -152.03933 10.16121 2.63699 -154.14982 904.63365
3965.0000 -160.07989 -153.01066 7.06923 2.70772 -152.98305 935.69387
3970.0000 -163.79450 -156.19025 7.60425 2.58697 -154.97487 853.34414
3975.0000 -163.19371 -156.98834 6.20537 2.51703 -156.12860 812.38939
3980.0000 -161.32438 -153.35455 7.96983 2.55831 -155.44771 842.13579
3985.0000 -162.87225 -155.49241 7.37984 2.59098 -154.90869 866.90842
3990.0000 -162.80417 -155.14744 7.65673 2.53373 -155.85320 839.87823
3995.0000 -160.72566 -153.63571 7.08995 2.62613 -154.32890 889.96242
4000.0000 -161.72276 -153.39048 8.33228 2.68178 -153.41084 917.35246
FREEZING PROCESS: loop number 17 T-loop= 815.00000000000000
main_MD> interactions number 17 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99536 1.53585 0.59988
force_rgl> df(natom) 2.56433 1.82102 3.42341
4005.0000 -161.62737 -153.72465 7.90272 2.62260 -154.38715 872.24153
4010.0000 -162.73607 -154.41053 8.32554 2.67019 -153.60212 907.85796
4015.0000 -162.03914 -153.64815 8.39099 2.64012 -154.09805 901.61406
4020.0000 -162.36580 -155.53121 6.83458 2.64333 -154.04524 887.43476
4025.0000 -163.46837 -156.36081 7.10756 2.54561 -155.65723 822.57693
4030.0000 -161.57769 -154.35481 7.22288 2.58693 -154.97551 852.63268
4035.0000 -162.94854 -156.04249 6.90605 2.54573 -155.65526 805.27917
4040.0000 -162.55375 -155.37321 7.18053 2.53469 -155.83735 810.84271
4045.0000 -164.50313 -157.10092 7.40221 2.51703 -156.12862 831.03725
4050.0000 -163.63493 -156.52032 7.11462 2.49690 -156.46070 790.06477
4055.0000 -163.82826 -156.45952 7.36874 2.48439 -156.66699 809.84134
4060.0000 -163.88910 -156.21155 7.67755 2.55258 -155.54221 837.48182
4065.0000 -163.41553 -156.35206 7.06347 2.50452 -156.33493 827.75766
4070.0000 -165.52966 -157.78944 7.74022 2.46279 -157.02346 799.56460
4075.0000 -164.82372 -157.89370 6.93002 2.40755 -157.93466 765.75770
4080.0000 -166.21366 -160.86171 5.35195 2.31780 -159.41511 700.80530
4085.0000 -164.63517 -158.64036 5.99480 2.30780 -159.58015 677.12924
4090.0000 -164.54085 -156.81157 7.72929 2.45928 -157.08133 774.96110
4095.0000 -163.19993 -156.68344 6.51649 2.53676 -155.80321 803.36711
4100.0000 -163.92742 -156.27660 7.65083 2.53831 -155.77764 839.87243
4105.0000 -162.75861 -155.53747 7.22114 2.51957 -156.08676 813.38842
4110.0000 -163.08887 -157.01603 6.07283 2.48709 -156.62261 802.40958
4115.0000 -162.75981 -155.62709 7.13272 2.50059 -156.39987 797.15697
4120.0000 -160.85208 -154.41039 6.44169 2.57654 -155.14698 845.39279
4125.0000 -164.25539 -156.75750 7.49790 2.57484 -155.17493 841.08026
4130.0000 -162.82674 -156.70157 6.12517 2.48709 -156.62250 772.90098
4135.0000 -162.33097 -156.82099 5.50997 2.56203 -155.38627 853.44659
4140.0000 -163.00254 -157.12195 5.88058 2.53228 -155.87705 811.55176
4145.0000 -162.58750 -156.68216 5.90534 2.50253 -156.36783 791.80509
4150.0000 -164.08868 -157.73617 6.35251 2.45567 -157.14090 805.62907
4155.0000 -164.75716 -157.95974 6.79742 2.37479 -158.47505 738.24932
4160.0000 -164.68772 -158.35999 6.32774 2.41362 -157.83447 737.28192
4165.0000 -163.30744 -157.82303 5.48440 2.41008 -157.89294 728.28982
4170.0000 -163.30270 -156.76313 6.53957 2.45798 -157.10281 776.84328
4175.0000 -162.01116 -155.29930 6.71186 2.48749 -156.61590 788.33000
4180.0000 -162.11734 -155.04264 7.07470 2.53924 -155.76227 817.64472
4185.0000 -162.75546 -155.82290 6.93256 2.63573 -154.17051 881.31738
4190.0000 -162.47100 -155.78656 6.68443 2.54423 -155.67996 796.96962
4195.0000 -162.74609 -156.01756 6.72853 2.52601 -155.98054 795.12806
4200.0000 -161.51114 -155.01523 6.49591 2.54127 -155.72877 815.80294
4205.0000 -160.96486 -154.24089 6.72398 2.55940 -155.42967 798.49337
4210.0000 -163.73510 -156.03893 7.69616 2.58651 -154.98252 838.09607
4215.0000 -162.44250 -155.11564 7.32686 2.50875 -156.26515 775.00757
4220.0000 -162.88864 -154.98111 7.90753 2.63071 -154.25340 870.82164
4225.0000 -164.05861 -156.03154 8.02707 2.51794 -156.11358 803.05227
4230.0000 -162.95014 -155.48942 7.46072 2.53929 -155.76138 824.33547
4235.0000 -163.06541 -156.67403 6.39139 2.48451 -156.66513 793.75741
4240.0000 -163.21569 -156.33234 6.88335 2.50036 -156.40364 804.17209
4245.0000 -162.77220 -156.26198 6.51022 2.48186 -156.70873 815.72018
4250.0000 -164.15970 -156.26649 7.89321 2.50772 -156.28223 809.11879
FREEZING PROCESS: loop number 18 T-loop= 790.00000000000000
main_MD> interactions number 18 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.22100 -0.92767 1.29974
force_rgl> df(natom) -0.07458 3.34286 -2.10567
4255.0000 -163.49387 -157.38220 6.11168 2.50655 -156.30148 812.42666
4260.0000 -165.35417 -158.77940 6.57477 2.40026 -158.05497 725.79051
4265.0000 -163.07734 -156.24123 6.83611 2.43367 -157.50370 757.54323
4270.0000 -164.30029 -157.69571 6.60458 2.47093 -156.88903 774.31348
4275.0000 -165.08785 -158.82189 6.26596 2.42991 -157.56576 734.90370
4280.0000 -164.02268 -157.02487 6.99781 2.43858 -157.42272 745.28060
4285.0000 -162.37971 -155.10333 7.27638 2.54529 -155.66241 854.08959
4290.0000 -162.76416 -154.98850 7.77565 2.57377 -155.19265 870.06210
4295.0000 -163.26034 -156.45878 6.80156 2.56764 -155.29374 860.51563
4300.0000 -162.75388 -155.76437 6.98951 2.48304 -156.68927 797.19836
4305.0000 -163.89937 -158.18445 5.71493 2.47029 -156.89967 761.54994
4310.0000 -162.35683 -156.57515 5.78168 2.44131 -157.37779 742.57676
4315.0000 -162.43403 -155.46849 6.96554 2.55094 -155.56923 823.62755
4320.0000 -162.76281 -155.49284 7.26997 2.55801 -155.45265 844.09553
4325.0000 -163.34378 -156.07453 7.26925 2.56404 -155.35311 825.17220
4330.0000 -162.36218 -154.80088 7.56130 2.53768 -155.78792 810.75240
4335.0000 -162.48127 -155.71315 6.76812 2.61017 -154.59213 892.08799
4340.0000 -163.92862 -156.51626 7.41236 2.51201 -156.21147 823.23366
4345.0000 -163.43315 -155.48162 7.95153 2.49981 -156.41262 791.05279
4350.0000 -162.64800 -155.43210 7.21590 2.55739 -155.46278 862.18917
4355.0000 -162.59949 -155.30927 7.29022 2.57178 -155.22551 836.59132
4360.0000 -162.70090 -155.76434 6.93656 2.58471 -155.01212 848.91971
4365.0000 -163.17726 -157.05094 6.12632 2.54320 -155.69697 845.09148
4370.0000 -163.28311 -155.84667 7.43645 2.47170 -156.87635 797.04549
4375.0000 -162.77113 -156.10637 6.66475 2.48525 -156.65281 791.96643
4380.0000 -162.25577 -154.78809 7.46767 2.57984 -155.09252 836.56800
4385.0000 -161.84425 -155.11593 6.72832 2.61761 -154.46941 902.10178
4390.0000 -163.83893 -156.81109 7.02784 2.49120 -156.55479 765.87419
4395.0000 -163.91320 -156.79935 7.11386 2.47043 -156.89729 781.27511
4400.0000 -164.22874 -156.28589 7.94285 2.48060 -156.72965 791.99301
4405.0000 -164.42331 -158.47235 5.95096 2.43459 -157.48852 777.50177
4410.0000 -163.26419 -157.14151 6.12268 2.41485 -157.81417 744.36511
4415.0000 -162.70858 -155.95858 6.75000 2.52249 -156.03860 796.94895
4420.0000 -163.52644 -155.90656 7.61988 2.52325 -156.02604 804.65756
4425.0000 -163.24531 -155.91877 7.32654 2.47067 -156.89333 795.67529
4430.0000 -163.95088 -156.03418 7.91670 2.52785 -155.95023 817.88297
4435.0000 -162.22227 -156.03813 6.18414 2.55347 -155.52744 835.20333
4440.0000 -163.03045 -156.40401 6.62643 2.53736 -155.79335 833.87222
4445.0000 -163.26922 -156.24512 7.02410 2.54421 -155.68023 815.01414
4450.0000 -166.08356 -156.99124 9.09233 2.49099 -156.55813 778.72899
4455.0000 -163.70834 -157.38996 6.31838 2.45221 -157.19791 769.86428
4460.0000 -163.96156 -158.14292 5.81864 2.45419 -157.16527 748.81143
4465.0000 -164.40958 -157.69123 6.71835 2.41157 -157.86831 739.04035
4470.0000 -163.74473 -157.00145 6.74328 2.41281 -157.84779 753.45120
4475.0000 -164.77356 -156.94476 7.82881 2.50047 -156.40177 824.56629
4480.0000 -163.08789 -156.01456 7.07333 2.50024 -156.40558 789.42503
4485.0000 -162.59275 -154.99301 7.59974 2.51736 -156.12317 808.37738
4490.0000 -163.21799 -155.33218 7.88581 2.57038 -155.24864 831.93249
4495.0000 -162.02920 -153.84504 8.18415 2.54863 -155.60733 842.57515
4500.0000 -162.21988 -154.77164 7.44823 2.55405 -155.51801 830.50079
FREEZING PROCESS: loop number 19 T-loop= 765.00000000000000
main_MD> interactions number 19 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76168 1.95060 0.85706
force_rgl> df(natom) 2.52906 -1.34617 0.41330
4505.0000 -161.51496 -154.22620 7.28876 2.57210 -155.22019 837.71998
4510.0000 -162.57452 -155.78572 6.78880 2.56171 -155.39157 815.85368
4515.0000 -162.85596 -155.34502 7.51094 2.57356 -155.19604 839.89971
4520.0000 -163.03007 -156.50378 6.52629 2.53398 -155.84899 807.69572
4525.0000 -164.14961 -158.16109 5.98853 2.43681 -157.45191 764.59802
4530.0000 -164.18321 -157.47812 6.70508 2.42744 -157.60654 766.47841
4535.0000 -162.72968 -155.96427 6.76542 2.45967 -157.07482 783.02406
4540.0000 -163.25769 -155.89219 7.36549 2.51025 -156.24054 807.72093
4545.0000 -162.54932 -156.04854 6.50078 2.53517 -155.82938 813.36854
4550.0000 -163.93468 -157.15214 6.78253 2.48834 -156.60192 801.00276
4555.0000 -163.79361 -156.59485 7.19876 2.45874 -157.09018 770.94350
4560.0000 -163.94059 -156.82503 7.11556 2.47649 -156.79732 788.89298
4565.0000 -165.36211 -157.95260 7.40951 2.42391 -157.66480 721.62912
4570.0000 -163.60402 -157.25679 6.34723 2.44288 -157.35189 758.12610
4575.0000 -164.85583 -158.04213 6.81370 2.40630 -157.95532 737.13623
4580.0000 -163.23350 -155.70656 7.52693 2.45712 -157.11694 758.95379
4585.0000 -163.93845 -157.43606 6.50239 2.52800 -155.94775 817.79977
4590.0000 -163.21650 -157.65721 5.55930 2.39604 -158.12452 701.05648
4595.0000 -163.49985 -156.81841 6.68144 2.40038 -158.05290 713.66432
4600.0000 -162.58106 -155.48595 7.09512 2.54441 -155.67692 815.28379
4605.0000 -163.13853 -156.64088 6.49765 2.53488 -155.83412 802.78224
4610.0000 -163.91784 -156.67250 7.24534 2.48006 -156.73848 759.45178
4615.0000 -164.19365 -157.47979 6.71386 2.44548 -157.30893 746.83653
