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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_50/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_50.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 = 50 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 50 5000
main_MD> Size of nv and nvoiz: 50 5000
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 = 50
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> -1.6746445176453052E-002 -1.3762513847561593E-002 -3.0116923771707604E-002 initial drift of cluster / NP1 for coalescence
init> 0.29420503019215677 0.30950185578472783 0.29129162074774462 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5963259085648441E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.48999 0.50080 0.10731
force_rgl> df(natom) 1.22661 0.33323 -0.20367
preparo> THERMALIZATION PROCESS AT 1122.2470827358504
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -108.49821100666216 6.5261990261850045 -115.02441003284716 6.1888795896470900E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 32
FREEZING PROCESS: loop number 1 T-loop= 1097.0000000000000
main_MD> interactions number 1 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26067 -0.15711 0.13867
force_rgl> df(natom) -2.41294 -1.91765 -0.40725
5.0000 -115.08354 -107.49226 7.59128 2.87430 -108.48975 1162.59514
10.0000 -117.11606 -107.37025 9.74581 2.93745 -107.63265 1205.70050
15.0000 -116.35698 -108.65452 7.70246 2.93315 -107.69108 1211.58861
20.0000 -115.24764 -108.64623 6.60141 2.80991 -109.36367 1090.68403
25.0000 -116.67520 -109.59242 7.08278 2.86404 -108.62894 1155.61830
30.0000 -116.35379 -109.08222 7.27157 2.88690 -108.31875 1195.19142
35.0000 -116.73391 -110.54839 6.18552 2.70503 -110.78711 1032.65892
40.0000 -115.90859 -109.55336 6.35523 2.77579 -109.82667 1085.99109
45.0000 -115.47113 -107.27178 8.19936 2.90091 -108.12855 1172.23284
50.0000 -114.03861 -106.35197 7.68663 2.89226 -108.24594 1174.71780
55.0000 -116.66606 -108.42992 8.23614 2.96464 -107.26368 1248.52439
60.0000 -116.65091 -109.44403 7.20688 2.81929 -109.23632 1101.71867
65.0000 -114.99068 -108.30834 6.68233 2.84039 -108.94995 1147.81558
70.0000 -113.21357 -106.69040 6.52317 2.91432 -107.94654 1190.75573
75.0000 -115.54807 -109.39424 6.15383 2.88668 -108.32169 1175.91262
80.0000 -117.00970 -109.00064 8.00906 2.83834 -108.97785 1116.56251
85.0000 -117.84768 -110.88291 6.96478 2.78634 -109.68351 1125.31183
90.0000 -116.64757 -109.63968 7.00789 2.72971 -110.45213 1044.68246
95.0000 -115.61296 -110.23364 5.37932 2.77975 -109.77304 1075.14713
100.0000 -118.09489 -110.53307 7.56183 2.72134 -110.56578 1068.65482
105.0000 -118.33480 -111.07366 7.26114 2.69450 -110.92997 1060.44728
110.0000 -118.16615 -111.72494 6.44122 2.66807 -111.28866 1015.54310
115.0000 -117.73961 -110.97816 6.76145 2.64771 -111.56509 975.32009
120.0000 -116.17088 -109.39630 6.77457 2.79326 -109.58968 1099.10911
125.0000 -116.45354 -109.39962 7.05391 2.78593 -109.68914 1065.95445
130.0000 -115.97444 -109.55725 6.41719 2.87297 -108.50781 1171.61328
135.0000 -117.58242 -110.36620 7.21622 2.82230 -109.19555 1153.26732
140.0000 -115.13935 -109.08746 6.05189 2.74618 -110.22854 1050.36475
145.0000 -116.99634 -110.64489 6.35145 2.78458 -109.70745 1084.33977
150.0000 -115.26450 -108.17953 7.08497 2.83405 -109.03608 1097.33190
155.0000 -113.92844 -107.03825 6.89019 2.91046 -107.99895 1164.71781
160.0000 -115.97828 -108.39225 7.58603 2.90727 -108.04228 1159.44667
165.0000 -115.26263 -108.40640 6.85623 2.81671 -109.27143 1113.13696
170.0000 -115.88509 -108.77770 7.10739 2.88164 -108.39018 1192.27654
175.0000 -115.74164 -108.92458 6.81706 2.83839 -108.97711 1148.69613
180.0000 -117.09793 -110.63125 6.46668 2.73153 -110.42747 1068.13724
185.0000 -116.25286 -109.72968 6.52318 2.77415 -109.84901 1099.96173
190.0000 -117.94177 -110.68327 7.25850 2.73888 -110.32761 1099.95901
195.0000 -117.34588 -109.86740 7.47849 2.69298 -110.95058 1015.58539
200.0000 -116.07053 -107.46812 8.60241 2.86175 -108.66005 1155.77877
205.0000 -117.91278 -111.42875 6.48403 2.82483 -109.16113 1164.19011
210.0000 -117.29259 -110.92231 6.37028 2.66334 -111.35293 994.99813
215.0000 -116.88512 -110.65643 6.22870 2.68934 -111.00009 1035.18393
220.0000 -116.71797 -110.28435 6.43362 2.71758 -110.61681 1054.97220
225.0000 -116.26244 -108.68235 7.58009 2.74427 -110.25450 1070.57254
230.0000 -115.95068 -109.39159 6.55909 2.79675 -109.54220 1136.25141
235.0000 -116.19251 -108.24302 7.94949 2.85734 -108.71990 1171.31701
240.0000 -114.74429 -109.12834 5.61595 2.84037 -108.95018 1126.50193
245.0000 -116.86720 -109.71357 7.15362 2.89310 -108.23459 1167.25569
250.0000 -117.44567 -109.62599 7.81968 2.79458 -109.57169 1118.70815
FREEZING PROCESS: loop number 2 T-loop= 1072.0000000000000
main_MD> interactions number 2 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56551 1.10972 -1.65346
force_rgl> df(natom) 1.25211 4.40509 -3.21082
255.0000 -116.35736 -111.02939 5.32797 2.71359 -110.67098 1038.57438
260.0000 -117.02182 -111.06213 5.95969 2.69804 -110.88195 1028.21455
265.0000 -117.72252 -110.52014 7.20239 2.69395 -110.93752 1030.67775
270.0000 -117.41864 -112.10493 5.31371 2.67036 -111.25760 1020.56252
275.0000 -119.26810 -113.39053 5.87757 2.58498 -112.41648 937.58560
280.0000 -117.99958 -111.06370 6.93588 2.61865 -111.95948 977.51313
285.0000 -117.06496 -110.21093 6.85404 2.70281 -110.81721 1069.08645
290.0000 -114.75659 -107.66562 7.09097 2.81409 -109.30687 1117.11916
295.0000 -115.70105 -108.99562 6.70543 2.88231 -108.38100 1158.53171
300.0000 -114.74018 -107.70068 7.03951 2.88057 -108.40472 1148.59991
305.0000 -115.40145 -106.35764 9.04380 2.96235 -107.29467 1248.47329
310.0000 -116.39631 -110.59268 5.80363 2.88876 -108.29347 1187.98080
315.0000 -117.21102 -108.29345 8.91757 2.85080 -108.80870 1134.34899
320.0000 -118.35352 -111.96766 6.38586 2.75279 -110.13883 1065.20077
325.0000 -116.37580 -109.47696 6.89884 2.72266 -110.54788 1016.56696
330.0000 -117.95285 -111.93207 6.02078 2.72690 -110.49033 1044.01889
335.0000 -116.41829 -110.24421 6.17408 2.72918 -110.45934 1027.94592
340.0000 -115.86131 -109.47846 6.38284 2.73603 -110.36640 1048.28463
345.0000 -118.50855 -111.44907 7.05948 2.75077 -110.16626 1054.98213
350.0000 -117.75850 -111.12115 6.63735 2.60211 -112.18399 938.87917
355.0000 -116.82294 -110.40326 6.41969 2.70524 -110.78419 1043.58037
360.0000 -115.74553 -110.10315 5.64238 2.80736 -109.39833 1112.68964
365.0000 -117.43354 -110.50537 6.92816 2.71684 -110.62683 1039.69573
370.0000 -117.66281 -112.31261 5.35021 2.67386 -111.21014 1019.67550
375.0000 -116.24480 -109.12155 7.12325 2.67059 -111.25446 1044.86688
380.0000 -116.22160 -108.96610 7.25550 2.83996 -108.95587 1112.99394
385.0000 -118.68586 -109.91229 8.77357 2.81886 -109.24221 1110.76510
390.0000 -118.22473 -110.88048 7.34425 2.75823 -110.06507 1068.76036
395.0000 -116.56290 -110.13261 6.43029 2.71775 -110.61448 1035.43530
400.0000 -117.19551 -110.57852 6.61699 2.71985 -110.58597 1058.71014
405.0000 -117.24223 -110.98737 6.25485 2.66528 -111.32655 1007.95723
410.0000 -118.26815 -111.81476 6.45339 2.63356 -111.75710 991.47232
415.0000 -118.22186 -111.70076 6.52109 2.54751 -112.92502 923.29476
420.0000 -118.24883 -110.78894 7.45988 2.63594 -111.72481 966.90122
425.0000 -118.47264 -111.09708 7.37556 2.72660 -110.49435 1056.86775
430.0000 -115.91610 -109.50410 6.41200 2.76143 -110.02167 1076.95477