4620.0000 -164.99090 -158.50569 6.48521 2.37536 -158.46558 724.08078
4625.0000 -165.55132 -159.68155 5.86977 2.30859 -159.56706 675.08582
4630.0000 -164.58497 -158.77067 5.81430 2.33124 -159.19346 681.38796
4635.0000 -164.67404 -157.69322 6.98082 2.40785 -157.92973 750.52196
4640.0000 -163.61723 -156.67667 6.94056 2.45917 -157.08317 744.85049
4645.0000 -162.44523 -156.68101 5.76422 2.51488 -156.16411 796.56021
4650.0000 -162.73088 -156.31714 6.41374 2.54832 -155.61242 835.81310
4655.0000 -164.15569 -156.35204 7.80365 2.51178 -156.21522 819.07425
4660.0000 -161.52691 -155.66593 5.86098 2.54656 -155.64144 801.52030
4665.0000 -163.19168 -155.65535 7.53633 2.53681 -155.80230 820.91194
4670.0000 -163.86132 -157.72332 6.13800 2.48857 -156.59816 788.02369
4675.0000 -164.92695 -156.61977 8.30718 2.40244 -158.01898 734.26435
4680.0000 -164.03443 -157.27175 6.76268 2.43214 -157.52897 786.46983
4685.0000 -164.72750 -157.70930 7.01820 2.43288 -157.51684 759.57089
4690.0000 -164.88756 -158.95238 5.93518 2.37042 -158.54711 694.82881
4695.0000 -163.73259 -158.48790 5.24468 2.39736 -158.10269 727.64818
4700.0000 -164.48076 -158.18653 6.29423 2.40584 -157.96278 728.17482
4705.0000 -164.61802 -157.54290 7.07512 2.45252 -157.19279 781.33028
4710.0000 -164.67369 -157.63235 7.04134 2.43192 -157.53264 754.38856
4715.0000 -164.01719 -157.21103 6.80616 2.40568 -157.96552 726.50258
4720.0000 -163.48496 -155.63249 7.85247 2.48248 -156.69853 780.57947
4725.0000 -161.25283 -154.13411 7.11872 2.60065 -154.74922 878.95569
4730.0000 -162.69952 -157.11517 5.58435 2.54310 -155.69863 835.73696
4735.0000 -163.57815 -157.01576 6.56239 2.44575 -157.30453 748.55088
4740.0000 -164.17969 -157.52083 6.65885 2.45170 -157.20640 753.51991
4745.0000 -163.05310 -156.43759 6.61551 2.46414 -157.00118 799.41576
4750.0000 -162.47528 -156.65305 5.82223 2.51569 -156.15069 801.99062
FREEZING PROCESS: loop number 20 T-loop= 740.00000000000000
main_MD> interactions number 20 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.69430 -0.99490 0.90962
force_rgl> df(natom) -1.54576 1.91168 1.68751
4755.0000 -163.08836 -156.73211 6.35625 2.50591 -156.31215 800.39516
4760.0000 -163.50097 -157.44867 6.05230 2.46285 -157.02241 768.02685
4765.0000 -163.82774 -156.45733 7.37041 2.47963 -156.74553 792.07262
4770.0000 -162.68033 -156.06102 6.61931 2.54009 -155.74828 848.54387
4775.0000 -162.78179 -156.75705 6.02474 2.52845 -155.94024 797.33524
4780.0000 -164.24835 -156.79442 7.45393 2.47085 -156.89046 755.29424
4785.0000 -163.96664 -157.93098 6.03566 2.43549 -157.47377 735.43513
4790.0000 -164.14372 -157.53479 6.60893 2.44534 -157.31119 765.72617
4795.0000 -163.42274 -156.77556 6.64718 2.46399 -157.00353 756.03645
4800.0000 -164.13848 -158.05791 6.08056 2.44862 -157.25709 763.49175
4805.0000 -164.76327 -157.72377 7.03950 2.42356 -157.67049 743.85320
4810.0000 -164.59544 -158.25520 6.34024 2.39764 -158.09815 751.78791
4815.0000 -164.22631 -158.36842 5.85789 2.40087 -158.04491 714.88053
4820.0000 -163.29429 -156.96539 6.32890 2.41896 -157.74649 730.56931
4825.0000 -164.56850 -158.12936 6.43913 2.36515 -158.63410 720.77041
4830.0000 -163.91018 -158.55597 5.35421 2.39418 -158.15524 719.80784
4835.0000 -163.61997 -157.95971 5.66027 2.41980 -157.73258 723.29754
4840.0000 -163.65387 -158.04358 5.61029 2.39922 -158.07205 722.46589
4845.0000 -163.25532 -156.95679 6.29853 2.47488 -156.82394 758.71150
4850.0000 -163.26360 -156.28105 6.98255 2.51110 -156.22646 776.65529
4855.0000 -163.05619 -156.22429 6.83190 2.51283 -156.19785 796.75746
4860.0000 -163.33024 -156.21249 7.11775 2.52170 -156.05156 825.46755
4865.0000 -164.24083 -158.19685 6.04398 2.45404 -157.16774 758.71055
4870.0000 -163.87918 -157.54278 6.33640 2.39519 -158.13853 730.90023
4875.0000 -164.03101 -157.40259 6.62842 2.43300 -157.51481 783.05810
4880.0000 -164.93823 -158.09525 6.84297 2.41422 -157.82468 792.61995
4885.0000 -163.17289 -156.43204 6.74086 2.40155 -158.03356 728.30230
4890.0000 -164.59600 -158.67258 5.92342 2.44883 -157.25360 750.13744
4895.0000 -164.70965 -158.24498 6.46467 2.41463 -157.81780 724.71538
4900.0000 -164.28698 -158.12065 6.16633 2.38425 -158.31895 697.38583
4905.0000 -163.83150 -157.19938 6.63213 2.40975 -157.89841 728.19353
4910.0000 -164.76209 -158.05295 6.70914 2.42330 -157.67475 718.62625
4915.0000 -163.38255 -157.07221 6.31034 2.43587 -157.46742 755.70305
4920.0000 -164.53051 -158.45370 6.07682 2.42399 -157.66338 745.28143
4925.0000 -164.47663 -157.83339 6.64324 2.40228 -158.02152 714.39199
4930.0000 -163.93045 -158.26200 5.66845 2.39379 -158.16167 701.83457
4935.0000 -162.92150 -156.08602 6.83548 2.45870 -157.09094 755.62650
4940.0000 -164.10362 -157.96127 6.14235 2.47000 -156.90451 768.88032
4945.0000 -164.36459 -157.97668 6.38791 2.41042 -157.88735 746.03619
4950.0000 -164.51018 -158.96723 5.54295 2.43978 -157.40290 759.12255
4955.0000 -164.02463 -158.91479 5.10984 2.34929 -158.89566 687.50860
4960.0000 -164.79007 -158.52942 6.26065 2.36374 -158.65740 726.02843
4965.0000 -164.24445 -158.41928 5.82517 2.38895 -158.24155 753.19821
4970.0000 -165.15218 -158.86987 6.28231 2.35788 -158.75397 711.19464
4975.0000 -165.02542 -158.54518 6.48023 2.36868 -158.57590 720.89948
4980.0000 -165.35490 -158.62794 6.72696 2.35777 -158.75586 708.89634
4985.0000 -164.07510 -157.78622 6.28888 2.39107 -158.20643 717.37258
4990.0000 -163.67039 -157.70181 5.96858 2.41799 -157.76247 736.10282
4995.0000 -164.18697 -158.25791 5.92906 2.40309 -158.00814 731.88799
5000.0000 -164.07338 -158.16029 5.91309 2.38258 -158.34655 727.67796
FREEZING PROCESS: loop number 21 T-loop= 715.00000000000000
main_MD> interactions number 21 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.78960 2.15802 -1.66716
force_rgl> df(natom) 0.92383 -1.37090 0.79393
5005.0000 -165.23709 -159.27747 5.95962 2.35802 -158.75170 702.10002
5010.0000 -165.22225 -158.15547 7.06679 2.39026 -158.21992 714.38926
5015.0000 -164.40491 -158.39894 6.00597 2.38888 -158.24267 738.90502
5020.0000 -165.96576 -158.71732 7.24845 2.36195 -158.68686 712.36541
5025.0000 -163.81350 -156.86037 6.95313 2.38779 -158.26065 726.69954
5030.0000 -162.90113 -156.78764 6.11349 2.46215 -157.03388 762.00450
5035.0000 -164.63015 -157.64344 6.98672 2.46991 -156.90589 791.14734
5040.0000 -162.50378 -157.28685 5.21693 2.43998 -157.39967 757.57987
5045.0000 -164.70868 -157.66713 7.04155 2.43024 -157.56033 755.11306
5050.0000 -163.74606 -157.93771 5.80835 2.44621 -157.29694 732.85310
5055.0000 -164.13298 -158.59011 5.54287 2.36141 -158.69575 692.42101
5060.0000 -164.50391 -158.11515 6.38877 2.32414 -159.31058 647.93956
5065.0000 -163.53913 -157.88795 5.65118 2.42187 -157.69833 742.82937
5070.0000 -164.01650 -157.39520 6.62130 2.41070 -157.88265 732.92038
5075.0000 -164.07635 -158.01079 6.06557 2.42136 -157.70677 749.40247
5080.0000 -165.16182 -158.63666 6.52517 2.42112 -157.71074 720.26747
5085.0000 -164.52222 -157.89229 6.62993 2.37468 -158.47692 727.87258
5090.0000 -164.60899 -158.39195 6.21704 2.35208 -158.84971 707.16747
5095.0000 -165.55503 -158.47047 7.08457 2.34601 -158.94975 680.62846
5100.0000 -164.84752 -158.75704 6.09048 2.34693 -158.93465 696.59526
5105.0000 -163.30066 -156.44585 6.85480 2.40674 -157.94802 736.83902
5110.0000 -164.87370 -159.25683 5.61687 2.39057 -158.21482 726.96961
5115.0000 -163.66177 -158.62290 5.03887 2.36690 -158.60516 680.33574
5120.0000 -163.79286 -157.00146 6.79141 2.41244 -157.85393 732.40680
5125.0000 -162.80318 -157.09341 5.70976 2.45986 -157.07171 759.21692
5130.0000 -163.82508 -157.90269 5.92239 2.45785 -157.10489 743.87380
5135.0000 -165.15196 -158.25701 6.89495 2.36428 -158.64836 694.57841
5140.0000 -165.11236 -158.88826 6.22410 2.35856 -158.74274 740.59099
5145.0000 -163.80873 -157.23732 6.57141 2.36992 -158.55542 711.16434
5150.0000 -164.91879 -157.69546 7.22333 2.45023 -157.23066 732.51066
5155.0000 -164.91621 -158.80114 6.11507 2.37277 -158.50838 708.28414
5160.0000 -164.90670 -158.07973 6.82697 2.38508 -158.30526 725.81851
5165.0000 -164.65012 -157.61084 7.03928 2.41124 -157.87381 778.40508
5170.0000 -165.01291 -158.61419 6.39873 2.43018 -157.56129 754.51483
5175.0000 -165.11855 -158.48328 6.63527 2.36415 -158.65062 734.40569
5180.0000 -163.74380 -157.45971 6.28409 2.38477 -158.31048 741.82499
5185.0000 -164.12214 -158.43304 5.68910 2.40008 -158.05789 726.71318
5190.0000 -164.74976 -157.46661 7.28315 2.38039 -158.38262 704.65071
5195.0000 -164.11893 -156.54438 7.57455 2.45084 -157.22053 740.88146
5200.0000 -164.39943 -157.67213 6.72730 2.45496 -157.15250 748.46066
5205.0000 -163.55185 -157.34786 6.20399 2.40142 -158.03582 712.27710
5210.0000 -163.91713 -158.62744 5.28968 2.37376 -158.49198 679.24829
5215.0000 -164.23631 -158.28237 5.95394 2.37203 -158.52054 687.65510
5220.0000 -165.44605 -159.57112 5.87493 2.35506 -158.80053 670.58722
5225.0000 -165.84453 -159.83224 6.01229 2.31687 -159.43047 676.94162
5230.0000 -165.79308 -159.46681 6.32626 2.29587 -159.77685 682.88509
5235.0000 -163.54585 -156.98751 6.55834 2.41540 -157.80512 767.09389
5240.0000 -163.47437 -157.30830 6.16607 2.43317 -157.51194 722.43037
5245.0000 -164.77040 -156.13076 8.63964 2.50838 -156.27141 815.97911
5250.0000 -162.00836 -155.67048 6.33787 2.52669 -155.96926 824.63411
FREEZING PROCESS: loop number 22 T-loop= 690.00000000000000
main_MD> interactions number 22 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23245 -0.28873 -2.39754
force_rgl> df(natom) -2.39502 -5.54715 -0.64817
5255.0000 -163.98328 -158.94253 5.04076 2.41433 -157.82280 730.19446
5260.0000 -165.70323 -159.97990 5.72333 2.29845 -159.73430 651.87493
5265.0000 -165.33016 -160.20269 5.12747 2.27894 -160.05617 661.94234
5270.0000 -166.55165 -160.75650 5.79515 2.26560 -160.27630 664.28985
5275.0000 -165.59460 -159.66090 5.93370 2.20604 -161.25883 639.20437
5280.0000 -165.10960 -159.14521 5.96439 2.31907 -159.39420 680.88495
5285.0000 -165.96639 -160.44168 5.52472 2.30865 -159.56611 672.99033
5290.0000 -165.28836 -159.65612 5.63224 2.29713 -159.75609 684.00111
5295.0000 -165.52153 -158.26104 7.26049 2.35165 -158.85684 678.21794
5300.0000 -163.71142 -157.27707 6.43435 2.43308 -157.51342 746.12346
5305.0000 -163.90812 -157.18645 6.72167 2.41056 -157.88498 764.23932
5310.0000 -165.31191 -158.92740 6.38451 2.38793 -158.25828 690.50668
5315.0000 -163.36684 -157.13311 6.23373 2.39280 -158.17790 694.23775
5320.0000 -165.43821 -158.87893 6.55928 2.36909 -158.56901 717.58810
5325.0000 -166.53810 -160.30499 6.23311 2.32541 -159.28970 712.91811
5330.0000 -164.13860 -158.70900 5.42961 2.29510 -159.78962 665.20452
5335.0000 -163.59008 -157.68094 5.90914 2.39376 -158.16215 741.97168
5340.0000 -164.70069 -159.04367 5.65702 2.36974 -158.55838 722.78592
5345.0000 -165.18901 -159.86598 5.32303 2.33607 -159.11382 694.71376
5350.0000 -165.59289 -160.34369 5.24919 2.30042 -159.70187 676.19279
5355.0000 -165.48386 -160.49457 4.98929 2.30105 -159.69149 667.41679
5360.0000 -165.02385 -159.78575 5.23810 2.30034 -159.70323 678.65351
5365.0000 -165.68990 -158.97276 6.71714 2.26920 -160.21688 645.92696
5370.0000 -165.98711 -160.18209 5.80502 2.31401 -159.47774 698.02308
5375.0000 -165.96118 -160.00283 5.95835 2.24482 -160.61903 635.44001
5380.0000 -163.34189 -156.96833 6.37356 2.39093 -158.20883 699.59883
5385.0000 -163.70330 -157.99719 5.70611 2.44376 -157.33726 751.15916
5390.0000 -165.14533 -158.61772 6.52762 2.34889 -158.90226 697.14639
5395.0000 -165.51354 -159.12317 6.39037 2.32830 -159.24198 682.17710
5400.0000 -164.62795 -159.68941 4.93854 2.29908 -159.72405 669.47896
5405.0000 -165.78221 -159.38183 6.40038 2.30097 -159.69286 676.99506
5410.0000 -165.02373 -158.88767 6.13605 2.35345 -158.82709 723.54008
5415.0000 -164.42349 -158.20561 6.21787 2.41307 -157.84361 744.17553
5420.0000 -165.61788 -159.93755 5.68033 2.32316 -159.32675 668.31767
5425.0000 -164.83445 -159.54248 5.29197 2.34538 -158.96026 671.43774
5430.0000 -164.09796 -159.23942 4.85854 2.33553 -159.12275 703.06646
5435.0000 -165.41047 -159.93354 5.47694 2.30192 -159.67708 650.60300
5440.0000 -165.03182 -159.06270 5.96911 2.30775 -159.58088 646.98013
5445.0000 -165.10717 -158.96438 6.14279 2.37414 -158.48575 708.34915
5450.0000 -165.41170 -159.13104 6.28066 2.29940 -159.71876 687.86435
5455.0000 -165.24041 -158.87611 6.36430 2.32495 -159.29724 680.91905
5460.0000 -164.59743 -158.05216 6.54527 2.35641 -158.77819 683.06432
5465.0000 -165.08718 -158.57570 6.51148 2.39165 -158.19686 741.22009
5470.0000 -165.62821 -159.75195 5.87626 2.35281 -158.83770 705.64674
5475.0000 -164.08196 -159.02237 5.05959 2.29983 -159.71154 661.77884
5480.0000 -164.17537 -158.54516 5.63021 2.37975 -158.39316 696.43358
5485.0000 -165.03472 -158.70280 6.33192 2.34044 -159.04173 673.70160
5490.0000 -164.03896 -158.04694 5.99201 2.38729 -158.26890 719.77509
5495.0000 -163.67031 -156.87256 6.79775 2.44841 -157.26062 740.98530
5500.0000 -163.62369 -157.69835 5.92534 2.45366 -157.17399 770.24964
FREEZING PROCESS: loop number 23 T-loop= 665.00000000000000
main_MD> interactions number 23 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.04345 -1.71278 -0.05355
force_rgl> df(natom) -0.43438 0.52351 0.06955
5505.0000 -164.89616 -159.20007 5.69608 2.35720 -158.76526 711.17127
5510.0000 -165.54195 -159.27151 6.27044 2.34666 -158.93903 723.18754
5515.0000 -165.58650 -159.68636 5.90014 2.33370 -159.15282 682.78372
5520.0000 -165.65369 -159.15405 6.49964 2.28369 -159.97786 665.23971
5525.0000 -165.43554 -159.18724 6.24830 2.36956 -158.56134 736.57408
5530.0000 -165.40117 -159.38039 6.02078 2.31024 -159.53990 663.04377
5535.0000 -166.55305 -160.89506 5.65799 2.24254 -160.65674 658.32701
5540.0000 -165.05612 -159.78498 5.27114 2.27457 -160.12832 654.62876
5545.0000 -164.13090 -158.18803 5.94287 2.34327 -158.99503 681.92708
5550.0000 -166.35736 -159.29484 7.06252 2.33287 -159.16663 699.02580
5555.0000 -164.65997 -158.13497 6.52500 2.38184 -158.35871 703.57448
5560.0000 -165.33216 -159.51066 5.82150 2.38828 -158.25255 711.32586
5565.0000 -165.53058 -159.24532 6.28526 2.31545 -159.45388 666.88775
5570.0000 -164.21500 -157.96798 6.24703 2.36096 -158.70315 699.75699
5575.0000 -165.13371 -158.41903 6.71468 2.38842 -158.25023 724.17433
5580.0000 -163.27022 -157.04027 6.22995 2.42195 -157.69717 733.84139
5585.0000 -165.52334 -159.81942 5.70393 2.42318 -157.67688 712.54560
5590.0000 -165.70390 -159.81636 5.88754 2.28916 -159.88764 651.54380
5595.0000 -164.77215 -159.29793 5.47421 2.29139 -159.85086 660.44503
5600.0000 -164.71158 -158.39067 6.32091 2.37007 -158.55285 713.57155
5605.0000 -166.13425 -160.64528 5.48897 2.32666 -159.26906 668.88722
5610.0000 -165.32545 -159.72987 5.59557 2.29737 -159.75212 650.93253
5615.0000 -165.30074 -159.64402 5.65673 2.32905 -159.22959 668.22975
5620.0000 -164.59639 -158.06339 6.53301 2.34464 -158.97237 674.01070
5625.0000 -166.14937 -160.52209 5.62728 2.32245 -159.33849 666.32177
5630.0000 -165.48106 -159.16297 6.31809 2.31744 -159.42115 708.25322
5635.0000 -164.46284 -158.58087 5.88197 2.33524 -159.12753 712.36524
5640.0000 -166.69670 -160.80143 5.89528 2.25956 -160.37590 665.27470
5645.0000 -165.37565 -159.21394 6.16171 2.28067 -160.02763 651.70184
5650.0000 -165.04915 -160.02659 5.02256 2.30960 -159.55037 692.01863
5655.0000 -165.07383 -160.51623 4.55760 2.26771 -160.24140 645.75218
5660.0000 -165.42968 -160.69580 4.73388 2.24810 -160.56488 621.78264
5665.0000 -165.55309 -159.71805 5.83504 2.27579 -160.10812 641.19442
5670.0000 -167.00857 -160.81814 6.19043 2.21159 -161.16724 611.47343
5675.0000 -165.84435 -159.59765 6.24670 2.26927 -160.21565 658.69937
5680.0000 -164.51607 -158.34944 6.16663 2.34722 -158.92992 689.82977
5685.0000 -166.02437 -160.94287 5.08150 2.25603 -160.43410 628.91655
5690.0000 -166.06153 -159.83041 6.23111 2.23714 -160.74570 617.01796
5695.0000 -165.13114 -158.96478 6.16635 2.30481 -159.62948 680.53551
5700.0000 -165.00235 -159.36607 5.63628 2.33162 -159.18725 659.33604
5705.0000 -164.67638 -158.76406 5.91233 2.32535 -159.29055 640.98823
5710.0000 -165.77580 -160.45585 5.31994 2.31478 -159.46491 643.32541
5715.0000 -165.33327 -160.67762 4.65565 2.26386 -160.30490 626.55007
5720.0000 -165.17215 -159.25096 5.92118 2.26141 -160.34544 632.01084
5725.0000 -166.04755 -159.93489 6.11266 2.30243 -159.66877 662.66374
5730.0000 -167.04258 -161.88085 5.16173 2.21432 -161.12214 625.93127
5735.0000 -165.32134 -159.91669 5.40465 2.27400 -160.13764 666.80537
5740.0000 -165.42607 -158.85089 6.57518 2.29673 -159.76267 671.59331
5745.0000 -164.91346 -159.22932 5.68414 2.32932 -159.22512 687.46658
5750.0000 -165.47501 -160.47057 5.00444 2.28842 -159.89990 649.21903
FREEZING PROCESS: loop number 24 T-loop= 640.00000000000000
main_MD> interactions number 24 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -7.21629 -2.88166 -2.10868
force_rgl> df(natom) -1.25279 0.46313 1.79599
5755.0000 -166.32107 -161.51619 4.80488 2.20380 -161.29580 603.32877
5760.0000 -166.41374 -161.28800 5.12573 2.19716 -161.40519 595.96870
5765.0000 -165.47998 -160.35987 5.12011 2.23749 -160.73995 641.48797
5770.0000 -166.25983 -159.54771 6.71212 2.29102 -159.85692 660.06937
5775.0000 -165.69913 -159.26945 6.42968 2.32173 -159.35039 695.80391
5780.0000 -166.97373 -161.56284 5.41089 2.27357 -160.14473 655.00360
5785.0000 -166.66506 -161.49048 5.17458 2.16968 -161.85855 577.74827
5790.0000 -166.71621 -161.36611 5.35010 2.19131 -161.50173 595.38957
5795.0000 -166.96399 -161.30574 5.65825 2.20122 -161.33823 594.19709
5800.0000 -166.28858 -159.94024 6.34834 2.26178 -160.33924 646.50501
5805.0000 -166.30095 -160.37578 5.92517 2.26100 -160.35209 652.00883
5810.0000 -166.95322 -160.65220 6.30102 2.23790 -160.73325 643.22839
5815.0000 -167.25007 -161.57147 5.67860 2.22593 -160.93068 643.42209
5820.0000 -167.29235 -162.11791 5.17444 2.16963 -161.85933 597.45089
5825.0000 -166.48771 -160.99409 5.49362 2.18789 -161.55824 609.72002
5830.0000 -164.92441 -159.58884 5.33557 2.27351 -160.14577 672.46756
5835.0000 -166.94646 -160.58648 6.35998 2.24313 -160.64688 648.91171
5840.0000 -165.69077 -160.85130 4.83947 2.23730 -160.74305 639.16774
5845.0000 -166.39312 -160.71704 5.67608 2.21167 -161.16592 600.59584
5850.0000 -166.16532 -160.77903 5.38629 2.22208 -160.99424 619.15662
5855.0000 -165.82183 -160.47629 5.34554 2.23650 -160.75627 614.45339
5860.0000 -165.25578 -159.11360 6.14218 2.28639 -159.93323 637.56125
5865.0000 -165.90103 -160.82311 5.07792 2.27545 -160.11377 638.60874
5870.0000 -164.82932 -159.40743 5.42189 2.27375 -160.14178 627.69710
5875.0000 -165.26777 -158.66680 6.60098 2.35554 -158.79258 697.80457
5880.0000 -165.68847 -159.65015 6.03832 2.31922 -159.39178 665.34813
5885.0000 -166.62698 -160.42985 6.19713 2.28024 -160.03484 640.73773
5890.0000 -166.23152 -160.71423 5.51729 2.21664 -161.08399 602.24447
5895.0000 -166.79746 -161.94533 4.85212 2.19732 -161.40268 584.28250
5900.0000 -166.32330 -160.77636 5.54694 2.18349 -161.63085 602.23305
5905.0000 -166.65180 -160.83776 5.81403 2.21231 -161.15541 610.54006
5910.0000 -166.09214 -160.20126 5.89089 2.20073 -161.34630 611.50278
5915.0000 -166.56516 -161.37536 5.18980 2.23483 -160.78392 647.44035
5920.0000 -166.19467 -161.58684 4.60783 2.21103 -161.17647 603.14068
5925.0000 -166.90709 -162.56640 4.34069 2.15019 -162.18011 570.44954
5930.0000 -166.87495 -162.63732 4.23763 2.11118 -162.82362 553.74330
5935.0000 -166.28601 -161.81306 4.47296 2.17225 -161.81620 585.56356
5940.0000 -166.05800 -160.40630 5.65171 2.21691 -161.07950 615.03748
5945.0000 -166.40226 -161.19211 5.21015 2.22147 -161.00417 602.18384