435.0000 -115.46127 -108.72129 6.73998 2.87036 -108.54325 1136.43982
440.0000 -117.13417 -109.50523 7.62893 2.79181 -109.60930 1091.91537
445.0000 -116.09419 -107.95621 8.13798 2.90089 -108.12881 1177.65296
450.0000 -116.68977 -108.14835 8.54143 2.93672 -107.64256 1204.40853
455.0000 -116.90162 -110.30056 6.60106 2.86940 -108.55630 1140.74181
460.0000 -118.78808 -112.14058 6.64751 2.62772 -111.83640 995.20109
465.0000 -117.18219 -111.63403 5.54816 2.64344 -111.62306 967.14330
470.0000 -118.33312 -112.07521 6.25792 2.59872 -112.22988 950.61100
475.0000 -117.00451 -111.27364 5.73087 2.68120 -111.11054 995.25165
480.0000 -119.18522 -113.52849 5.65673 2.63749 -111.70379 982.45442
485.0000 -119.35072 -113.03069 6.32003 2.49303 -113.66437 881.11621
490.0000 -118.44440 -112.91328 5.53112 2.59414 -112.29216 984.63252
495.0000 -117.41493 -111.04730 6.36763 2.57673 -112.52838 938.11719
500.0000 -116.71629 -109.32791 7.38839 2.77204 -109.87757 1076.12900
FREEZING PROCESS: loop number 3 T-loop= 1047.0000000000000
main_MD> interactions number 3 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.09531 -1.96868 -2.48938
force_rgl> df(natom) 1.24787 1.64423 1.03812
505.0000 -116.81240 -110.93617 5.87623 2.80177 -109.47417 1116.88639
510.0000 -116.04763 -109.65274 6.39488 2.75525 -110.10556 1087.14023
515.0000 -118.17449 -111.47079 6.70370 2.70575 -110.77735 985.13968
520.0000 -116.84138 -107.90791 8.93347 2.76338 -109.99515 1067.73188
525.0000 -115.23039 -108.24432 6.98607 2.91267 -107.96896 1222.15047
530.0000 -116.92162 -110.48208 6.43954 2.74792 -110.20497 1017.51417
535.0000 -116.24103 -110.82740 5.41363 2.74821 -110.20110 1052.47039
540.0000 -116.66430 -110.52060 6.14370 2.71197 -110.69294 1056.64264
545.0000 -117.59097 -109.45380 8.13717 2.71303 -110.67851 1048.83910
550.0000 -117.95245 -111.14053 6.81192 2.76072 -110.03125 1059.36175
555.0000 -117.51385 -110.80099 6.71286 2.69948 -110.86236 1011.30940
560.0000 -115.90413 -109.91812 5.98602 2.74611 -110.22954 1051.81439
565.0000 -116.20584 -110.06618 6.13966 2.78772 -109.66479 1077.72324
570.0000 -117.62221 -110.73700 6.88521 2.74094 -110.29970 1034.07076
575.0000 -114.10703 -109.03071 5.07633 2.77484 -109.83967 1059.42940
580.0000 -117.39443 -109.03946 8.35497 2.82896 -109.10517 1131.15392
585.0000 -118.12119 -109.65505 8.46615 2.81242 -109.32953 1116.44820
590.0000 -118.44179 -112.43589 6.00590 2.67019 -111.25993 1010.63801
595.0000 -118.90839 -112.53140 6.37698 2.58444 -112.42370 938.23930
600.0000 -116.79843 -109.42372 7.37471 2.70003 -110.85498 1051.20694
605.0000 -117.89317 -110.70651 7.18667 2.68901 -111.00456 1028.54099
610.0000 -118.29323 -110.75966 7.53357 2.75214 -110.14777 1095.73312
615.0000 -118.76415 -111.96644 6.79772 2.65562 -111.45766 1036.93381
620.0000 -117.13385 -110.25594 6.87791 2.68634 -111.04077 1026.45081
625.0000 -115.61002 -109.03750 6.57252 2.76518 -109.97072 1111.90228
630.0000 -117.64031 -111.68559 5.95472 2.72882 -110.46427 1068.53250
635.0000 -117.28672 -111.19993 6.08678 2.68444 -111.06648 1026.98091
640.0000 -116.09057 -108.76188 7.32868 2.78151 -109.74909 1092.36623
645.0000 -117.58500 -110.33212 7.25288 2.76880 -109.92160 1074.92041
650.0000 -115.68195 -108.18897 7.49298 2.81930 -109.23621 1133.28195
655.0000 -115.91197 -108.09307 7.81890 2.87561 -108.47193 1165.56664
660.0000 -116.32095 -108.83192 7.48902 2.91603 -107.92341 1183.23596
665.0000 -117.30700 -109.83273 7.47427 2.77921 -109.78032 1096.72662
670.0000 -116.07045 -109.01069 7.05976 2.80621 -109.41386 1127.36903
675.0000 -117.01264 -109.58806 7.42457 2.71325 -110.67554 1038.14768
680.0000 -116.70547 -109.17167 7.53380 2.80060 -109.49004 1143.34091
685.0000 -116.09703 -108.49824 7.59879 2.75625 -110.09187 1080.93355
690.0000 -117.01105 -110.17646 6.83459 2.78860 -109.65291 1112.38934
695.0000 -118.07283 -111.21905 6.85377 2.67932 -111.13606 1028.71683
700.0000 -115.71348 -109.48445 6.22903 2.72817 -110.47297 1046.69960
705.0000 -118.02396 -110.17890 7.84506 2.70333 -110.81019 1052.31052
710.0000 -118.16244 -111.25691 6.90554 2.68399 -111.07262 1019.40563
715.0000 -117.60620 -110.95474 6.65147 2.68115 -111.11114 1017.91308
720.0000 -118.03311 -112.17403 5.85908 2.63387 -111.75294 1029.75918
725.0000 -118.18194 -112.76289 5.41904 2.67996 -111.12731 1022.89808
730.0000 -118.45901 -112.24261 6.21641 2.62634 -111.85506 967.15034
735.0000 -117.49559 -110.07841 7.41718 2.68409 -111.07132 1047.32280
740.0000 -118.28072 -111.55445 6.72627 2.74501 -110.24443 1063.62247
745.0000 -117.58967 -110.68406 6.90561 2.65432 -111.47533 966.29813
750.0000 -117.61271 -110.99738 6.61534 2.75465 -110.11367 1071.89579
FREEZING PROCESS: loop number 4 T-loop= 1022.0000000000000
main_MD> interactions number 4 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.61836 0.40230 0.21305
force_rgl> df(natom) -1.82776 0.96846 1.23202
755.0000 -118.03288 -110.31629 7.71660 2.67025 -111.25907 1006.13288
760.0000 -118.18882 -110.88018 7.30864 2.67614 -111.17916 1027.06439
765.0000 -120.24539 -113.22138 7.02402 2.69783 -110.88478 1059.25651
770.0000 -117.39637 -111.24929 6.14708 2.59156 -112.32715 931.33251
775.0000 -117.50982 -110.39239 7.11743 2.71514 -110.64991 1062.42541
780.0000 -117.30212 -110.69708 6.60504 2.66873 -111.27977 1000.24958
785.0000 -117.83853 -110.87569 6.96285 2.71082 -110.70847 1039.34483
790.0000 -118.50422 -112.78884 5.71538 2.67388 -111.20993 1029.61023
795.0000 -116.36064 -110.54776 5.81288 2.65949 -111.40518 979.81915
800.0000 -118.09336 -111.73655 6.35681 2.70853 -110.73964 1047.45586
805.0000 -118.02325 -112.79277 5.23048 2.65054 -111.52669 981.26624
810.0000 -118.27887 -111.06381 7.21506 2.60561 -112.13645 943.55541
815.0000 -117.69385 -111.62495 6.06890 2.67375 -111.21167 990.86106
820.0000 -119.01031 -113.47381 5.53650 2.55822 -112.77961 960.51332
825.0000 -117.57752 -111.07870 6.49882 2.57583 -112.54061 949.36463
830.0000 -119.06434 -112.37698 6.68737 2.63490 -111.73891 957.10717
835.0000 -118.65296 -111.69777 6.95518 2.61053 -112.06964 974.71472
840.0000 -117.54260 -111.10563 6.43697 2.65978 -111.40129 1003.11100
845.0000 -116.40766 -110.02579 6.38187 2.69398 -110.93704 1039.33249
850.0000 -117.46694 -110.40367 7.06327 2.73371 -110.39789 1035.74782
855.0000 -119.22378 -112.71687 6.50691 2.60678 -112.12049 990.29750
860.0000 -116.93660 -111.35908 5.57752 2.60268 -112.17618 959.19805
865.0000 -118.48167 -110.62085 7.86082 2.71655 -110.63072 995.46907
870.0000 -117.74534 -108.71013 9.03521 2.74541 -110.23906 1011.15540
875.0000 -116.91506 -109.63594 7.27913 2.78065 -109.76075 1104.52456
880.0000 -117.81184 -110.89600 6.91584 2.73271 -110.41148 1059.26964
885.0000 -117.88446 -112.11878 5.76568 2.71493 -110.65270 1070.04414
890.0000 -118.26551 -112.01428 6.25123 2.60769 -112.10819 966.46085
895.0000 -119.63083 -113.00601 6.62482 2.60181 -112.18807 975.02091
900.0000 -118.69229 -112.50891 6.18338 2.57599 -112.53841 933.29823
905.0000 -117.98828 -112.33225 5.65603 2.60119 -112.19644 964.61095
910.0000 -118.59678 -112.44480 6.15198 2.65622 -111.44950 989.47486
915.0000 -118.55384 -112.01080 6.54305 2.60335 -112.16712 922.71720
920.0000 -117.80837 -110.96584 6.84253 2.62063 -111.93256 979.24791
925.0000 -118.10336 -110.88340 7.21997 2.67923 -111.13728 1020.98674
930.0000 -119.20735 -111.45146 7.75589 2.61399 -112.02269 964.63019
935.0000 -116.54582 -109.14072 7.40510 2.72921 -110.45888 1032.15585
940.0000 -114.63173 -108.56851 6.06322 2.84054 -108.94788 1121.39800