5950.0000 -166.64757 -161.66137 4.98621 2.18023 -161.68451 581.99945
5955.0000 -166.61887 -161.35563 5.26323 2.20666 -161.24848 596.97200
5960.0000 -167.16577 -160.98453 6.18123 2.23062 -160.85327 621.49294
5965.0000 -166.53441 -162.17050 4.36392 2.18073 -161.67629 611.51098
5970.0000 -167.27152 -161.98768 5.28384 2.17355 -161.79479 587.76627
5975.0000 -167.13830 -161.91258 5.22572 2.16803 -161.88580 596.99445
5980.0000 -166.31799 -161.56329 4.75469 2.15024 -162.17930 562.94869
5985.0000 -166.46061 -161.40783 5.05278 2.19096 -161.50749 592.01408
5990.0000 -166.65555 -160.69862 5.95693 2.21737 -161.07188 610.83833
5995.0000 -165.56112 -159.36888 6.19224 2.26903 -160.21976 655.70034
6000.0000 -166.21628 -160.06736 6.14892 2.29446 -159.80017 675.02841
FREEZING PROCESS: loop number 25 T-loop= 615.00000000000000
main_MD> interactions number 25 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52772 -0.28879 4.00526
force_rgl> df(natom) -0.33494 -0.36658 1.72208
6005.0000 -167.08585 -161.72183 5.36402 2.24201 -160.66545 630.12834
6010.0000 -168.02809 -162.27433 5.75376 2.17369 -161.79251 595.29720
6015.0000 -165.91327 -160.59465 5.31862 2.22570 -160.93445 625.84158
6020.0000 -166.89752 -162.00082 4.89670 2.23232 -160.82534 634.48957
6025.0000 -166.83955 -161.65612 5.18343 2.11807 -162.70996 526.55048
6030.0000 -166.54532 -161.23632 5.30900 2.20038 -161.35210 598.53294
6035.0000 -166.85022 -161.39147 5.45875 2.22087 -161.01420 618.61209
6040.0000 -166.29205 -161.38462 4.90744 2.16510 -161.93415 584.78708
6045.0000 -166.39453 -160.94515 5.44939 2.24594 -160.60060 617.03756
6050.0000 -166.10030 -161.63365 4.46666 2.21810 -161.05979 592.06076
6055.0000 -165.44145 -160.94206 4.49939 2.22173 -160.99991 590.41725
6060.0000 -167.22216 -162.12258 5.09958 2.18614 -161.58705 565.05182
6065.0000 -166.46216 -161.61258 4.84958 2.17482 -161.77377 575.73612
6070.0000 -166.47125 -160.70483 5.76642 2.20750 -161.23472 606.95470
6075.0000 -164.90221 -160.45867 4.44354 2.24579 -160.60308 631.11474
6080.0000 -165.23885 -159.75173 5.48711 2.25374 -160.47198 600.13058
6085.0000 -165.83600 -161.16011 4.67589 2.25584 -160.43735 599.87858
6090.0000 -165.80074 -160.38428 5.41646 2.20479 -161.27941 589.42631
6095.0000 -166.14468 -160.08247 6.06222 2.28435 -159.96694 657.16085
6100.0000 -164.79760 -159.08268 5.71492 2.30541 -159.61960 676.46978
6105.0000 -165.22164 -159.87708 5.34456 2.32259 -159.33621 660.14570
6110.0000 -166.29114 -160.12979 6.16134 2.30674 -159.59756 655.20422
6115.0000 -166.34959 -161.41753 4.93207 2.23270 -160.81905 642.14065
6120.0000 -166.28511 -161.02144 5.26367 2.20912 -161.20790 626.47625
6125.0000 -166.52532 -161.38711 5.13821 2.20536 -161.27004 601.88830
6130.0000 -167.09311 -162.01151 5.08160 2.12841 -162.53932 552.13410
6135.0000 -165.48879 -161.19665 4.29215 2.16457 -161.94284 577.92916
6140.0000 -166.06174 -161.89164 4.17010 2.19397 -161.45795 570.80551
6145.0000 -164.14419 -159.71138 4.43282 2.24089 -160.68384 617.86044
6150.0000 -165.33817 -159.22898 6.10920 2.30699 -159.59355 653.31835
6155.0000 -165.75989 -160.99767 4.76222 2.26878 -160.22387 646.85033
6160.0000 -166.26942 -160.29189 5.97752 2.24192 -160.66693 620.18788
6165.0000 -167.21411 -161.74610 5.46801 2.21390 -161.12916 609.89189
6170.0000 -166.06455 -161.24493 4.81962 2.21197 -161.16094 605.39532
6175.0000 -167.04094 -162.24772 4.79322 2.19186 -161.49271 562.80668
6180.0000 -165.70509 -160.91200 4.79309 2.19237 -161.48429 585.92361
6185.0000 -166.32713 -161.13408 5.19305 2.23104 -160.84643 615.00915
6190.0000 -166.95777 -161.08462 5.87315 2.23319 -160.81090 644.08477
6195.0000 -166.10385 -161.20738 4.89647 2.27767 -160.07721 681.84177
6200.0000 -166.17127 -160.57575 5.59552 2.23337 -160.80793 638.10875
6205.0000 -165.46493 -159.81762 5.64732 2.25820 -160.39839 605.50427
6210.0000 -165.91462 -161.28426 4.63036 2.28613 -159.93768 622.90137
6215.0000 -166.69054 -161.45037 5.24016 2.19305 -161.47302 583.19575
6220.0000 -166.48352 -161.58862 4.89491 2.19271 -161.47860 600.41859
6225.0000 -165.57147 -160.19987 5.37160 2.21822 -161.05781 629.05932
6230.0000 -167.75438 -161.57032 6.18407 2.20123 -161.33816 606.76685
6235.0000 -165.50157 -160.38533 5.11624 2.23189 -160.83238 649.48624
6240.0000 -165.06347 -159.71848 5.34499 2.26504 -160.28551 648.95114
6245.0000 -166.10824 -160.81318 5.29507 2.24404 -160.63193 615.14866
6250.0000 -165.94740 -160.81754 5.12987 2.22454 -160.95364 589.47496
FREEZING PROCESS: loop number 26 T-loop= 590.00000000000000
main_MD> interactions number 26 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.31107 -3.55716 -0.78653
force_rgl> df(natom) 0.60485 2.11812 -0.73454
6255.0000 -166.74686 -161.21066 5.53620 2.25444 -160.46034 634.74332
6260.0000 -166.60536 -159.91048 6.69488 2.22039 -161.02202 596.27517
6265.0000 -166.24183 -161.63022 4.61161 2.22826 -160.89221 631.96899
6270.0000 -166.59697 -161.36901 5.22796 2.21336 -161.13797 624.27874
6275.0000 -167.16423 -162.45504 4.70919 2.18106 -161.67093 594.32786
6280.0000 -166.72704 -162.14188 4.58516 2.12349 -162.62047 531.63575
6285.0000 -167.77363 -162.94648 4.82715 2.13347 -162.45593 538.66715
6290.0000 -166.37756 -162.32647 4.05109 2.10960 -162.84961 516.95385
6295.0000 -167.08156 -161.40564 5.67592 2.16772 -161.89087 584.19829
6300.0000 -166.54561 -162.20384 4.34177 2.15395 -162.11806 582.36561
6305.0000 -167.26294 -163.04935 4.21359 2.14218 -162.31218 596.40118
6310.0000 -168.27140 -164.05545 4.21595 2.09292 -163.12478 549.88266
6315.0000 -167.40123 -163.16284 4.23840 2.03902 -164.01395 489.90628
6320.0000 -167.32192 -162.65916 4.66276 2.10760 -162.88259 557.98265
6325.0000 -167.94657 -162.73102 5.21555 2.12811 -162.54440 554.67846
6330.0000 -166.85063 -161.06328 5.78735 2.17681 -161.74098 590.48273
6335.0000 -167.59753 -162.30392 5.29361 2.17091 -161.83835 602.46691
6340.0000 -166.35899 -161.74803 4.61096 2.16211 -161.98345 580.39389
6345.0000 -165.82698 -160.95795 4.86904 2.16315 -161.96635 571.99137
6350.0000 -167.71842 -162.68532 5.03310 2.18089 -161.67368 589.85567
6355.0000 -167.32690 -162.85027 4.47663 2.09733 -163.05209 522.14623
6360.0000 -167.33810 -161.66741 5.67068 2.15437 -162.11121 577.10423
6365.0000 -167.19955 -162.84342 4.35613 2.16057 -162.00894 560.07380
6370.0000 -167.60736 -161.97374 5.63361 2.12496 -162.59621 525.42866
6375.0000 -167.48423 -163.15411 4.33012 2.14140 -162.32508 540.24517
6380.0000 -167.42095 -162.19531 5.22564 2.11069 -162.83175 557.03415
6385.0000 -166.88671 -161.33620 5.55051 2.17124 -161.83282 604.19759
6390.0000 -166.74979 -161.59203 5.15776 2.22675 -160.91722 609.65925
6395.0000 -166.93578 -161.39308 5.54269 2.18823 -161.55250 586.34974
6400.0000 -165.07034 -159.81865 5.25169 2.25376 -160.47164 627.64903
6405.0000 -166.24338 -160.65270 5.59068 2.28180 -160.00897 675.83207
6410.0000 -165.17617 -160.25528 4.92089 2.26585 -160.27215 664.21086
6415.0000 -166.16940 -161.10191 5.06748 2.20864 -161.21595 608.06303
6420.0000 -167.22839 -161.19173 6.03666 2.20795 -161.22728 638.27274
6425.0000 -166.94060 -162.36108 4.57952 2.15588 -162.08625 580.05668
6430.0000 -166.46178 -161.51281 4.94898 2.15289 -162.13551 569.87010
6435.0000 -167.03925 -162.25066 4.78859 2.16607 -161.91809 566.69661
6440.0000 -167.03348 -161.44714 5.58634 2.14007 -162.34696 552.70929
6445.0000 -167.39762 -162.05065 5.34697 2.16980 -161.85661 593.50776
6450.0000 -166.76170 -161.64823 5.11348 2.20005 -161.35760 610.16321
6455.0000 -166.69114 -161.87019 4.82095 2.15830 -162.04633 580.22977
6460.0000 -167.03185 -161.73951 5.29234 2.16375 -161.95646 570.45075
6465.0000 -166.74572 -161.57438 5.17135 2.20549 -161.26788 618.83189
6470.0000 -166.57576 -160.81583 5.75993 2.19087 -161.50897 558.59689
6475.0000 -166.47441 -160.44546 6.02896 2.23288 -160.81595 620.21857
6480.0000 -166.86858 -161.16066 5.70792 2.21653 -161.08572 613.95734
6485.0000 -167.31122 -161.56314 5.74807 2.17517 -161.76796 586.22895
6490.0000 -166.11924 -159.82467 6.29457 2.24945 -160.54271 643.74663
6495.0000 -166.61305 -160.91424 5.69881 2.21071 -161.18177 595.49498
6500.0000 -167.09043 -162.60598 4.48445 2.19035 -161.51766 579.58773
FREEZING PROCESS: loop number 27 T-loop= 565.00000000000000
main_MD> interactions number 27 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92398 -0.42471 -1.97035
force_rgl> df(natom) 0.34443 0.40473 -1.03829
6505.0000 -167.57567 -163.36454 4.21113 2.10986 -162.84546 533.20949
6510.0000 -167.37321 -163.17136 4.20185 2.09056 -163.16384 520.06954
6515.0000 -166.61408 -162.24786 4.36622 2.13518 -162.42770 551.68651
6520.0000 -167.36475 -162.65022 4.71453 2.14155 -162.32269 558.99070
6525.0000 -167.37064 -162.57546 4.79518 2.09729 -163.05274 525.05731
6530.0000 -166.08268 -161.52306 4.55963 2.16649 -161.91119 564.25995
6535.0000 -166.94695 -162.44196 4.50499 2.14123 -162.32798 561.87530
6540.0000 -167.04878 -162.31523 4.73355 2.12006 -162.67719 561.93964
6545.0000 -167.22824 -162.79882 4.42943 2.12501 -162.59549 561.07733
6550.0000 -168.17592 -163.44424 4.73168 2.10237 -162.96892 514.99068
6555.0000 -168.83498 -164.09548 4.73950 2.06503 -163.58483 524.29044
6560.0000 -167.43509 -162.06285 5.37224 2.07106 -163.48540 527.33279
6565.0000 -169.18545 -163.93454 5.25091 2.09080 -163.15986 570.39498
6570.0000 -168.14669 -163.93768 4.20901 2.05016 -163.83025 538.03655
6575.0000 -168.76552 -164.50651 4.25900 2.05738 -163.71109 538.98925
6580.0000 -168.97806 -164.26748 4.71058 2.00150 -164.63288 504.46725
6585.0000 -168.73467 -163.00549 5.72918 2.07089 -163.48824 571.80159
6590.0000 -168.26847 -163.07549 5.19298 2.09009 -163.17154 569.99826
6595.0000 -168.01004 -163.29004 4.72000 2.08705 -163.22170 547.37299
6600.0000 -167.56019 -162.13823 5.42196 2.07138 -163.48014 535.97340
6605.0000 -166.31834 -161.21027 5.10807 2.22245 -160.98814 596.53468
6610.0000 -167.71843 -162.40759 5.31084 2.16859 -161.87661 591.45801
6615.0000 -166.46518 -162.14559 4.31959 2.13427 -162.44272 559.11154
6620.0000 -168.19936 -162.33353 5.86583 2.15453 -162.10856 576.23448
6625.0000 -167.10599 -162.43423 4.67176 2.10958 -162.85008 549.87861
6630.0000 -167.37697 -163.03818 4.33879 2.08294 -163.28952 514.58229
6635.0000 -167.05694 -162.07672 4.98022 2.12785 -162.54854 573.03784
6640.0000 -167.99250 -162.45342 5.53908 2.14357 -162.28924 588.17400
6645.0000 -167.86657 -163.69213 4.17444 2.09780 -163.04430 561.44793
6650.0000 -169.79407 -164.75108 5.04298 2.04466 -163.92086 524.28605
6655.0000 -168.52505 -163.67261 4.85244 2.00979 -164.49623 505.57404
6660.0000 -168.42193 -162.34498 6.07695 2.10832 -162.87075 587.40643
6665.0000 -167.51817 -162.30084 5.21734 2.13869 -162.36982 575.42783
6670.0000 -167.87994 -163.30110 4.57884 2.13396 -162.44778 559.14633
6675.0000 -166.97625 -161.43140 5.54485 2.16742 -161.89578 574.64405
6680.0000 -167.11016 -161.98746 5.12270 2.18035 -161.68260 591.92000
6685.0000 -167.40282 -162.33283 5.06999 2.13436 -162.44127 562.17427
6690.0000 -168.62914 -163.95891 4.67023 2.09061 -163.16288 510.19260
6695.0000 -166.76079 -162.69052 4.07026 2.09194 -163.14094 518.99657
6700.0000 -168.06548 -163.11741 4.94808 2.12750 -162.55438 554.35429
6705.0000 -167.64323 -163.02592 4.61731 2.11414 -162.77475 543.99451
6710.0000 -167.26136 -161.89306 5.36830 2.12974 -162.51747 569.73305
6715.0000 -168.17814 -163.42938 4.74876 2.14250 -162.30692 585.76186
6720.0000 -168.08142 -162.82525 5.25617 2.11275 -162.79777 555.89006
6725.0000 -166.28273 -161.10673 5.17600 2.14579 -162.25261 567.68468
6730.0000 -167.22962 -162.28789 4.94173 2.17475 -161.77495 564.18546
6735.0000 -166.70580 -162.38347 4.32233 2.14482 -162.26861 539.20785
6740.0000 -168.10506 -162.47614 5.62892 2.10976 -162.84706 558.85640
6745.0000 -167.82906 -162.68170 5.14736 2.10331 -162.95345 565.77014
6750.0000 -167.32839 -161.97164 5.35675 2.14954 -162.19085 595.14831
FREEZING PROCESS: loop number 28 T-loop= 540.00000000000000
main_MD> interactions number 28 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.36038 -0.67085 -0.75563
force_rgl> df(natom) -0.82826 -0.89333 -0.04047
6755.0000 -166.57258 -162.42866 4.14393 2.10195 -162.97592 554.51312
6760.0000 -166.34677 -161.20718 5.13959 2.17929 -161.70011 592.61228
6765.0000 -166.48165 -161.67862 4.80303 2.17012 -161.85129 597.24276
6770.0000 -166.64391 -161.64778 4.99614 2.16977 -161.85718 563.85989
6775.0000 -167.14415 -161.89544 5.24872 2.18163 -161.66153 590.22928
6780.0000 -167.94462 -163.26804 4.67657 2.10001 -163.00791 528.55610
6785.0000 -167.35703 -163.47246 3.88457 2.08258 -163.29536 502.57366
6790.0000 -166.58007 -162.35454 4.22553 2.12202 -162.64480 517.14528
6795.0000 -166.56336 -161.99219 4.57117 2.13557 -162.42131 553.40335
6800.0000 -166.70875 -162.30362 4.40513 2.13648 -162.40622 557.07911
6805.0000 -166.53225 -161.80749 4.72476 2.16350 -161.96045 541.60423
6810.0000 -167.56356 -163.37411 4.18945 2.13246 -162.47250 542.26542
6815.0000 -166.84015 -162.15413 4.68602 2.07809 -163.36950 498.60207
6820.0000 -168.19903 -163.24088 4.95815 2.15394 -162.11816 575.36014
6825.0000 -168.07791 -163.63470 4.44321 2.08027 -163.33356 511.74126
6830.0000 -167.65582 -162.71431 4.94150 2.11805 -162.71029 537.33220
6835.0000 -167.03495 -162.96191 4.07304 2.11535 -162.75479 534.89064
6840.0000 -166.89425 -162.63353 4.26072 2.14197 -162.31577 545.19454
6845.0000 -167.76210 -162.84096 4.92114 2.12523 -162.59176 535.98667
6850.0000 -168.64883 -163.40520 5.24363 2.10037 -163.00198 530.53751
6855.0000 -168.18292 -164.11624 4.06667 2.07269 -163.45857 499.47144
6860.0000 -167.58512 -163.64506 3.94007 2.05016 -163.83021 492.14418
6865.0000 -167.44415 -162.29343 5.15072 2.10186 -162.97735 544.80526
6870.0000 -166.77741 -162.38748 4.38993 2.16202 -161.98495 564.30659
6875.0000 -167.31553 -161.30320 6.01233 2.19960 -161.36506 622.53398
6880.0000 -166.50341 -160.57768 5.92574 2.21940 -161.03833 612.12494
6885.0000 -167.59382 -161.80210 5.79172 2.20446 -161.28477 622.69848
6890.0000 -166.76202 -160.84226 5.91976 2.16978 -161.85699 596.60365
6895.0000 -167.96714 -162.68554 5.28159 2.17080 -161.84006 590.79848
6900.0000 -167.12992 -161.97258 5.15733 2.12276 -162.63254 543.66178
6905.0000 -167.33734 -162.36615 4.97118 2.16608 -161.91796 559.30775
6910.0000 -168.03251 -162.82169 5.21082 2.11184 -162.81265 532.43705
6915.0000 -166.50723 -161.41829 5.08894 2.13759 -162.38801 531.63102
6920.0000 -166.45669 -162.14933 4.30736 2.17610 -161.75267 584.41916
6925.0000 -167.94950 -162.81281 5.13669 2.10685 -162.89510 532.13072
6930.0000 -166.86599 -162.36308 4.50291 2.14685 -162.23516 554.06597
6935.0000 -165.85964 -161.89345 3.96619 2.15747 -162.06001 567.51491
6940.0000 -166.64335 -161.92520 4.71815 2.18230 -161.65034 591.28402
6945.0000 -167.45795 -163.08881 4.36915 2.12713 -162.56055 547.29588
6950.0000 -167.93402 -162.99005 4.94397 2.10634 -162.90345 528.62061
6955.0000 -168.07315 -164.04552 4.02764 2.04895 -163.85023 497.90803
6960.0000 -168.11445 -162.59371 5.52075 2.07897 -163.35493 521.24381
6965.0000 -167.68139 -162.21474 5.46665 2.14239 -162.30880 586.18108
6970.0000 -166.73766 -162.01657 4.72109 2.14166 -162.32088 560.35752
6975.0000 -167.34886 -162.55173 4.79713 2.14965 -162.18906 574.18015
6980.0000 -167.11885 -161.64604 5.47281 2.16677 -161.90655 588.54706
6985.0000 -167.78387 -162.73215 5.05172 2.13792 -162.38246 559.86797
6990.0000 -166.29353 -161.06933 5.22420 2.16756 -161.89357 570.39308
6995.0000 -167.41101 -162.86249 4.54853 2.14888 -162.20164 557.81063
7000.0000 -167.69277 -162.08662 5.60616 2.13676 -162.40171 538.72356
FREEZING PROCESS: loop number 29 T-loop= 515.00000000000000
main_MD> interactions number 29 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.65840 -3.29656 0.78345
force_rgl> df(natom) 0.83744 -0.37082 -1.47351
7005.0000 -167.54191 -162.81946 4.72244 2.15142 -162.15983 571.85833
7010.0000 -167.41078 -162.91741 4.49337 2.10620 -162.90581 520.47428
7015.0000 -166.93683 -162.38828 4.54855 2.10496 -162.92615 538.19101
7020.0000 -167.38179 -162.30782 5.07397 2.13917 -162.36183 564.38899
7025.0000 -167.55801 -162.95731 4.60070 2.11668 -162.73291 554.80918
7030.0000 -168.29779 -163.61820 4.67959 2.11510 -162.75898 563.29970
7035.0000 -168.60035 -164.71926 3.88109 2.03288 -164.11528 495.53460
7040.0000 -167.80678 -163.68351 4.12327 2.05265 -163.78914 495.01804
7045.0000 -167.09208 -162.79481 4.29727 2.08764 -163.21191 493.85572
7050.0000 -168.39346 -162.99356 5.39990 2.07974 -163.34231 531.84189
7055.0000 -167.14177 -162.62223 4.51954 2.08354 -163.27961 530.54302
7060.0000 -168.30956 -163.78591 4.52365 2.08563 -163.24510 522.81645
7065.0000 -168.66851 -164.28112 4.38739 2.03261 -164.11974 491.43962
7070.0000 -167.93576 -163.19366 4.74210 2.04143 -163.97430 506.52212
7075.0000 -168.21905 -164.07437 4.14468 2.06284 -163.62109 505.01995
7080.0000 -168.80431 -164.29027 4.51404 2.02954 -164.17044 488.65650
7085.0000 -169.59373 -165.20643 4.38730 2.00257 -164.61524 482.21808
7090.0000 -168.76992 -164.82746 3.94246 1.98273 -164.94249 482.56269
7095.0000 -168.72193 -164.59304 4.12889 1.97992 -164.98893 475.73924
7100.0000 -168.31904 -163.90466 4.41438 2.03976 -164.00178 524.68839
7105.0000 -168.71665 -164.92279 3.79386 2.00344 -164.60098 475.81794
7110.0000 -168.31880 -164.30473 4.01407 1.98796 -164.85620 474.43391
7115.0000 -169.05759 -165.14907 3.90852 2.00357 -164.59878 498.47803
7120.0000 -168.93045 -164.38978 4.54067 1.98113 -164.96895 464.67155
7125.0000 -167.87706 -163.37617 4.50089 2.07271 -163.45826 535.89094
7130.0000 -167.66515 -162.81690 4.84824 2.08879 -163.19304 533.60034
7135.0000 -168.27480 -163.18636 5.08844 2.07673 -163.39198 527.21653
7140.0000 -168.02286 -163.49514 4.52771 2.06581 -163.57205 529.63580
7145.0000 -168.58168 -163.98161 4.60006 2.05243 -163.79284 521.18790
7150.0000 -166.75545 -162.92994 3.82551 2.05764 -163.70680 532.33615
7155.0000 -167.74524 -163.16659 4.57865 2.07749 -163.37944 506.34920
7160.0000 -167.89078 -164.01687 3.87390 2.04614 -163.89648 500.14217
7165.0000 -167.66602 -162.94254 4.72348 2.03815 -164.02825 487.26455
7170.0000 -168.02813 -163.48466 4.54348 2.06248 -163.62689 504.82953
7175.0000 -168.69060 -163.57189 5.11871 2.04558 -163.90576 493.84184
7180.0000 -167.79187 -164.07400 3.71787 2.04982 -163.83576 501.59831
7185.0000 -168.38046 -163.35962 5.02084 2.06440 -163.59526 512.56545
7190.0000 -168.53830 -164.44161 4.09668 2.08520 -163.25216 557.72350
7195.0000 -168.75521 -163.94815 4.80706 2.07698 -163.38781 537.16159
7200.0000 -167.86952 -162.94252 4.92699 2.09647 -163.06628 575.21581
7205.0000 -169.23286 -163.97892 5.25394 2.07263 -163.45962 548.91507
7210.0000 -167.79346 -163.60217 4.19129 2.05970 -163.67291 534.00724
7215.0000 -167.02229 -162.99960 4.02269 2.06554 -163.57650 514.68347
7220.0000 -167.00605 -162.47884 4.52721 2.13748 -162.38970 568.01951
7225.0000 -167.91725 -163.30511 4.61214 2.12610 -162.57750 574.93306
7230.0000 -168.76131 -164.50985 4.25146 2.04165 -163.97054 498.41582
7235.0000 -168.85752 -164.29910 4.55842 2.00147 -164.63337 487.13674
7240.0000 -167.60875 -163.50415 4.10460 2.03888 -164.01622 502.27414
7245.0000 -167.62937 -163.39285 4.23651 2.06521 -163.58186 535.07855
7250.0000 -168.93741 -165.01145 3.92596 2.04840 -163.85916 503.22534
FREEZING PROCESS: loop number 30 T-loop= 490.00000000000000
main_MD> interactions number 30 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35325 -1.17804 -1.27156
force_rgl> df(natom) 2.30611 2.03384 -0.28076
7255.0000 -168.12931 -164.33952 3.78979 2.01429 -164.42194 474.08239