945.0000 -116.73831 -109.65661 7.08170 2.84375 -108.90438 1122.79329
950.0000 -116.94664 -109.06554 7.88111 2.80938 -109.37078 1139.75650
955.0000 -116.85428 -109.95682 6.89746 2.81461 -109.29990 1146.24417
960.0000 -118.43807 -111.63770 6.80037 2.69529 -110.91928 999.36018
965.0000 -117.32682 -111.29081 6.03601 2.67983 -111.12916 1012.16610
970.0000 -118.02097 -111.75675 6.26422 2.63620 -111.72131 953.82916
975.0000 -118.19234 -111.11148 7.08086 2.66432 -111.33960 984.11780
980.0000 -117.77306 -110.54650 7.22656 2.73872 -110.32980 1040.87144
985.0000 -116.80247 -110.84111 5.96136 2.70167 -110.83271 1015.61468
990.0000 -117.22709 -109.39470 7.83239 2.79588 -109.55407 1102.80059
995.0000 -116.11614 -108.48206 7.63408 2.82353 -109.17875 1076.37643
1000.0000 -118.65139 -111.52866 7.12273 2.72309 -110.54198 1073.94000
FREEZING PROCESS: loop number 5 T-loop= 997.00000000000000
main_MD> interactions number 5 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.57726 -0.03819 -1.33073
force_rgl> df(natom) -0.57707 -1.67391 -1.85963
1005.0000 -117.92358 -111.34466 6.57893 2.65323 -111.49007 985.59630
1010.0000 -118.44279 -111.32515 7.11764 2.64745 -111.56852 988.00347
1015.0000 -116.42769 -109.28981 7.13788 2.75928 -110.05076 1080.02860
1020.0000 -117.59712 -110.72192 6.87520 2.76588 -109.96118 1089.06982
1025.0000 -117.10518 -110.84983 6.25534 2.63800 -111.69678 980.90170
1030.0000 -119.97887 -113.25696 6.72191 2.59502 -112.28016 986.24589
1035.0000 -118.81128 -112.37457 6.43670 2.51651 -113.34569 916.49234
1040.0000 -118.25577 -111.24938 7.00639 2.67320 -111.21903 1050.94880
1045.0000 -118.25161 -112.50579 5.74582 2.64302 -111.62868 963.83413
1050.0000 -116.39493 -110.47765 5.91728 2.69093 -110.97853 994.04106
1055.0000 -118.51631 -111.28471 7.23160 2.74315 -110.26974 1074.30488
1060.0000 -119.37319 -113.64731 5.72588 2.60947 -112.08404 979.72911
1065.0000 -120.02923 -113.43015 6.59908 2.40862 -114.81000 827.37961
1070.0000 -117.10267 -110.52312 6.57954 2.63891 -111.68448 996.15469
1075.0000 -118.08913 -111.34872 6.74041 2.72617 -110.50014 1045.00010
1080.0000 -118.16148 -110.74994 7.41154 2.62919 -111.81636 982.33275
1085.0000 -117.84537 -111.34634 6.49902 2.68866 -111.00922 1046.95440
1090.0000 -118.95464 -113.64321 5.31143 2.60101 -112.19891 952.04925
1095.0000 -117.89681 -112.65784 5.23897 2.54042 -113.02123 910.67938
1100.0000 -119.00526 -113.20212 5.80313 2.58350 -112.43647 974.83800
1105.0000 -119.14330 -112.18715 6.95615 2.54320 -112.98340 934.63661
1110.0000 -118.40918 -112.47577 5.93341 2.53132 -113.14464 903.80458
1115.0000 -116.57096 -111.18826 5.38270 2.64657 -111.58056 956.81273
1120.0000 -115.72450 -109.75768 5.96682 2.77789 -109.79828 1092.42620
1125.0000 -116.32577 -109.89885 6.42692 2.82197 -109.19999 1110.90464
1130.0000 -116.26418 -109.85016 6.41403 2.76235 -110.00917 1081.89041
1135.0000 -117.73695 -110.38804 7.34891 2.72650 -110.49573 1022.60530
1140.0000 -119.05129 -111.63926 7.41203 2.66550 -111.32357 1016.84830
1145.0000 -115.21340 -109.16317 6.05023 2.70139 -110.83645 1028.11868
1150.0000 -117.41677 -111.70297 5.71380 2.73160 -110.42646 1053.59778
1155.0000 -118.83962 -112.17277 6.66685 2.61021 -112.07399 949.23456
1160.0000 -117.41766 -110.92219 6.49547 2.64548 -111.59535 963.88259
1165.0000 -117.39447 -111.37675 6.01772 2.63438 -111.74603 1016.64805
1170.0000 -116.71950 -111.39934 5.32016 2.61725 -111.97838 966.62037
1175.0000 -118.36395 -109.95852 8.40543 2.74645 -110.22494 1083.64714
1180.0000 -116.84405 -109.69551 7.14854 2.79426 -109.57611 1143.46641
1185.0000 -117.90986 -110.85970 7.05017 2.77194 -109.87902 1051.84909
1190.0000 -118.87304 -113.13825 5.73479 2.57265 -112.58380 931.86569
1195.0000 -117.57066 -111.40098 6.16968 2.61382 -112.02503 992.11962
1200.0000 -117.64100 -110.69957 6.94143 2.65050 -111.52722 991.26342
1205.0000 -118.44979 -112.93376 5.51603 2.61698 -111.98218 976.28838
1210.0000 -118.28884 -111.97934 6.30951 2.60653 -112.12390 986.32989
1215.0000 -117.03724 -111.04975 5.98749 2.60446 -112.15208 943.34492
1220.0000 -119.06752 -111.22362 7.84389 2.64924 -111.54427 978.59108
1225.0000 -120.30036 -114.47845 5.82191 2.56202 -112.72805 953.39115
1230.0000 -119.30308 -112.63924 6.66384 2.51223 -113.40381 879.37994
1235.0000 -118.50197 -111.80693 6.69504 2.54664 -112.93673 922.47588
1240.0000 -118.47960 -111.37372 7.10588 2.60788 -112.10565 993.92692
1245.0000 -117.74890 -112.46969 5.27921 2.68420 -111.06974 1040.18373
1250.0000 -117.46036 -110.06520 7.39516 2.66760 -111.29515 1032.14381
FREEZING PROCESS: loop number 6 T-loop= 972.00000000000000
main_MD> interactions number 6 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89897 3.39009 -1.09375
force_rgl> df(natom) 3.96316 -1.61840 -0.42945
1255.0000 -118.45197 -112.25923 6.19274 2.62505 -111.87265 991.11203
1260.0000 -118.77500 -113.00404 5.77096 2.60347 -112.16552 964.75944
1265.0000 -119.68798 -113.54493 6.14305 2.46426 -114.05485 843.00157
1270.0000 -118.71790 -113.39733 5.32057 2.52149 -113.27809 894.59028
1275.0000 -118.80101 -112.09996 6.70105 2.53467 -113.09922 897.26824
1280.0000 -118.16497 -110.98068 7.18429 2.67208 -111.23428 996.23096
1285.0000 -118.27772 -111.62725 6.65047 2.65142 -111.51472 1025.25846
1290.0000 -117.18553 -109.17302 8.01251 2.71707 -110.62363 1052.30533
1295.0000 -117.10297 -110.04733 7.05564 2.86602 -108.60213 1171.10281
1300.0000 -118.67108 -112.11016 6.56092 2.67295 -111.22254 1016.70155
1305.0000 -117.21471 -109.85894 7.35577 2.76061 -110.03273 1094.59091
1310.0000 -116.23170 -110.30467 5.92703 2.70294 -110.81548 1053.12837
1315.0000 -117.01185 -109.76111 7.25073 2.77301 -109.86452 1063.32029
1320.0000 -117.53128 -110.03748 7.49380 2.78065 -109.76072 1075.59641
1325.0000 -117.43036 -111.72354 5.70681 2.63491 -111.73872 995.74419
1330.0000 -119.21302 -113.85946 5.35356 2.53808 -113.05289 919.47514
1335.0000 -119.59541 -113.53333 6.06208 2.51669 -113.34327 903.18357
1340.0000 -117.12611 -111.29957 5.82654 2.53445 -113.10224 948.35432
1345.0000 -116.49623 -108.77304 7.72319 2.78314 -109.72704 1099.52898
1350.0000 -117.70488 -111.46536 6.23952 2.82529 -109.15486 1098.98999
1355.0000 -117.05219 -109.88726 7.16493 2.77574 -109.82745 1121.19773
1360.0000 -115.97235 -109.58292 6.38943 2.76595 -109.96035 1109.08283
1365.0000 -116.04538 -110.58765 5.45774 2.78170 -109.74650 1067.16184
1370.0000 -116.77496 -109.78099 6.99397 2.70403 -110.80073 1036.56983
1375.0000 -117.24502 -112.09122 5.15380 2.73215 -110.41901 1043.05473
1380.0000 -118.45390 -112.18146 6.27244 2.59785 -112.24173 958.35279
1385.0000 -118.30180 -112.48331 5.81849 2.59999 -112.21268 930.06047
1390.0000 -118.29244 -113.41947 4.87297 2.57083 -112.60848 884.52562
1395.0000 -117.93787 -111.66341 6.27446 2.57724 -112.52146 932.41881
1400.0000 -117.68089 -111.78863 5.89227 2.62519 -111.87075 967.78366
1405.0000 -117.17281 -109.91041 7.26240 2.68557 -111.05125 1023.74607
1410.0000 -118.27510 -110.07866 8.19644 2.69595 -110.91028 1004.58329
1415.0000 -118.85355 -111.65771 7.19583 2.70478 -110.79052 1020.23468
1420.0000 -117.10369 -109.75170 7.35199 2.67913 -111.13857 1021.42383
1425.0000 -118.15269 -109.91266 8.24003 2.77862 -109.78830 1116.86935
1430.0000 -117.91421 -110.18930 7.72491 2.77669 -109.81457 1048.16864
1435.0000 -118.19026 -111.79270 6.39757 2.69825 -110.87907 998.19463
1440.0000 -117.05635 -110.98963 6.06672 2.63838 -111.69174 990.05979