7260.0000 -168.86950 -164.67805 4.19145 2.01109 -164.47464 463.29141
7265.0000 -169.08866 -164.75698 4.33168 2.01023 -164.48890 496.88793
7270.0000 -167.81923 -163.46375 4.35548 2.02310 -164.27661 500.32786
7275.0000 -166.86537 -162.69813 4.16724 2.09226 -163.13577 528.46362
7280.0000 -166.90297 -162.59649 4.30649 2.14761 -162.22260 558.53520
7285.0000 -167.37433 -162.68617 4.68816 2.13101 -162.49651 523.71090
7290.0000 -168.35788 -163.80847 4.54941 2.09223 -163.13616 530.04684
7295.0000 -168.23904 -163.77809 4.46094 2.04241 -163.95805 496.20060
7300.0000 -167.79069 -163.64665 4.14405 2.02329 -164.27347 479.74192
7305.0000 -168.94842 -164.57481 4.37360 2.03549 -164.07225 509.90978
7310.0000 -167.79258 -163.85065 3.94193 2.03094 -164.14728 490.58327
7315.0000 -167.82372 -163.95114 3.87258 2.04115 -163.97880 504.91815
7320.0000 -168.44458 -164.69258 3.75200 2.02920 -164.17599 486.56489
7325.0000 -168.45206 -164.13054 4.32152 2.03773 -164.03517 489.47390
7330.0000 -167.99104 -164.43492 3.55612 2.03271 -164.11813 484.04330
7335.0000 -168.00103 -162.92121 5.07982 2.06277 -163.62221 533.20667
7340.0000 -169.08631 -165.29582 3.79049 2.03735 -164.04158 532.78508
7345.0000 -168.36844 -164.74780 3.62064 1.97835 -165.01479 453.02560
7350.0000 -168.92948 -164.37008 4.55940 2.01214 -164.45733 484.48486
7355.0000 -168.48204 -164.30274 4.17930 1.98489 -164.90692 486.30378
7360.0000 -168.98962 -164.22004 4.76959 2.03177 -164.13351 528.07699
7365.0000 -169.20102 -165.49610 3.70492 1.98990 -164.82430 484.45218
7370.0000 -169.07202 -165.02924 4.04278 1.94631 -165.54330 449.42772
7375.0000 -168.39188 -164.08822 4.30366 1.98749 -164.86405 487.81127
7380.0000 -169.08773 -164.57149 4.51624 2.00856 -164.51651 510.19634
7385.0000 -169.45788 -164.32094 5.13695 2.00103 -164.64074 499.11497
7390.0000 -170.05024 -165.54949 4.50075 1.99935 -164.66835 501.70946
7395.0000 -169.46405 -165.51812 3.94592 1.95397 -165.41694 456.02427
7400.0000 -169.99572 -165.33092 4.66480 1.93569 -165.71859 453.74979
7405.0000 -169.17434 -165.75363 3.42071 1.94533 -165.55950 454.70462
7410.0000 -169.52558 -164.84856 4.67701 1.94596 -165.54911 451.10817
7415.0000 -168.28586 -164.05288 4.23298 2.00224 -164.62073 484.97554
7420.0000 -169.28274 -165.23216 4.05058 2.01647 -164.38589 474.61616
7425.0000 -169.04856 -164.74598 4.30257 1.94318 -165.59497 419.92765
7430.0000 -168.70294 -164.91689 3.78605 1.99153 -164.79730 467.47473
7435.0000 -169.58739 -165.23377 4.35362 1.95763 -165.35659 446.13284
7440.0000 -169.37511 -164.79283 4.58228 1.99859 -164.68085 489.25185
7445.0000 -169.00793 -164.01692 4.99101 1.99993 -164.65887 506.04903
7450.0000 -169.28993 -164.98022 4.30971 1.99804 -164.69000 485.67518
7455.0000 -169.06025 -164.79379 4.26646 1.99556 -164.73095 490.63907
7460.0000 -168.67282 -164.86292 3.80990 2.00741 -164.53539 497.82480
7465.0000 -167.83993 -163.50480 4.33513 2.04584 -163.90146 497.67332
7470.0000 -168.46281 -164.39234 4.07048 2.05582 -163.73688 525.56467
7475.0000 -169.16311 -164.86841 4.29470 2.00401 -164.59156 472.57582
7480.0000 -168.81773 -164.56721 4.25051 2.02148 -164.30339 479.43935
7485.0000 -168.64011 -164.21618 4.42394 2.00744 -164.53495 487.92850
7490.0000 -169.56088 -165.72942 3.83146 1.97962 -164.99388 485.75330
7495.0000 -169.05758 -164.50839 4.54920 1.95977 -165.32128 475.59906
7500.0000 -168.52715 -163.69413 4.83302 2.03393 -164.09801 536.76883
FREEZING PROCESS: loop number 31 T-loop= 465.00000000000000
main_MD> interactions number 31 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.27904 -0.06758 2.73747
force_rgl> df(natom) 1.93263 1.35624 0.54360
7505.0000 -169.29837 -164.98843 4.30994 2.00425 -164.58760 510.71689
7510.0000 -169.83828 -165.70516 4.13312 1.96081 -165.30421 477.39649
7515.0000 -170.12014 -165.67089 4.44925 1.92661 -165.86829 439.42909
7520.0000 -169.92583 -164.82109 5.10474 1.96601 -165.21833 466.20095
7525.0000 -168.97995 -164.32455 4.65540 1.98250 -164.94628 489.66421
7530.0000 -169.99496 -165.04331 4.95164 1.99682 -164.71007 512.28418
7535.0000 -168.98456 -164.31962 4.66494 2.01192 -164.46104 517.81637
7540.0000 -168.67937 -164.23360 4.44578 2.02770 -164.20076 522.07965
7545.0000 -168.60891 -164.64100 3.96791 2.02750 -164.20395 508.46030
7550.0000 -168.24431 -163.36020 4.88411 2.03806 -164.02976 497.58730
7555.0000 -168.73357 -163.97065 4.76293 2.03012 -164.16075 520.28225
7560.0000 -168.08195 -164.10824 3.97371 2.03801 -164.03058 510.65588
7565.0000 -167.76645 -163.62894 4.13752 2.06287 -163.62054 514.33647
7570.0000 -169.35585 -165.25540 4.10046 2.02542 -164.23828 504.16983
7575.0000 -170.06736 -166.68722 3.38014 1.91559 -166.05003 434.67395
7580.0000 -169.97472 -166.00611 3.96861 1.89825 -166.33620 413.93753
7585.0000 -169.57774 -165.79698 3.78076 1.93500 -165.72994 449.64561
7590.0000 -169.50616 -165.59064 3.91552 1.94791 -165.51690 456.84894
7595.0000 -169.96498 -166.29691 3.66807 1.90180 -166.27753 421.07896
7600.0000 -170.34452 -166.73255 3.61198 1.89378 -166.40987 419.96768
7605.0000 -169.82378 -166.95579 2.86799 1.86561 -166.87450 399.20074
7610.0000 -169.99244 -165.77034 4.22210 1.91706 -166.02591 438.84829
7615.0000 -168.94636 -165.06121 3.88515 1.96635 -165.21270 466.87270
7620.0000 -169.25694 -165.15006 4.10688 1.96853 -165.17678 467.18729
7625.0000 -168.95747 -165.01291 3.94456 1.97025 -165.14840 487.49851
7630.0000 -169.78464 -165.27372 4.51092 1.95707 -165.36579 471.23623
7635.0000 -170.07450 -166.13890 3.93560 1.93795 -165.68129 455.57585
7640.0000 -169.33309 -165.55768 3.77541 1.93090 -165.79754 440.61835
7645.0000 -169.67257 -166.06325 3.60932 1.93314 -165.76051 456.97359
7650.0000 -168.65353 -165.48553 3.16801 1.91145 -166.11843 436.44900
7655.0000 -169.11272 -164.97211 4.14061 1.99072 -164.81078 483.78036
7660.0000 -169.78082 -165.09268 4.68813 1.98056 -164.97829 476.23752
7665.0000 -169.70588 -166.01020 3.69569 1.92727 -165.85739 423.23648
7670.0000 -170.18494 -166.13405 4.05089 1.90393 -166.24236 411.75061
7675.0000 -169.11932 -165.47159 3.64773 1.91770 -166.01536 430.87589
7680.0000 -168.78896 -164.13609 4.65288 1.97014 -165.15030 472.66386
7685.0000 -168.80978 -164.53556 4.27422 2.04204 -163.96423 522.24291
7690.0000 -168.94957 -164.93959 4.00997 2.02423 -164.25790 519.57188
7695.0000 -170.02044 -165.63600 4.38443 1.96214 -165.28228 466.11317
7700.0000 -169.48678 -165.47594 4.01084 1.94601 -165.54822 446.46383
7705.0000 -169.86085 -166.26870 3.59214 1.94574 -165.55280 446.85778
7710.0000 -169.86380 -165.97164 3.89215 1.93223 -165.77565 436.24228
7715.0000 -168.80141 -165.17164 3.62977 1.92887 -165.83105 432.50014
7720.0000 -168.45274 -164.28594 4.16680 1.98980 -164.82592 480.33274
7725.0000 -169.26689 -165.46557 3.80131 1.99699 -164.70736 488.60675
7730.0000 -169.44717 -165.23487 4.21230 1.95575 -165.38753 461.11340
7735.0000 -169.30514 -165.90228 3.40287 1.93704 -165.69622 455.55693
7740.0000 -169.55744 -166.01075 3.54670 1.92879 -165.83228 450.02496
7745.0000 -170.03985 -166.91765 3.12220 1.90139 -166.28431 422.63585
7750.0000 -169.51819 -165.65632 3.86187 1.89874 -166.32812 418.39379
FREEZING PROCESS: loop number 32 T-loop= 440.00000000000000
main_MD> interactions number 32 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52599 4.84768 -2.33691
force_rgl> df(natom) -0.55278 1.63322 0.76071
7755.0000 -169.96254 -166.16766 3.79488 1.89648 -166.36528 420.94033
7760.0000 -170.16673 -166.74126 3.42547 1.90298 -166.25819 433.25714
7765.0000 -169.38080 -166.43207 2.94873 1.87413 -166.73403 405.04178
7770.0000 -169.49644 -165.83826 3.65818 1.91030 -166.13729 424.58989
7775.0000 -170.00882 -166.68129 3.32753 1.91732 -166.02148 421.47904
7780.0000 -168.75009 -164.89318 3.85690 1.88793 -166.50641 396.83534
7785.0000 -169.44839 -165.80247 3.64592 1.94590 -165.55006 463.15444
7790.0000 -169.65392 -165.83583 3.81809 1.94451 -165.57301 451.75449
7795.0000 -169.96513 -165.91826 4.04687 1.91663 -166.03292 434.07621
7800.0000 -169.75492 -165.83718 3.91775 1.93913 -165.66171 452.91653
7805.0000 -169.88156 -166.05514 3.82642 1.91885 -165.99631 437.24585
7810.0000 -168.74036 -165.25514 3.48522 1.93935 -165.65817 440.27775
7815.0000 -169.00667 -165.23220 3.77447 1.93477 -165.73365 433.66495
7820.0000 -169.78684 -165.96934 3.81750 1.93158 -165.78629 435.56974
7825.0000 -169.35664 -165.52802 3.82862 1.90438 -166.23499 425.41769
7830.0000 -169.88853 -165.80783 4.08069 1.95427 -165.41203 467.90242
7835.0000 -170.66016 -166.58691 4.07325 1.89765 -166.34608 421.50487
7840.0000 -169.71113 -165.68123 4.02990 1.87957 -166.64424 414.16050
7845.0000 -169.45563 -165.37046 4.08517 1.96287 -165.27023 460.81823
7850.0000 -169.48100 -165.75676 3.72424 1.93292 -165.76424 446.96437
7855.0000 -169.18278 -165.80653 3.37624 1.93928 -165.65932 459.14733
7860.0000 -170.68622 -166.26979 4.41643 1.90953 -166.15005 438.28736
7865.0000 -169.38931 -165.94154 3.44777 1.91170 -166.11425 435.53976
7870.0000 -170.92202 -166.56361 4.35841 1.89956 -166.31455 419.82308
7875.0000 -169.33887 -165.41463 3.92424 1.92305 -165.92711 436.49172
7880.0000 -169.01770 -164.74159 4.27611 1.96300 -165.26795 469.49239
7885.0000 -169.80592 -165.82571 3.98021 1.93701 -165.69679 449.29561
7890.0000 -169.74263 -166.11660 3.62603 1.92877 -165.83273 449.91492
7895.0000 -170.59598 -166.61904 3.97695 1.87237 -166.76314 406.79067
7900.0000 -170.13756 -165.93501 4.20255 1.91098 -166.12612 441.04998
7905.0000 -169.67702 -165.69552 3.98150 1.92873 -165.83342 452.63511
7910.0000 -169.92450 -166.30613 3.61837 1.93823 -165.67664 458.66404
7915.0000 -170.08640 -166.35518 3.73122 1.88733 -166.51630 412.58855
7920.0000 -170.04787 -166.36411 3.68376 1.89727 -166.35239 401.38027
7925.0000 -170.29595 -166.50766 3.78829 1.90335 -166.25208 426.66970
7930.0000 -169.57090 -165.87997 3.69092 1.90257 -166.26481 428.43976
7935.0000 -168.84498 -165.36282 3.48216 1.93392 -165.74778 453.83960
7940.0000 -169.70799 -165.73351 3.97448 1.95756 -165.35783 452.33285
7945.0000 -169.12406 -165.56775 3.55631 1.95831 -165.34532 459.46923
7950.0000 -169.29753 -165.97579 3.32174 1.93771 -165.68519 445.94365
7955.0000 -169.59088 -165.57420 4.01667 1.93605 -165.71251 449.07312
7960.0000 -169.57125 -165.28859 4.28266 1.95525 -165.39581 454.03192
7965.0000 -169.73186 -166.11725 3.61461 1.93330 -165.75798 426.22738
7970.0000 -169.28288 -165.04329 4.23959 1.95722 -165.36333 441.12727
7975.0000 -168.68431 -165.74441 2.93990 1.96349 -165.25988 445.92067
7980.0000 -169.07497 -164.99790 4.07708 1.94406 -165.58042 428.89365
7985.0000 -169.08099 -165.16028 3.92071 1.98360 -164.92814 459.63702
7990.0000 -168.97405 -164.73585 4.23820 1.98914 -164.83682 456.52448
7995.0000 -169.27324 -165.06530 4.20794 1.96563 -165.22464 433.14698
8000.0000 -168.77559 -165.32801 3.44758 1.98618 -164.88560 465.46642
FREEZING PROCESS: loop number 33 T-loop= 415.00000000000000
main_MD> interactions number 33 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40434 -1.36940 -2.28809
force_rgl> df(natom) -0.73626 -3.25874 -0.88375
8005.0000 -168.93401 -164.81824 4.11578 1.98137 -164.96501 460.15157
8010.0000 -169.75005 -166.07898 3.67107 1.95674 -165.37133 459.74424
8015.0000 -170.25637 -165.87879 4.37758 1.93770 -165.68531 447.12678
8020.0000 -170.70764 -167.00615 3.70149 1.89398 -166.40660 433.31365
8025.0000 -170.12940 -166.39942 3.72998 1.89007 -166.47114 429.47208
8030.0000 -170.13308 -166.23158 3.90150 1.91023 -166.13855 449.48914
8035.0000 -170.08443 -166.29909 3.78534 1.91320 -166.08949 452.19340
8040.0000 -169.99480 -166.69427 3.30053 1.89002 -166.47187 431.00843
8045.0000 -171.07697 -168.38024 2.69673 1.84213 -167.26188 389.71710
8050.0000 -170.89640 -167.61758 3.27883 1.78761 -168.16133 343.66787
8055.0000 -170.54091 -167.06031 3.48060 1.83712 -167.34460 387.67041
8060.0000 -170.69735 -167.06415 3.63321 1.83273 -167.41705 384.57761
8065.0000 -170.73711 -167.33771 3.39940 1.85287 -167.08481 398.15712
8070.0000 -171.10471 -168.01814 3.08658 1.82260 -167.58412 375.79564
8075.0000 -171.08098 -167.25566 3.82532 1.82475 -167.54859 382.58128
8080.0000 -170.55340 -167.29585 3.25755 1.84484 -167.21720 392.48255
8085.0000 -169.86255 -166.49040 3.37215 1.86964 -166.80812 414.56539
8090.0000 -170.48839 -166.68452 3.80387 1.89467 -166.39520 437.12982
8095.0000 -170.79070 -166.68237 4.10832 1.87773 -166.67461 420.30279
8100.0000 -170.57686 -167.30398 3.27288 1.83746 -167.33887 387.06483
8105.0000 -169.41531 -165.96650 3.44881 1.87756 -166.67737 421.47633
8110.0000 -169.59984 -165.91005 3.68979 1.90385 -166.24378 438.18539
8115.0000 -170.10290 -166.58714 3.51576 1.89492 -166.39105 429.03868
8120.0000 -169.73135 -166.15519 3.57616 1.88549 -166.54657 422.92671
8125.0000 -169.99232 -166.07794 3.91439 1.89537 -166.38363 429.76670
8130.0000 -170.19325 -165.93819 4.25506 1.91062 -166.13201 447.76023
8135.0000 -170.40239 -166.56603 3.83636 1.88261 -166.59422 425.13100
8140.0000 -170.37521 -166.89956 3.47566 1.86602 -166.86785 411.89549
8145.0000 -169.55411 -165.86567 3.68844 1.89421 -166.40276 432.14256
8150.0000 -170.49411 -166.41738 4.07673 1.89062 -166.46197 431.06457
8155.0000 -170.84893 -167.63751 3.21142 1.88707 -166.52060 424.07229
8160.0000 -170.56544 -167.00628 3.55916 1.84768 -167.17029 391.40739
8165.0000 -170.66769 -167.09620 3.57149 1.85475 -167.05374 402.10441
8170.0000 -170.36434 -166.57213 3.79221 1.87224 -166.76525 418.11650
8175.0000 -170.45279 -166.80887 3.64392 1.87345 -166.74519 413.26232
8180.0000 -170.73711 -167.21838 3.51873 1.86877 -166.82248 420.68341
8185.0000 -170.08896 -166.85364 3.23531 1.84257 -167.25469 389.50749
8190.0000 -170.38906 -166.49189 3.89717 1.90909 -166.15726 451.60569
8195.0000 -170.08942 -166.42735 3.66208 1.88501 -166.55458 425.58336
8200.0000 -170.34700 -167.12514 3.22187 1.86541 -166.87782 411.95490
8205.0000 -170.45702 -166.05048 4.40654 1.89572 -166.37784 433.60569
8210.0000 -169.95515 -165.91871 4.03644 1.90920 -166.15550 446.23800
8215.0000 -170.58068 -166.68097 3.89971 1.88066 -166.62630 425.23905
8220.0000 -170.68042 -167.22330 3.45712 1.82801 -167.49485 377.10498
8225.0000 -170.74464 -167.09028 3.65436 1.84869 -167.15373 399.98072
8230.0000 -170.81475 -167.07854 3.73621 1.84810 -167.16346 406.31173
8235.0000 -170.08089 -166.11708 3.96381 1.87661 -166.69311 416.79216
8240.0000 -170.33982 -166.13134 4.20848 1.91822 -166.00675 457.86428
8245.0000 -169.94216 -165.56426 4.37790 1.91719 -166.02375 454.66177
8250.0000 -170.38161 -166.24399 4.13762 1.93440 -165.73977 466.44042
FREEZING PROCESS: loop number 34 T-loop= 390.00000000000000
main_MD> interactions number 34 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06762 -0.41346 0.55594
force_rgl> df(natom) 0.81482 -2.53788 2.87647
8255.0000 -170.95418 -167.70551 3.24867 1.84756 -167.17225 394.25019
8260.0000 -171.25686 -168.14773 3.10914 1.80133 -167.93503 355.73430
8265.0000 -171.59650 -168.70070 2.89580 1.77017 -168.44903 326.20466
8270.0000 -170.92485 -167.66149 3.26336 1.78236 -168.24782 336.67686
8275.0000 -169.65634 -166.21786 3.43848 1.87143 -166.77851 409.96695
8280.0000 -170.73515 -167.01595 3.71920 1.88191 -166.60570 421.30670
8285.0000 -170.97853 -167.52645 3.45208 1.85400 -167.06606 400.08500
8290.0000 -170.80752 -167.43827 3.36924 1.82589 -167.52978 374.29340
8295.0000 -170.68871 -167.68456 3.00415 1.81457 -167.71652 367.33297
8300.0000 -170.43631 -167.34594 3.09037 1.83348 -167.40454 383.93946
8305.0000 -171.06939 -167.67290 3.39648 1.81740 -167.66992 370.40834
8310.0000 -170.67737 -166.75644 3.92093 1.85755 -167.00754 399.75779
8315.0000 -169.89104 -166.17588 3.71517 1.86346 -166.91003 405.38868
8320.0000 -170.78365 -166.86933 3.91431 1.87693 -166.68780 424.22642
8325.0000 -170.61114 -167.19933 3.41181 1.84435 -167.22534 394.87662
8330.0000 -170.51326 -166.53009 3.98317 1.85723 -167.01285 405.84812
8335.0000 -170.75323 -167.27856 3.47467 1.87706 -166.68565 421.04726
8340.0000 -170.51665 -167.20083 3.31582 1.84900 -167.14864 394.60304
8345.0000 -170.59414 -167.32719 3.26695 1.84108 -167.27928 393.91949
8350.0000 -170.98333 -167.56270 3.42063 1.83838 -167.32384 390.00394
8355.0000 -170.47983 -167.37717 3.10265 1.83105 -167.44469 383.21972
8360.0000 -170.61433 -167.56095 3.05338 1.85691 -167.01802 398.93227
8365.0000 -170.77827 -167.79057 2.98770 1.81531 -167.70436 364.97724
8370.0000 -170.39650 -167.40041 2.99609 1.81144 -167.76822 365.36802
8375.0000 -170.19863 -166.45307 3.74556 1.87071 -166.79051 414.22351
8380.0000 -170.09076 -166.77665 3.31411 1.87213 -166.76697 415.43036
8385.0000 -170.93159 -167.16236 3.76924 1.86141 -166.94391 403.82481
8390.0000 -170.48115 -167.43506 3.04609 1.83299 -167.41266 384.01550
8395.0000 -170.99908 -167.91347 3.08561 1.80861 -167.81486 362.24189
8400.0000 -170.80452 -167.13267 3.67185 1.82848 -167.48711 376.40842
8405.0000 -170.77589 -167.42815 3.34775 1.82406 -167.56006 371.08954
8410.0000 -170.99238 -168.05635 2.93603 1.82397 -167.56155 369.11435
8415.0000 -170.07783 -165.60424 4.47359 1.86655 -166.85914 412.29355
8420.0000 -170.39920 -167.20337 3.19584 1.88168 -166.60941 408.95230
8425.0000 -170.56952 -167.20661 3.36292 1.84262 -167.25380 372.41283
8430.0000 -170.28211 -167.41033 2.87178 1.82181 -167.59709 362.53385
8435.0000 -169.94871 -166.92447 3.02424 1.86149 -166.94257 391.91518
8440.0000 -170.00189 -166.29696 3.70493 1.87927 -166.64916 390.45532
8445.0000 -169.51275 -166.44257 3.07017 1.88464 -166.56067 379.34171
8450.0000 -170.22725 -166.52284 3.70441 1.90034 -166.30165 397.06997
8455.0000 -169.97744 -166.67953 3.29790 1.88007 -166.63597 383.16101
8460.0000 -170.31622 -166.91358 3.40264 1.88470 -166.55961 392.35695
8465.0000 -169.84898 -166.68415 3.16482 1.84955 -167.13945 360.70780
8470.0000 -169.99612 -166.36666 3.62946 1.89194 -166.44022 395.81875
8475.0000 -169.54509 -165.89059 3.65450 1.91117 -166.12307 410.33657
8480.0000 -169.92493 -166.38790 3.53703 1.89736 -166.35080 398.44646
8485.0000 -170.52138 -166.41847 4.10291 1.88571 -166.54303 401.51974
8490.0000 -170.55033 -167.26250 3.28783 1.84579 -167.20157 370.29531
8495.0000 -170.94698 -167.49598 3.45100 1.84768 -167.17035 378.03125
8500.0000 -169.86130 -166.15814 3.70315 1.86407 -166.89991 373.71160
FREEZING PROCESS: loop number 35 T-loop= 365.00000000000000
main_MD> interactions number 35 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56399 0.11129 0.10949
force_rgl> df(natom) 0.56205 -0.32784 -1.05630
8505.0000 -170.74685 -166.92315 3.82370 1.88508 -166.55335 404.78699
8510.0000 -170.88389 -166.87573 4.00816 1.86779 -166.83858 406.90804
8515.0000 -170.22218 -167.10962 3.11256 1.84124 -167.27666 410.67993
8520.0000 -171.68497 -168.40120 3.28378 1.81806 -167.65890 384.92966
8525.0000 -171.05570 -167.58262 3.47308 1.80133 -167.93492 374.41528
8530.0000 -171.46990 -167.78164 3.68826 1.80110 -167.93880 375.01696
8535.0000 -171.25475 -167.99493 3.25982 1.80175 -167.92810 378.86973
8540.0000 -171.29363 -168.08645 3.20718 1.79683 -168.00915 373.41979
8545.0000 -171.86338 -168.64969 3.21369 1.77157 -168.42587 347.56785
8550.0000 -171.71089 -168.72582 2.98506 1.74297 -168.89763 321.40894
8555.0000 -171.53137 -168.29349 3.23788 1.75793 -168.65093 332.77405
8560.0000 -171.11217 -167.88464 3.22753 1.79267 -168.07782 368.71892
8565.0000 -170.68376 -167.75654 2.92722 1.79983 -167.95963 374.44209
8570.0000 -171.24328 -168.26234 2.98094 1.79552 -168.03077 365.58331
8575.0000 -171.86332 -168.97517 2.88814 1.73513 -169.02696 311.97305
8580.0000 -171.37839 -168.06390 3.31449 1.77122 -168.43158 347.29869
8585.0000 -171.76871 -168.75997 3.00874 1.76067 -168.60565 335.00435