1445.0000 -116.01821 -109.16603 6.85217 2.71271 -110.68290 1020.93192
1450.0000 -117.13218 -109.17870 7.95348 2.81470 -109.29864 1158.76888
1455.0000 -117.19452 -110.93132 6.26320 2.73193 -110.42196 1019.60418
1460.0000 -117.79936 -112.39143 5.40792 2.60430 -112.15425 930.24888
1465.0000 -118.24804 -111.95872 6.28932 2.62623 -111.85660 990.72687
1470.0000 -118.76813 -111.69535 7.07278 2.56574 -112.67753 922.82980
1475.0000 -119.83413 -113.52614 6.30798 2.56775 -112.65027 890.57205
1480.0000 -118.39573 -112.73729 5.65844 2.45860 -114.13166 869.76223
1485.0000 -118.24463 -111.63448 6.61015 2.61383 -112.02487 949.89950
1490.0000 -119.41725 -113.65639 5.76086 2.57002 -112.61952 952.66138
1495.0000 -119.24054 -112.74794 6.49260 2.59165 -112.32591 951.36296
1500.0000 -117.91106 -111.30325 6.60781 2.65003 -111.53355 1013.74888
FREEZING PROCESS: loop number 7 T-loop= 947.00000000000000
main_MD> interactions number 7 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80288 -3.94941 0.87659
force_rgl> df(natom) 2.52560 1.04351 -3.02729
1505.0000 -116.82322 -111.49699 5.32623 2.62229 -111.91002 992.26493
1510.0000 -118.71793 -111.53469 7.18325 2.67145 -111.24287 1002.65703
1515.0000 -118.46753 -111.89668 6.57085 2.58169 -112.46111 935.28232
1520.0000 -116.47120 -109.87582 6.59539 2.66105 -111.38400 971.07006
1525.0000 -117.32784 -110.78031 6.54753 2.69581 -110.91222 1029.68843
1530.0000 -117.99443 -111.55937 6.43505 2.60832 -112.09964 968.78807
1535.0000 -117.25765 -111.80348 5.45418 2.60033 -112.20806 1008.93501
1540.0000 -117.84563 -112.66185 5.18379 2.59438 -112.28882 932.40776
1545.0000 -118.96341 -114.11430 4.84911 2.50332 -113.52478 906.86283
1550.0000 -118.79543 -113.71649 5.07895 2.42482 -114.59018 817.01983
1555.0000 -119.46202 -114.33761 5.12441 2.42334 -114.61018 818.21473
1560.0000 -118.55729 -113.54935 5.00793 2.47432 -113.91836 880.74454
1565.0000 -117.54067 -112.79751 4.74316 2.52609 -113.21565 911.27731
1570.0000 -118.26834 -112.56689 5.70145 2.56975 -112.62316 906.84792
1575.0000 -119.16864 -114.47352 4.69513 2.51573 -113.35635 923.18892
1580.0000 -118.61038 -113.91718 4.69319 2.44401 -114.32965 818.61284
1585.0000 -120.39283 -114.99607 5.39676 2.41536 -114.71848 802.33101
1590.0000 -119.67357 -114.88703 4.78654 2.44498 -114.31658 858.01231
1595.0000 -119.62613 -113.92220 5.70392 2.46438 -114.05323 887.09636
1600.0000 -119.57246 -113.32762 6.24484 2.47281 -113.93880 850.44711
1605.0000 -119.65769 -114.04262 5.61507 2.53126 -113.14557 924.00191
1610.0000 -118.85580 -112.57330 6.28249 2.56571 -112.67797 932.81039
1615.0000 -118.01050 -111.09283 6.91767 2.59774 -112.24323 920.28485
1620.0000 -118.20612 -112.40093 5.80519 2.63111 -111.79029 1009.04645
1625.0000 -119.79192 -114.63504 5.15688 2.54277 -112.98935 959.31409
1630.0000 -119.00700 -114.14244 4.86456 2.48928 -113.71526 901.45448
1635.0000 -119.83128 -114.37720 5.45408 2.50850 -113.45445 920.71732
1640.0000 -119.88553 -114.92231 4.96322 2.40554 -114.85184 822.87958
1645.0000 -118.06036 -112.68833 5.37202 2.50993 -113.43499 861.27975
1650.0000 -119.20987 -113.32394 5.88593 2.55682 -112.79859 919.62162
1655.0000 -120.54711 -115.77737 4.76974 2.43807 -114.41028 850.61587
1660.0000 -119.55510 -114.64735 4.90775 2.36636 -115.38354 787.96124
1665.0000 -119.50560 -113.78870 5.71690 2.42543 -114.58186 845.93999
1670.0000 -120.19003 -114.96215 5.22788 2.45079 -114.23760 842.33226
1675.0000 -118.53344 -113.04194 5.49150 2.46677 -114.02084 871.76260
1680.0000 -119.24033 -112.88617 6.35417 2.57886 -112.49942 900.27335
1685.0000 -116.94181 -110.46892 6.47289 2.66379 -111.34686 1011.21036
1690.0000 -116.82027 -109.54156 7.27871 2.78368 -109.71966 1060.20292
1695.0000 -118.04307 -113.06337 4.97970 2.72726 -110.48535 1053.78968
1700.0000 -118.49517 -112.37159 6.12358 2.56007 -112.75450 915.43432
1705.0000 -120.20658 -113.65338 6.55320 2.51261 -113.39864 845.66493
1710.0000 -120.35191 -113.74664 6.60527 2.47591 -113.89667 858.30163
1715.0000 -118.72954 -111.92779 6.80175 2.55171 -112.86791 921.71045
1720.0000 -118.11342 -111.61867 6.49475 2.59069 -112.33898 976.50679
1725.0000 -119.61601 -113.05178 6.56423 2.65978 -111.40117 1035.33079
1730.0000 -118.95441 -113.92480 5.02961 2.51561 -113.35791 892.28437
1735.0000 -118.36141 -112.12361 6.23781 2.61054 -112.06958 1000.93827
1740.0000 -119.02948 -111.57509 7.45439 2.61835 -111.96357 995.26982
1745.0000 -118.03102 -112.72590 5.30512 2.62807 -111.83156 976.19253
1750.0000 -118.06721 -110.81175 7.25546 2.68450 -111.06578 1032.53837
FREEZING PROCESS: loop number 8 T-loop= 922.00000000000000
main_MD> interactions number 8 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.97366 3.79362 -2.83793
force_rgl> df(natom) 2.00915 -0.00783 0.61175
1755.0000 -117.89510 -111.96060 5.93450 2.69620 -110.90688 1038.68025
1760.0000 -117.34121 -111.18587 6.15534 2.70735 -110.75562 1065.23187
1765.0000 -119.61196 -114.28233 5.32963 2.56264 -112.71963 934.76125
1770.0000 -118.74237 -113.47645 5.26592 2.46965 -113.98173 829.80777
1775.0000 -119.34430 -113.34797 5.99633 2.48275 -113.80389 827.68434
1780.0000 -119.17439 -113.13126 6.04313 2.53659 -113.07315 873.20900
1785.0000 -119.13483 -113.78389 5.35094 2.51394 -113.38054 902.85235
1790.0000 -117.50935 -112.04616 5.46319 2.52681 -113.20585 930.35352
1795.0000 -117.97890 -111.96864 6.01026 2.61552 -112.00192 974.85828
1800.0000 -118.63078 -112.35657 6.27421 2.61360 -112.02792 957.37565
1805.0000 -118.97777 -113.11683 5.86094 2.57046 -112.61344 920.28678
1810.0000 -120.11356 -113.19567 6.91788 2.52105 -113.28413 911.16023
1815.0000 -119.40460 -114.45717 4.94743 2.48942 -113.71334 859.42810
1820.0000 -119.12573 -113.28083 5.84489 2.47666 -113.88657 871.49593
1825.0000 -118.35336 -112.62799 5.72537 2.52819 -113.18715 889.94293
1830.0000 -117.91913 -111.16207 6.75705 2.67098 -111.24929 1018.71367
1835.0000 -117.73849 -110.98526 6.75323 2.63524 -111.73436 982.12694
1840.0000 -119.60200 -112.62781 6.97418 2.66440 -111.33849 1002.24206
1845.0000 -119.93447 -112.63773 7.29674 2.56842 -112.64118 938.85998
1850.0000 -120.29211 -114.75996 5.53215 2.44788 -114.27712 865.88990
1855.0000 -120.81352 -114.73577 6.07776 2.46932 -113.98611 891.96441
1860.0000 -117.97478 -112.85492 5.11986 2.51346 -113.38716 914.73210
1865.0000 -118.79608 -112.92165 5.87443 2.59601 -112.26670 960.87651
1870.0000 -119.73256 -113.71446 6.01810 2.53385 -113.11037 920.36485
1875.0000 -120.21809 -114.99568 5.22241 2.45331 -114.20349 843.14359
1880.0000 -118.56228 -112.24026 6.32202 2.49001 -113.70536 903.20306
1885.0000 -118.86891 -113.65546 5.21345 2.57655 -112.53085 922.47358
1890.0000 -118.03684 -112.55512 5.48173 2.53073 -113.15268 925.86919
1895.0000 -118.95975 -113.64984 5.30990 2.47443 -113.91675 891.23464
1900.0000 -118.88750 -112.73338 6.15412 2.54620 -112.94270 895.60818
1905.0000 -120.02353 -113.74857 6.27495 2.53163 -113.14051 937.86507
1910.0000 -119.15068 -112.14644 7.00423 2.55920 -112.76628 940.76359
1915.0000 -119.01170 -113.21906 5.79264 2.58502 -112.41583 973.29193
1920.0000 -118.88115 -113.81817 5.06298 2.56836 -112.64196 969.52408
1925.0000 -119.38485 -113.48247 5.90238 2.51967 -113.30276 884.26255
1930.0000 -120.22855 -115.26719 4.96136 2.45465 -114.18533 846.07819
1935.0000 -120.30889 -113.92114 6.38776 2.41776 -114.68597 814.33929
1940.0000 -117.58467 -112.53396 5.05071 2.55152 -112.87055 943.57779
1945.0000 -117.60061 -111.99040 5.61021 2.61458 -112.01476 970.22218
1950.0000 -120.22901 -115.12068 5.10833 2.50524 -113.49871 886.15902
1955.0000 -120.01244 -115.01599 4.99645 2.41615 -114.70783 834.60656
1960.0000 -119.25846 -114.33875 4.91971 2.38500 -115.13061 820.34642
1965.0000 -119.89364 -113.27758 6.61606 2.45167 -114.22574 845.55586
1970.0000 -118.98896 -113.47807 5.51089 2.52761 -113.19500 928.56708
1975.0000 -119.86113 -115.37359 4.48754 2.42826 -114.54351 853.66584
1980.0000 -119.44342 -114.20904 5.23439 2.41005 -114.79061 826.02169
1985.0000 -118.34167 -111.34893 6.99274 2.55002 -112.89095 864.63153
1990.0000 -118.33677 -112.11267 6.22410 2.54631 -112.94121 908.36439
1995.0000 -118.89886 -112.89726 6.00160 2.61237 -112.04475 977.55084
2000.0000 -118.88327 -112.20235 6.68092 2.56882 -112.63577 953.63576
FREEZING PROCESS: loop number 9 T-loop= 897.00000000000000
main_MD> interactions number 9 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27059 -3.48784 -3.99640
force_rgl> df(natom) -2.04948 -1.54714 -0.82353
2005.0000 -118.60010 -112.66387 5.93622 2.59996 -112.21312 1019.32652
2010.0000 -118.70517 -113.09450 5.61067 2.54834 -112.91376 910.89479
2015.0000 -118.23780 -113.03581 5.20199 2.54268 -112.99054 949.09775
2020.0000 -119.79935 -113.84069 5.95867 2.53531 -113.09060 911.41391
2025.0000 -120.33687 -114.33954 5.99733 2.51147 -113.41415 892.08379
2030.0000 -120.86251 -115.75315 5.10936 2.42381 -114.60384 832.54195
2035.0000 -120.12918 -113.65323 6.47595 2.43927 -114.39403 862.37101
2040.0000 -119.71135 -113.83024 5.88111 2.51688 -113.34063 892.10671
2045.0000 -118.04912 -113.12212 4.92699 2.56717 -112.65809 937.05207
2050.0000 -119.34839 -114.30420 5.04419 2.48502 -113.77303 831.94221
2055.0000 -118.56957 -112.60972 5.95985 2.49190 -113.67974 879.26168
2060.0000 -117.47793 -110.44945 7.02848 2.68275 -111.08952 1016.54039
2065.0000 -117.93843 -111.04528 6.89315 2.72449 -110.52296 1044.07559
2070.0000 -118.01183 -111.91161 6.10022 2.66848 -111.28315 1018.27988
2075.0000 -119.13417 -113.76686 5.36731 2.56400 -112.70110 939.91687
2080.0000 -120.51797 -115.48209 5.03588 2.42325 -114.61137 875.89983
2085.0000 -120.21357 -114.79114 5.42243 2.37587 -115.25443 809.75206
2090.0000 -119.56939 -113.55810 6.01130 2.51490 -113.36762 874.91719
2095.0000 -119.75471 -113.72037 6.03434 2.48280 -113.80328 887.84415
2100.0000 -119.54409 -113.04225 6.50184 2.47014 -113.97507 875.73306
2105.0000 -118.02967 -113.10741 4.92226 2.50961 -113.43937 892.61724
2110.0000 -118.56477 -113.93436 4.63042 2.52103 -113.28442 880.43593
2115.0000 -118.92104 -113.42705 5.49400 2.49385 -113.65324 892.42816
2120.0000 -119.44038 -113.68244 5.75794 2.52033 -113.29391 901.23113
2125.0000 -118.83233 -113.37185 5.46048 2.51760 -113.33087 885.49274
2130.0000 -118.99733 -113.32904 5.66829 2.51046 -113.42783 876.91877
2135.0000 -118.98141 -113.43086 5.55055 2.50887 -113.44938 909.88412
2140.0000 -118.48539 -113.71072 4.77467 2.51060 -113.42586 904.14812
2145.0000 -119.05273 -112.00071 7.05202 2.49551 -113.63073 874.40808
2150.0000 -118.53817 -113.45986 5.07831 2.55786 -112.78443 914.74364
2155.0000 -120.09318 -114.58776 5.50541 2.48941 -113.71347 879.40130
2160.0000 -118.90509 -112.97809 5.92700 2.52212 -113.26952 906.22035
2165.0000 -119.78575 -113.89797 5.88778 2.51916 -113.30981 861.42150
2170.0000 -119.77557 -113.38141 6.39416 2.46802 -114.00384 878.55489
2175.0000 -119.59348 -112.20169 7.39179 2.58115 -112.46837 926.12182
2180.0000 -120.01509 -114.57053 5.44457 2.52652 -113.20985 858.63921
2185.0000 -119.39212 -114.12955 5.26257 2.42344 -114.60889 829.41007
2190.0000 -119.71825 -114.37172 5.34654 2.45981 -114.11529 836.01265
2195.0000 -120.42999 -114.85166 5.57833 2.42784 -114.54908 834.87115
2200.0000 -119.41023 -113.40349 6.00674 2.50970 -113.43818 900.42062
2205.0000 -117.52213 -112.43466 5.08746 2.56694 -112.66130 913.76568
2210.0000 -119.32062 -113.20597 6.11465 2.54575 -112.94880 913.33676
2215.0000 -118.94215 -114.00012 4.94203 2.42704 -114.55996 808.81758
2220.0000 -119.70502 -113.36560 6.33941 2.50236 -113.53768 883.48551
2225.0000 -119.93246 -112.89933 7.03313 2.51990 -113.29968 913.28345
2230.0000 -118.94123 -114.00900 4.93223 2.43537 -114.44689 851.32172
2235.0000 -118.77349 -112.83295 5.94054 2.48920 -113.71631 855.89492
2240.0000 -117.68885 -110.95612 6.73273 2.63418 -111.74864 980.17756
2245.0000 -117.38216 -112.25750 5.12466 2.65563 -111.45751 949.66824
2250.0000 -118.97989 -112.70113 6.27876 2.54970 -112.89525 878.65825
FREEZING PROCESS: loop number 10 T-loop= 872.00000000000000
main_MD> interactions number 10 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14427 1.18814 -2.13038
force_rgl> df(natom) 1.21787 -3.39877 4.62297
2255.0000 -118.93051 -112.77484 6.15567 2.54436 -112.96777 916.74745
2260.0000 -118.29543 -112.20520 6.09023 2.54166 -113.00441 928.41515
2265.0000 -119.46206 -113.79954 5.66253 2.51187 -113.40866 904.39592
2270.0000 -118.23120 -111.91489 6.31632 2.55946 -112.76284 924.68779
2275.0000 -117.71140 -111.85470 5.85670 2.60920 -112.08765 959.36862
2280.0000 -118.73416 -113.08421 5.64995 2.60564 -112.13606 972.33932
2285.0000 -119.69337 -113.96438 5.72899 2.52095 -113.28548 880.28519
2290.0000 -120.01871 -113.69133 6.32737 2.50078 -113.55924 887.48681
2295.0000 -119.05046 -113.80325 5.24721 2.47330 -113.93219 856.58823
2300.0000 -120.40369 -114.69174 5.71196 2.46983 -113.97931 874.20026
2305.0000 -118.68941 -112.98352 5.70589 2.50467 -113.50644 858.77852
2310.0000 -118.86476 -113.55912 5.30564 2.51905 -113.31124 900.31771
2315.0000 -119.12439 -113.79088 5.33351 2.51262 -113.39856 884.50809
2320.0000 -119.20367 -111.89569 7.30798 2.57967 -112.48855 961.67332
2325.0000 -118.03127 -112.02959 6.00168 2.71398 -110.66556 1067.22027
2330.0000 -119.61442 -113.14029 6.47413 2.58425 -112.42629 977.51352
2335.0000 -119.01100 -113.02373 5.98727 2.57896 -112.49814 988.53358
2340.0000 -119.75278 -113.56189 6.19089 2.52618 -113.21449 928.76117
2345.0000 -118.09442 -111.81263 6.28179 2.58270 -112.44736 926.57426
2350.0000 -120.17380 -113.98974 6.18406 2.55118 -112.87509 918.14940
2355.0000 -118.88057 -112.79954 6.08102 2.43213 -114.49091 825.81794
2360.0000 -119.47515 -114.31978 5.15537 2.46838 -113.99887 854.58574
2365.0000 -120.04447 -114.70664 5.33783 2.45004 -114.24787 835.32939
2370.0000 -119.21996 -113.06856 6.15140 2.47346 -113.93001 848.45909
2375.0000 -119.32590 -112.64315 6.68275 2.55863 -112.77404 910.78883
2380.0000 -118.65774 -114.71824 3.93949 2.51081 -113.42302 848.89274
2385.0000 -118.95548 -113.99230 4.96318 2.49398 -113.65142 893.27037
2390.0000 -118.85238 -113.08397 5.76841 2.55700 -112.79618 912.40739
2395.0000 -119.10572 -113.57046 5.53527 2.46640 -114.02574 837.59135
2400.0000 -118.21913 -112.87772 5.34141 2.47511 -113.90759 838.36166
2405.0000 -119.00569 -113.11970 5.88599 2.49224 -113.67512 846.87799
2410.0000 -119.30639 -114.48125 4.82514 2.54226 -112.99617 894.00123
2415.0000 -119.85368 -115.01312 4.84056 2.44045 -114.37795 805.54500
2420.0000 -118.27012 -111.75004 6.52008 2.47246 -113.94349 848.54642
2425.0000 -117.54528 -110.74018 6.80510 2.68564 -111.05026 998.68860
2430.0000 -115.36849 -109.97659 5.39190 2.71511 -110.65030 1035.29827
2435.0000 -117.54169 -110.66265 6.87904 2.75738 -110.07657 1073.12417
2440.0000 -119.26700 -112.38023 6.88678 2.61995 -111.94183 953.16429
2445.0000 -118.45809 -111.57156 6.88652 2.56939 -112.62801 958.43323
2450.0000 -119.12137 -113.69584 5.42552 2.61628 -111.99157 967.09789
2455.0000 -119.66488 -114.25603 5.40884 2.53156 -113.14141 914.42941
2460.0000 -118.99600 -113.30749 5.68851 2.47932 -113.85041 845.92126
2465.0000 -120.95270 -115.38869 5.56401 2.42003 -114.65509 833.25758
2470.0000 -119.48642 -112.93651 6.54991 2.43039 -114.51450 812.20819
2475.0000 -120.85698 -115.74112 5.11585 2.46280 -114.07466 859.99174
2480.0000 -119.25798 -114.94141 4.31657 2.34575 -115.66325 761.40343
2485.0000 -118.99932 -113.25666 5.74266 2.41914 -114.66721 796.10114
2490.0000 -117.19332 -111.08760 6.10572 2.61259 -112.04167 976.33195
2495.0000 -117.59956 -111.41421 6.18535 2.64153 -111.64888 989.06980
2500.0000 -118.88263 -113.05648 5.82616 2.61777 -111.97143 931.90283
FREEZING PROCESS: loop number 11 T-loop= 847.00000000000000
main_MD> interactions number 11 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61229 1.84686 1.76657
force_rgl> df(natom) -5.39501 4.19004 4.29115
2505.0000 -120.31298 -114.96350 5.34948 2.48607 -113.75885 906.64114
2510.0000 -120.85155 -114.33675 6.51481 2.39684 -114.96983 828.73101
2515.0000 -120.64525 -114.57814 6.06711 2.41447 -114.73060 835.20402
2520.0000 -120.88668 -115.71231 5.17437 2.38942 -115.07056 826.47030
2525.0000 -120.17616 -113.94990 6.22626 2.44701 -114.28900 882.03991
2530.0000 -118.62677 -113.57105 5.05572 2.45594 -114.16781 871.96991
2535.0000 -119.17083 -113.24027 5.93055 2.55267 -112.85498 920.26671
2540.0000 -118.96029 -113.73920 5.22108 2.49298 -113.66505 889.78013
2545.0000 -119.73279 -113.61383 6.11896 2.46811 -114.00257 872.42864
2550.0000 -119.36558 -113.66202 5.70355 2.46078 -114.10210 880.67941
2555.0000 -120.58172 -114.75051 5.83121 2.44744 -114.28312 849.82368
2560.0000 -120.47202 -114.91609 5.55593 2.44309 -114.34213 836.73832
2565.0000 -120.36158 -114.96608 5.39550 2.40188 -114.90146 807.59326
2570.0000 -118.80468 -113.71468 5.09000 2.41725 -114.69290 813.33769
2575.0000 -119.05310 -113.12507 5.92803 2.55486 -112.82521 934.67829
2580.0000 -119.19465 -113.91201 5.28264 2.51869 -113.31609 873.56204
2585.0000 -119.27245 -113.10717 6.16529 2.50160 -113.54804 872.14542
2590.0000 -118.59995 -113.07858 5.52136 2.51134 -113.41580 867.91641
2595.0000 -120.50939 -115.53661 4.97278 2.41125 -114.77432 776.18136
2600.0000 -119.37193 -113.58181 5.79012 2.43489 -114.45348 824.71128
2605.0000 -119.49593 -113.33598 6.15995 2.50871 -113.45152 921.88388
2610.0000 -119.47559 -114.30029 5.17530 2.48159 -113.81960 896.06822
2615.0000 -120.22746 -115.46370 4.76376 2.40454 -114.86538 785.71649
2620.0000 -119.78794 -113.58310 6.20484 2.48794 -113.73349 863.57735
2625.0000 -120.12800 -114.69294 5.43506 2.43751 -114.41789 848.96917
2630.0000 -120.45648 -114.44516 6.01132 2.42152 -114.63488 801.28421
2635.0000 -120.08750 -114.76683 5.32067 2.49846 -113.59066 894.96983
2640.0000 -118.86329 -113.08373 5.77956 2.43411 -114.46405 851.18650
2645.0000 -119.51638 -115.16223 4.35415 2.47922 -113.85175 850.47604
2650.0000 -119.24644 -114.17524 5.07120 2.41247 -114.75771 801.64684
2655.0000 -119.80971 -115.02849 4.78122 2.40431 -114.86854 827.17835
2660.0000 -118.81883 -112.74333 6.07549 2.44795 -114.27627 844.72567
2665.0000 -118.86499 -113.48850 5.37649 2.58913 -112.36016 966.15225
2670.0000 -116.80091 -110.19648 6.60443 2.60054 -112.20527 941.18511
2675.0000 -119.54140 -114.23567 5.30572 2.64996 -111.53451 1007.89128
2680.0000 -120.09213 -113.45116 6.64097 2.45359 -114.19970 844.91117
2685.0000 -119.12344 -114.57009 4.55334 2.40890 -114.80615 862.85071
2690.0000 -120.31284 -115.36686 4.94597 2.41308 -114.74942 827.91871
2695.0000 -120.92695 -115.73464 5.19232 2.38097 -115.18533 761.98202
2700.0000 -119.19752 -113.55018 5.64733 2.47586 -113.89747 857.76665
2705.0000 -120.11970 -114.60152 5.51817 2.44174 -114.36048 856.55862
2710.0000 -119.33208 -114.44487 4.88721 2.47052 -113.96989 857.59863
2715.0000 -119.26153 -114.02262 5.23891 2.42857 -114.53929 813.93691
2720.0000 -119.31345 -112.85325 6.46019 2.54022 -113.02392 891.33934
2725.0000 -120.12101 -114.25718 5.86384 2.52939 -113.17095 855.85157
2730.0000 -119.95654 -114.84752 5.10903 2.43034 -114.51521 851.96411
2735.0000 -119.43724 -114.25811 5.17912 2.40024 -114.92377 784.25400
2740.0000 -120.65669 -115.44408 5.21262 2.39695 -114.96835 808.65097
2745.0000 -120.27980 -114.90154 5.37825 2.37728 -115.23535 782.03862
2750.0000 -118.81137 -113.31618 5.49520 2.48323 -113.79738 841.28511
FREEZING PROCESS: loop number 12 T-loop= 822.00000000000000
main_MD> interactions number 12 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41176 -4.93834 -0.92750
force_rgl> df(natom) -1.10668 -5.48767 -1.56079
2755.0000 -120.70996 -115.33310 5.37686 2.45793 -114.14071 825.17458
2760.0000 -119.78436 -115.21270 4.57165 2.37669 -115.24335 785.10472
2765.0000 -120.75610 -116.10382 4.65228 2.39199 -115.03571 793.07094
2770.0000 -119.41023 -114.12174 5.28849 2.40378 -114.87570 833.00079
2775.0000 -119.49686 -114.23505 5.26182 2.43802 -114.41096 806.46876
2780.0000 -120.39693 -115.97505 4.42188 2.38588 -115.11866 741.74045
2785.0000 -118.49749 -113.16681 5.33068 2.44555 -114.30874 803.86828
2790.0000 -119.88698 -114.07458 5.81240 2.48263 -113.80549 850.54737
2795.0000 -119.38437 -114.30093 5.08344 2.42774 -114.55049 841.68122
2800.0000 -118.78410 -112.56189 6.22222 2.48779 -113.73545 871.35807
2805.0000 -119.04124 -113.67142 5.36982 2.48365 -113.79167 878.54245
2810.0000 -119.67187 -114.12119 5.55068 2.44592 -114.30381 866.27791
2815.0000 -120.11842 -115.16326 4.95516 2.41329 -114.74666 804.53483
2820.0000 -119.63408 -113.53639 6.09769 2.44720 -114.28637 840.15912
2825.0000 -120.39145 -113.76266 6.62879 2.46632 -114.02689 837.38464
2830.0000 -119.80205 -114.03774 5.76431 2.47099 -113.96353 871.55070
2835.0000 -119.04755 -113.94947 5.09808 2.46898 -113.99082 866.68610
2840.0000 -119.28106 -113.96172 5.31934 2.52368 -113.24841 877.22661
2845.0000 -120.05715 -116.03932 4.01782 2.43793 -114.41224 816.84422
2850.0000 -121.30492 -116.25130 5.05362 2.33587 -115.79740 759.66376
2855.0000 -121.17105 -115.77235 5.39870 2.33839 -115.76320 795.40968
2860.0000 -120.39574 -115.02055 5.37520 2.33364 -115.82767 785.99909
2865.0000 -120.53579 -115.02476 5.51103 2.35740 -115.50513 784.45804
2870.0000 -119.81308 -114.49990 5.31318 2.44995 -114.24905 844.83305
2875.0000 -120.03625 -114.72579 5.31046 2.43863 -114.40267 838.94854
2880.0000 -119.82936 -113.90896 5.92040 2.41830 -114.67863 848.52885
2885.0000 -118.76176 -114.03652 4.72524 2.47144 -113.95733 860.01505
2890.0000 -120.10438 -113.88647 6.21791 2.49908 -113.58228 882.77887
2895.0000 -119.16016 -112.80540 6.35476 2.60883 -112.09272 984.60619
2900.0000 -120.04053 -115.13010 4.91044 2.48478 -113.77635 873.44959
2905.0000 -120.67136 -114.53375 6.13761 2.39259 -115.02758 818.84079
2910.0000 -121.04863 -115.58833 5.46030 2.40821 -114.81560 818.55420
2915.0000 -120.41637 -115.08861 5.32776 2.42482 -114.59019 808.83289
2920.0000 -119.83836 -115.27791 4.56045 2.41016 -114.78905 809.66576
2925.0000 -118.63559 -113.77607 4.85952 2.40998 -114.79156 829.75458
2930.0000 -120.12049 -114.38555 5.73495 2.46804 -114.00355 890.15245
2935.0000 -120.10374 -114.37237 5.73137 2.38740 -115.09799 831.64519
2940.0000 -118.76383 -114.27713 4.48670 2.45313 -114.20594 814.37672
2945.0000 -119.07815 -113.55712 5.52103 2.52105 -113.28415 894.09667
2950.0000 -118.91398 -113.59398 5.32000 2.54079 -113.01619 931.79355
2955.0000 -118.41532 -112.92324 5.49208 2.48566 -113.76441 886.25517
2960.0000 -119.32512 -112.83303 6.49209 2.55154 -112.87023 903.05040
2965.0000 -120.59111 -114.66920 5.92190 2.50529 -113.49803 896.87207
2970.0000 -120.02288 -114.93756 5.08532 2.41849 -114.67602 837.87344
2975.0000 -119.92164 -114.59213 5.32951 2.38833 -115.08543 797.50934
2980.0000 -120.24703 -114.29347 5.95356 2.43309 -114.47794 830.61878
2985.0000 -120.82317 -114.86167 5.96150 2.42319 -114.61223 867.94442
2990.0000 -120.09465 -114.59948 5.49517 2.37385 -115.28196 797.44098
2995.0000 -118.68312 -112.50925 6.17386 2.44735 -114.28438 859.03994
3000.0000 -118.33053 -112.46077 5.86976 2.58961 -112.35362 943.87028
FREEZING PROCESS: loop number 13 T-loop= 797.00000000000000
main_MD> interactions number 13 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82781 -4.79805 -5.16012
force_rgl> df(natom) -0.17179 1.61297 3.01933
3005.0000 -119.65700 -112.42091 7.23609 2.56865 -112.63810 976.86481
3010.0000 -120.32874 -115.03027 5.29847 2.49100 -113.69187 896.83453
3015.0000 -119.76428 -115.28253 4.48175 2.36307 -115.42820 804.03501
3020.0000 -121.64012 -116.01808 5.62204 2.35791 -115.49830 779.67993
3025.0000 -120.91788 -116.73129 4.18659 2.30682 -116.19170 740.88350
3030.0000 -120.49068 -115.42075 5.06994 2.33773 -115.77213 762.08330
3035.0000 -119.95769 -114.55262 5.40507 2.42796 -114.54756 805.09632
3040.0000 -120.73717 -115.73631 5.00086 2.38867 -115.08078 789.59909
3045.0000 -120.87646 -115.02637 5.85009 2.37312 -115.29185 832.27012
3050.0000 -120.09721 -114.09165 6.00556 2.39267 -115.02649 781.43294
3055.0000 -121.05071 -116.17517 4.87554 2.35851 -115.49005 782.40047
3060.0000 -121.67119 -116.36123 5.30996 2.31669 -116.05765 745.21763
3065.0000 -120.81256 -115.54542 5.26714 2.27458 -116.62923 694.59587
3070.0000 -121.92659 -116.69876 5.22783 2.34287 -115.70241 783.30275
3075.0000 -121.18143 -115.98064 5.20078 2.32913 -115.88885 765.41733
3080.0000 -120.80301 -116.18072 4.62229 2.35200 -115.57847 784.14265
3085.0000 -120.23946 -115.34076 4.89870 2.36385 -115.41767 791.17017
3090.0000 -120.23683 -115.38367 4.85316 2.30447 -116.22356 728.47984
3095.0000 -121.72675 -116.84244 4.88431 2.34078 -115.73076 802.27755
3100.0000 -121.10709 -116.08965 5.01743 2.31113 -116.13312 754.50481
3105.0000 -120.15085 -115.95865 4.19220 2.34670 -115.65040 794.57909
3110.0000 -121.55125 -116.36690 5.18435 2.29599 -116.33866 722.45994
3115.0000 -120.39948 -116.60710 3.79238 2.31133 -116.13040 736.57094
3120.0000 -121.15588 -115.82721 5.32867 2.29735 -116.32013 706.40728
3125.0000 -120.73281 -115.90275 4.83006 2.40033 -114.92255 800.09845
3130.0000 -121.11543 -117.17216 3.94327 2.31950 -116.01959 733.39652
3135.0000 -121.68584 -116.77432 4.91152 2.27574 -116.61342 771.55318
3140.0000 -121.10960 -114.95447 6.15513 2.30140 -116.26515 760.90973
3145.0000 -119.70628 -114.98374 4.72254 2.35914 -115.48156 782.52764
3150.0000 -120.90016 -114.81456 6.08560 2.38776 -115.09307 804.62561
3155.0000 -119.34652 -113.87350 5.47302 2.43177 -114.49581 794.47288
3160.0000 -120.46508 -114.94968 5.51540 2.44218 -114.35454 801.79277
3165.0000 -119.68340 -114.51473 5.16867 2.42653 -114.56698 817.17389
3170.0000 -121.26878 -116.25201 5.01677 2.36930 -115.34365 754.90688
3175.0000 -120.66795 -115.39417 5.27378 2.33601 -115.79546 756.51557
3180.0000 -120.04631 -113.67510 6.37121 2.39562 -114.98646 800.31749
3185.0000 -120.11497 -114.96786 5.14711 2.42893 -114.53434 834.79692
3190.0000 -120.39564 -116.34595 4.04970 2.35123 -115.58896 777.53290
3195.0000 -119.35082 -114.67846 4.67236 2.35700 -115.51062 750.69572
3200.0000 -119.64382 -114.35590 5.28792 2.41861 -114.67435 812.73810
3205.0000 -121.49862 -116.68811 4.81052 2.38867 -115.08073 804.93286
3210.0000 -121.06937 -116.12355 4.94582 2.29356 -116.37154 740.48707
3215.0000 -120.62531 -115.91094 4.71437 2.31603 -116.06670 747.72793
3220.0000 -120.38108 -115.30067 5.08041 2.29736 -116.32006 709.28579
3225.0000 -121.17199 -115.47268 5.69932 2.33820 -115.76570 763.72210
3230.0000 -121.29253 -116.28464 5.00789 2.32981 -115.87965 763.81507
3235.0000 -120.03512 -114.88746 5.14767 2.29450 -116.35878 722.60921
3240.0000 -119.97813 -113.86759 6.11054 2.45413 -114.19233 841.93742
3245.0000 -119.99050 -113.95336 6.03713 2.46416 -114.05621 873.12888
3250.0000 -120.43405 -115.32705 5.10700 2.42439 -114.59591 851.82971
FREEZING PROCESS: loop number 14 T-loop= 772.00000000000000
main_MD> interactions number 14 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16521 0.62666 -3.44653
force_rgl> df(natom) 2.42535 -0.03043 3.24515
3255.0000 -121.16377 -115.37522 5.78855 2.40341 -114.88067 840.02466
3260.0000 -120.28198 -114.91408 5.36790 2.41156 -114.77003 831.32137
3265.0000 -120.45449 -115.67302 4.78146 2.39111 -115.04767 817.17075
3270.0000 -121.25058 -116.61053 4.64005 2.33491 -115.81034 771.01342
3275.0000 -120.93990 -116.05818 4.88172 2.28487 -116.48953 734.45808
3280.0000 -120.94128 -115.70727 5.23401 2.29009 -116.41875 757.43888
3285.0000 -120.93451 -116.07610 4.85841 2.32264 -115.97691 756.38569
3290.0000 -120.07183 -115.93313 4.13871 2.32946 -115.88435 756.15960
3295.0000 -121.50813 -116.55219 4.95594 2.28927 -116.42977 719.95851
3300.0000 -121.55531 -116.91870 4.63661 2.29147 -116.39995 746.22996
3305.0000 -121.51086 -116.95243 4.55843 2.25391 -116.90969 701.69483
3310.0000 -121.50903 -116.61429 4.89475 2.28194 -116.52937 712.50710
3315.0000 -120.08221 -115.50601 4.57620 2.36431 -115.41143 796.38482
3320.0000 -120.57380 -115.30902 5.26478 2.37823 -115.22252 786.85991
3325.0000 -120.48429 -115.14804 5.33625 2.39549 -114.98827 792.94517
3330.0000 -120.42193 -115.11981 5.30212 2.38409 -115.14296 806.32352
3335.0000 -121.10260 -116.81462 4.28798 2.35902 -115.48322 776.53995
3340.0000 -121.17948 -116.04787 5.13161 2.30296 -116.24396 753.71102
3345.0000 -120.95818 -116.21154 4.74665 2.29922 -116.29483 744.94222
3350.0000 -120.81312 -115.35463 5.45850 2.31787 -116.04170 742.70229
3355.0000 -120.95282 -115.65482 5.29800 2.37118 -115.31816 802.64601
3360.0000 -120.36445 -115.39247 4.97197 2.36460 -115.40748 809.06324
3365.0000 -119.98069 -116.01489 3.96580 2.32429 -115.95447 772.70585
3370.0000 -119.29469 -114.73130 4.56339 2.36463 -115.40700 800.69779
3375.0000 -121.24674 -116.29396 4.95277 2.34972 -115.60934 763.86330
3380.0000 -120.90123 -115.73739 5.16384 2.33327 -115.83269 771.51027
3385.0000 -121.58946 -117.20403 4.38543 2.25912 -116.83907 708.54633
3390.0000 -121.98130 -117.85510 4.12620 2.25650 -116.87452 663.24608
3395.0000 -121.10986 -116.31205 4.79781 2.27300 -116.65070 714.59323
3400.0000 -120.65356 -115.78371 4.86985 2.31940 -116.02091 739.73484
3405.0000 -120.94346 -115.33268 5.61078 2.39376 -115.01163 807.71512
3410.0000 -120.07630 -114.85660 5.21969 2.34720 -115.64360 769.78000
3415.0000 -119.70467 -114.41319 5.29149 2.38617 -115.11466 807.81858
3420.0000 -119.77277 -115.03900 4.73377 2.40331 -114.88210 817.82741
3425.0000 -120.22518 -114.56341 5.66177 2.36091 -115.45752 765.86698
3430.0000 -119.93178 -114.92748 5.00431 2.40570 -114.84958 809.76358
3435.0000 -120.99136 -115.28721 5.70415 2.36584 -115.39067 791.23478
3440.0000 -120.45356 -115.46928 4.98428 2.35319 -115.56224 796.88331
3445.0000 -120.28685 -115.47936 4.80749 2.31557 -116.07289 745.87026
3450.0000 -120.97372 -115.53025 5.44347 2.33473 -115.81284 757.39811
3455.0000 -119.33575 -114.20039 5.13535 2.39312 -115.02042 808.47576
3460.0000 -121.41932 -115.15573 6.26359 2.41081 -114.78033 807.18252
3465.0000 -122.03988 -116.86288 5.17700 2.32909 -115.88934 764.30221
3470.0000 -120.91295 -115.70493 5.20802 2.26841 -116.71297 727.50755
3475.0000 -120.80375 -114.89964 5.90411 2.36515 -115.40002 809.38496
3480.0000 -121.09610 -116.07480 5.02130 2.33284 -115.83842 776.22854
3485.0000 -119.81411 -115.39242 4.42169 2.32904 -115.89013 767.35438
3490.0000 -121.00486 -115.28374 5.72113 2.35600 -115.52420 797.30301
3495.0000 -121.41801 -115.79521 5.62281 2.28130 -116.53799 731.53240
3500.0000 -120.35126 -115.09564 5.25563 2.33326 -115.83284 758.56508
FREEZING PROCESS: loop number 15 T-loop= 747.00000000000000
main_MD> interactions number 15 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26587 0.29276 1.65603
force_rgl> df(natom) 0.85799 -0.59332 -0.57752
3505.0000 -120.07491 -115.13707 4.93784 2.39450 -115.00166 800.02828
3510.0000 -120.31724 -115.26924 5.04800 2.35918 -115.48106 754.88807
3515.0000 -119.61445 -114.68015 4.93430 2.41419 -114.73440 824.06715
3520.0000 -120.57264 -116.03809 4.53454 2.40059 -114.91894 782.24200
3525.0000 -120.45240 -114.85486 5.59754 2.41307 -114.74966 830.12793
3530.0000 -121.87833 -116.28039 5.59793 2.33292 -115.83738 774.49815
3535.0000 -121.79400 -117.58265 4.21135 2.28597 -116.47467 720.01772
3540.0000 -120.56420 -115.77749 4.78671 2.25253 -116.92852 691.45537
3545.0000 -121.43092 -117.15783 4.27309 2.31037 -116.14341 752.38065
3550.0000 -121.50589 -116.46025 5.04564 2.27956 -116.56166 744.49778
3555.0000 -119.50016 -114.90051 4.59966 2.29166 -116.39736 740.51858
3560.0000 -120.83084 -116.60595 4.22489 2.32347 -115.96573 727.69760
3565.0000 -119.66903 -115.85510 3.81393 2.29662 -116.33003 729.55712
3570.0000 -120.87685 -116.13714 4.73970 2.31940 -116.02087 745.13413
3575.0000 -120.32359 -116.49075 3.83285 2.35866 -115.48810 740.52656
3580.0000 -121.56010 -116.65995 4.90015 2.28267 -116.51936 705.04405
3585.0000 -121.60478 -116.98020 4.62458 2.29339 -116.37392 725.36491
3590.0000 -121.72701 -116.32900 5.39801 2.27091 -116.67901 732.19145
3595.0000 -121.90109 -117.13531 4.76578 2.29609 -116.33728 726.53307
3600.0000 -121.74525 -116.68970 5.05555 2.24824 -116.98668 711.16838
3605.0000 -120.43321 -115.59297 4.84024 2.33091 -115.86463 757.40378
3610.0000 -121.51145 -115.25352 6.25792 2.35985 -115.47196 772.88699
3615.0000 -120.02213 -115.65449 4.36764 2.31627 -116.06333 729.59400
3620.0000 -118.88011 -114.10066 4.77945 2.42063 -114.64696 820.21405
3625.0000 -119.64958 -113.98291 5.66666 2.42045 -114.64939 847.11849
3630.0000 -120.86080 -115.93926 4.92154 2.42809 -114.54577 825.79558
3635.0000 -120.75864 -115.67949 5.07914 2.29197 -116.39313 716.78984
3640.0000 -120.28991 -115.43853 4.85138 2.37677 -115.24223 801.18676
3645.0000 -119.82815 -113.92832 5.89982 2.39610 -114.97989 791.08495
3650.0000 -120.37860 -115.17448 5.20412 2.43573 -114.44210 853.98993
3655.0000 -121.07346 -116.76659 4.30687 2.31273 -116.11144 757.37256
3660.0000 -121.04288 -116.87612 4.16676 2.28560 -116.47961 708.21161
3665.0000 -121.61440 -116.50343 5.11097 2.26895 -116.70557 700.18906
3670.0000 -121.60101 -117.05109 4.54991 2.22110 -117.35506 673.71811
3675.0000 -120.81646 -116.57029 4.24617 2.26972 -116.69521 702.45379
3680.0000 -120.84879 -114.97877 5.87001 2.38381 -115.14671 817.42392
3685.0000 -120.60158 -115.78657 4.81501 2.33011 -115.87552 772.95727
3690.0000 -121.95981 -116.39634 5.56347 2.33163 -115.85486 779.55644
3695.0000 -121.35489 -117.36181 3.99308 2.21791 -117.39832 658.15096
3700.0000 -121.11054 -117.16683 3.94371 2.21138 -117.48689 680.59653
3705.0000 -121.41675 -116.92959 4.48716 2.24764 -116.99480 690.94049
3710.0000 -120.07993 -114.89749 5.18244 2.32009 -116.01153 707.93817
3715.0000 -120.68473 -116.34974 4.33499 2.31277 -116.11094 730.84156
3720.0000 -120.92518 -116.31170 4.61348 2.31962 -116.01793 753.26337
3725.0000 -120.34974 -115.84172 4.50802 2.35501 -115.53755 795.09108
3730.0000 -119.80192 -115.28089 4.52103 2.34525 -115.67006 760.32100
3735.0000 -119.40680 -113.78651 5.62029 2.40449 -114.86600 779.18548
3740.0000 -119.71952 -114.64176 5.07776 2.43380 -114.46827 803.58065
3745.0000 -120.23706 -116.21487 4.02219 2.34244 -115.70816 742.47937
3750.0000 -121.19411 -117.15781 4.03630 2.23649 -117.14620 678.52268
FREEZING PROCESS: loop number 16 T-loop= 722.00000000000000
main_MD> interactions number 16 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84730 -0.24052 -3.22715
force_rgl> df(natom) -1.22787 -1.46785 -0.45545
3755.0000 -122.63346 -117.65675 4.97671 2.22368 -117.31995 692.62190
3760.0000 -122.47482 -117.30765 5.16717 2.23182 -117.20958 699.25074
3765.0000 -121.83677 -117.23308 4.60369 2.21596 -117.42482 704.32060
3770.0000 -121.59400 -117.48914 4.10486 2.27315 -116.64862 714.18689
3775.0000 -121.48342 -117.02047 4.46296 2.21536 -117.43289 675.77236
3780.0000 -121.60739 -117.15640 4.45099 2.20692 -117.54752 634.92574
3785.0000 -121.03935 -116.57781 4.46154 2.27406 -116.63619 711.02514
3790.0000 -121.94324 -116.66278 5.28046 2.25891 -116.84187 700.78747
3795.0000 -121.11951 -117.29327 3.82624 2.21621 -117.42137 699.20766
3800.0000 -121.43712 -116.49197 4.94514 2.26750 -116.72525 695.93454
3805.0000 -121.09324 -116.65517 4.43807 2.27958 -116.56139 713.37690
3810.0000 -120.50607 -116.45188 4.05419 2.28980 -116.42267 712.86877
3815.0000 -120.29430 -116.24021 4.05409 2.30214 -116.25517 722.11824
3820.0000 -121.08863 -116.70397 4.38466 2.21332 -117.46060 674.76458
3825.0000 -121.43508 -116.83316 4.60192 2.29105 -116.40572 723.10100
3830.0000 -121.78765 -117.42821 4.35944 2.27006 -116.69052 701.00439
3835.0000 -121.39123 -117.17277 4.21846 2.22369 -117.31988 690.38450
3840.0000 -121.83628 -117.15567 4.68061 2.25749 -116.86117 715.06468
3845.0000 -121.99602 -116.93594 5.06008 2.22143 -117.35052 673.06446
3850.0000 -121.91642 -117.32008 4.59635 2.23830 -117.12160 704.98118
3855.0000 -121.88626 -118.16658 3.71968 2.20365 -117.59190 661.66626
3860.0000 -122.74157 -118.55587 4.18570 2.15928 -118.19400 627.98659
3865.0000 -121.47148 -116.06206 5.40942 2.25652 -116.87425 678.23734
3870.0000 -120.73405 -114.37551 6.35854 2.36859 -115.35330 767.17896
3875.0000 -120.33915 -115.11270 5.22645 2.38835 -115.08511 805.54121
3880.0000 -119.57244 -114.37684 5.19561 2.45621 -114.16407 843.36662
3885.0000 -120.84251 -116.07860 4.76391 2.42281 -114.61739 821.20105
3890.0000 -121.94998 -116.98060 4.96938 2.21403 -117.45097 661.44818
3895.0000 -121.36021 -115.74109 5.61911 2.27792 -116.58391 692.72148
3900.0000 -120.23596 -116.14282 4.09313 2.28194 -116.52931 715.86414
3905.0000 -121.25702 -117.09773 4.15929 2.27661 -116.60163 729.38481
3910.0000 -119.89731 -115.28779 4.60952 2.28513 -116.48597 730.34431
3915.0000 -120.81059 -116.26396 4.54663 2.35533 -115.53331 734.68444
3920.0000 -120.36085 -116.03981 4.32104 2.31137 -116.12991 766.84491
3925.0000 -120.82311 -117.23357 3.58954 2.32305 -115.97141 709.92636
3930.0000 -120.94247 -116.42776 4.51471 2.22148 -117.34990 679.21566
3935.0000 -120.72873 -115.00737 5.72136 2.29556 -116.34445 740.22919
3940.0000 -120.53126 -115.76265 4.76861 2.35151 -115.58505 793.61236
3945.0000 -121.15805 -116.65292 4.50513 2.31598 -116.06725 755.26694
3950.0000 -120.39780 -116.05440 4.34341 2.31515 -116.07851 740.80127
3955.0000 -121.34044 -116.71944 4.62100 2.30797 -116.17603 722.65347
3960.0000 -121.98043 -117.65859 4.32184 2.25265 -116.92689 665.04297
3965.0000 -120.54662 -116.81891 3.72771 2.23