8590.0000 -171.74503 -168.32760 3.41743 1.76958 -168.45863 342.00370
8595.0000 -170.97057 -167.80274 3.16784 1.81786 -167.66220 386.26869
8600.0000 -171.35154 -167.79876 3.55279 1.81223 -167.75518 382.36763
8605.0000 -171.30638 -168.11830 3.18809 1.79451 -168.04744 369.25209
8610.0000 -170.95187 -167.52418 3.42769 1.80633 -167.85253 381.81938
8615.0000 -171.48687 -168.50755 2.97932 1.77675 -168.34048 349.28317
8620.0000 -171.45504 -168.43149 3.02355 1.75433 -168.71032 332.52152
8625.0000 -169.90185 -167.12287 2.77898 1.80030 -167.95193 371.22962
8630.0000 -170.50174 -167.35519 3.14655 1.83026 -167.45774 392.63727
8635.0000 -171.87571 -168.52014 3.35557 1.79317 -168.06962 366.10336
8640.0000 -171.63325 -168.17401 3.45924 1.77905 -168.30241 350.71690
8645.0000 -171.05851 -168.38339 2.67511 1.80132 -167.93520 371.26622
8650.0000 -171.59263 -168.61203 2.98060 1.76681 -168.50447 345.07236
8655.0000 -170.72358 -167.58865 3.13493 1.78469 -168.20950 355.47683
8660.0000 -170.53308 -166.97386 3.55922 1.82034 -167.62135 388.86315
8665.0000 -171.34628 -168.10863 3.23765 1.81836 -167.65395 390.28225
8670.0000 -171.06153 -167.96464 3.09690 1.79023 -168.11811 363.24113
8675.0000 -171.10205 -168.04800 3.05405 1.80919 -167.80521 377.25760
8680.0000 -171.39845 -168.34940 3.04905 1.78594 -168.18885 360.64144
8685.0000 -171.48986 -168.06515 3.42471 1.78268 -168.24258 354.30189
8690.0000 -171.32914 -168.33319 2.99595 1.77724 -168.33238 352.77826
8695.0000 -171.14091 -167.92014 3.22077 1.78971 -168.12658 360.91312
8700.0000 -171.18212 -166.73501 4.44711 1.83817 -167.32728 400.14541
8705.0000 -170.61384 -166.91029 3.70355 1.86722 -166.84795 431.41538
8710.0000 -171.27122 -167.99448 3.27674 1.83974 -167.30133 403.81434
8715.0000 -171.10811 -168.01327 3.09484 1.78526 -168.20010 357.03131
8720.0000 -171.22009 -167.65139 3.56870 1.80488 -167.87643 377.70371
8725.0000 -171.42829 -168.35728 3.07102 1.80120 -167.93713 371.63010
8730.0000 -171.24349 -168.13179 3.11170 1.77379 -168.38924 348.76115
8735.0000 -171.26596 -167.62110 3.64486 1.80132 -167.93517 372.58243
8740.0000 -171.16760 -167.83056 3.33704 1.81301 -167.74219 379.15017
8745.0000 -171.66316 -168.44156 3.22160 1.77768 -168.32510 350.49281
8750.0000 -171.35417 -168.10820 3.24598 1.78746 -168.16378 358.05687
FREEZING PROCESS: loop number 36 T-loop= 340.00000000000000
main_MD> interactions number 36 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36959 0.60236 0.30001
force_rgl> df(natom) -0.00091 1.40764 -0.64055
8755.0000 -171.64811 -168.48410 3.16401 1.75853 -168.64102 333.69522
8760.0000 -171.59563 -168.71554 2.88009 1.77241 -168.41202 346.78667
8765.0000 -171.65874 -168.55784 3.10090 1.74641 -168.84091 324.82746
8770.0000 -171.37778 -168.31428 3.06351 1.76744 -168.49403 341.88239
8775.0000 -171.36545 -168.42290 2.94254 1.76351 -168.55876 337.66653
8780.0000 -171.76208 -168.87103 2.89105 1.76694 -168.50219 339.84461
8785.0000 -171.52433 -168.88110 2.64323 1.74251 -168.90527 321.11301
8790.0000 -171.71846 -168.28100 3.43746 1.76817 -168.48196 344.83649
8795.0000 -171.39519 -168.22160 3.17360 1.76597 -168.51824 342.66348
8800.0000 -171.43580 -168.72291 2.71289 1.76751 -168.49278 346.59519
8805.0000 -171.83130 -168.45897 3.37233 1.77497 -168.36974 347.31590
8810.0000 -171.15893 -168.08619 3.07273 1.76818 -168.48187 344.69229
8815.0000 -170.78412 -167.71383 3.07029 1.80284 -167.91000 374.32409
8820.0000 -171.37545 -167.75769 3.61776 1.81934 -167.63792 388.51767
8825.0000 -170.92659 -167.98523 2.94136 1.79343 -168.06527 363.52444
8830.0000 -171.97417 -169.01777 2.95640 1.75838 -168.64348 336.59500
8835.0000 -171.82828 -169.13631 2.69197 1.74286 -168.89940 323.24401
8840.0000 -171.72953 -168.77228 2.95725 1.71840 -169.30302 300.01546
8845.0000 -171.09442 -168.03749 3.05693 1.78900 -168.13830 362.94945
8850.0000 -171.51616 -168.32941 3.18676 1.78849 -168.14670 361.01674
8855.0000 -171.92642 -168.85432 3.07210 1.76172 -168.58843 342.55584
8860.0000 -172.24443 -168.69136 3.55306 1.75252 -168.74013 329.95152
8865.0000 -171.49674 -168.45574 3.04100 1.76192 -168.58512 337.52261
8870.0000 -171.38446 -168.43107 2.95340 1.77452 -168.37716 350.00335
8875.0000 -170.86802 -167.74089 3.12713 1.79876 -167.97729 371.54744
8880.0000 -171.04323 -167.88073 3.16251 1.80628 -167.85331 377.43570
8885.0000 -171.91310 -168.23060 3.68250 1.79545 -168.03192 370.57376
8890.0000 -171.64924 -168.48398 3.16526 1.78332 -168.23208 354.60837
8895.0000 -171.24555 -167.36792 3.87763 1.78911 -168.13648 362.15932
8900.0000 -171.49081 -168.31051 3.18030 1.80949 -167.80032 382.97884
8905.0000 -171.64189 -168.60751 3.03438 1.76653 -168.50894 346.50418
8910.0000 -171.34483 -168.47560 2.86924 1.76604 -168.51713 345.53515
8915.0000 -171.90082 -168.47463 3.42618 1.77458 -168.37624 350.47787
8920.0000 -171.21837 -168.42519 2.79318 1.79853 -167.98115 367.29566
8925.0000 -171.79421 -169.40644 2.38778 1.74101 -168.92995 319.06746
8930.0000 -171.49322 -168.45798 3.03524 1.74768 -168.81994 325.60559
8935.0000 -172.19142 -169.43078 2.76064 1.74289 -168.89896 324.32223
8940.0000 -171.62087 -168.78374 2.83713 1.71314 -169.38980 295.88375
8945.0000 -171.82511 -169.04649 2.77862 1.75037 -168.77561 329.51632
8950.0000 -171.49824 -169.00196 2.49629 1.75417 -168.71290 333.19301
8955.0000 -171.87012 -168.64469 3.22543 1.77677 -168.34005 353.36560
8960.0000 -171.42761 -168.47694 2.95067 1.75089 -168.76708 326.90987
8965.0000 -171.43381 -168.58336 2.85045 1.76918 -168.46526 344.23153
8970.0000 -171.03803 -168.47158 2.56645 1.77741 -168.32949 354.35111
8975.0000 -172.10580 -168.99939 3.10641 1.73626 -169.00833 318.31431
8980.0000 -171.47981 -168.69465 2.78515 1.74493 -168.86536 326.47860
8985.0000 -171.47113 -168.46018 3.01095 1.78236 -168.24796 352.79575
8990.0000 -171.77445 -168.70868 3.06577 1.74547 -168.85638 321.03267
8995.0000 -171.42861 -168.53595 2.89266 1.74199 -168.91385 319.31415
9000.0000 -171.92156 -168.54158 3.37998 1.77542 -168.36232 346.65686
FREEZING PROCESS: loop number 37 T-loop= 315.00000000000000
main_MD> interactions number 37 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81056 1.23565 -0.69955
force_rgl> df(natom) -0.52808 -1.12434 -0.11230
9005.0000 -172.31247 -169.12393 3.18854 1.73905 -168.96232 316.39989
9010.0000 -172.22894 -170.03997 2.18897 1.71658 -169.33303 296.28305
9015.0000 -171.78288 -168.97991 2.80297 1.69647 -169.66478 277.28010
9020.0000 -172.06490 -169.75183 2.31306 1.71821 -169.30613 302.79316
9025.0000 -172.34617 -169.78585 2.56032 1.69967 -169.61199 283.95119
9030.0000 -172.11860 -169.62751 2.49109 1.68128 -169.91529 266.59850
9035.0000 -171.50688 -168.75610 2.75078 1.71636 -169.33655 299.67304
9040.0000 -171.68808 -168.77234 2.91573 1.74904 -168.79752 328.10702
9045.0000 -171.63709 -169.10980 2.52729 1.74717 -168.82846 320.28516
9050.0000 -171.78191 -169.10103 2.68088 1.74080 -168.93346 317.05579
9055.0000 -172.48200 -169.11002 3.37199 1.73132 -169.08984 309.15618
9060.0000 -171.89714 -169.05573 2.84141 1.74465 -168.87003 321.46667
9065.0000 -171.86477 -169.04312 2.82165 1.72584 -169.18033 303.92770
9070.0000 -171.82254 -168.79291 3.02963 1.76579 -168.52126 340.63846
9075.0000 -171.78606 -168.84336 2.94270 1.75192 -168.75009 326.83685
9080.0000 -171.60077 -168.68409 2.91668 1.75490 -168.70080 332.73949
9085.0000 -171.57658 -168.65832 2.91826 1.75653 -168.67396 341.22165
9090.0000 -171.81030 -169.23500 2.57530 1.74704 -168.83050 323.52106
9095.0000 -171.52042 -169.11444 2.40598 1.74548 -168.85620 323.23182
9100.0000 -171.95430 -169.23215 2.72215 1.72922 -169.12453 308.44086
9105.0000 -172.31155 -169.16313 3.14842 1.71462 -169.36536 296.33608
9110.0000 -171.67532 -168.86153 2.81379 1.73882 -168.96612 313.99389
9115.0000 -171.81041 -169.31961 2.49080 1.75894 -168.63430 328.36558
9120.0000 -171.79145 -169.61773 2.17371 1.71085 -169.42751 294.80788
9125.0000 -172.17561 -169.68159 2.49402 1.70237 -169.56749 283.60423
9130.0000 -171.64355 -169.45436 2.18919 1.69767 -169.64487 282.06555
9135.0000 -171.81722 -169.23309 2.58413 1.72277 -169.23093 307.30588
9140.0000 -171.52454 -168.50200 3.02253 1.74943 -168.79107 326.81524
9145.0000 -171.21880 -168.48628 2.73252 1.76935 -168.46257 344.46002
9150.0000 -171.42391 -168.29743 3.12649 1.78099 -168.27048 356.04549
9155.0000 -171.93223 -168.67307 3.25916 1.77144 -168.42805 347.13709
9160.0000 -171.53709 -168.51427 3.02282 1.77968 -168.29208 352.55827
9165.0000 -171.74841 -169.24678 2.50163 1.75046 -168.77404 326.89011
9170.0000 -171.94276 -169.11550 2.82725 1.72907 -169.12703 310.98971
9175.0000 -171.82129 -169.18777 2.63352 1.72480 -169.19732 302.18030
9180.0000 -172.05093 -169.42156 2.62937 1.71877 -169.29693 301.73480
9185.0000 -171.18395 -168.35601 2.82794 1.74780 -168.81793 324.36941
9190.0000 -171.59563 -168.85281 2.74282 1.75336 -168.72625 328.23992
9195.0000 -172.01081 -169.27879 2.73202 1.73583 -169.01544 312.86870
9200.0000 -171.65422 -169.22436 2.42986 1.72660 -169.16773 307.88843
9205.0000 -172.32519 -169.99847 2.32672 1.70218 -169.57059 285.64886
9210.0000 -172.03535 -169.64362 2.39173 1.70711 -169.48919 292.78743
9215.0000 -172.05214 -169.55619 2.49595 1.70069 -169.59516 290.66324
9220.0000 -171.90834 -169.43355 2.47479 1.71373 -169.37997 293.43765
9225.0000 -171.78787 -168.70425 3.08362 1.73871 -168.96790 313.00704
9230.0000 -171.12228 -168.51572 2.60656 1.75611 -168.68083 334.08447
9235.0000 -171.66092 -168.77728 2.88364 1.76197 -168.58416 338.69608
9240.0000 -171.74470 -168.54815 3.19655 1.75822 -168.64611 337.55632
9245.0000 -171.57708 -168.92704 2.65004 1.75391 -168.71716 327.48599
9250.0000 -171.94654 -169.38740 2.55914 1.71412 -169.37364 292.52308
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 20.6447960 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink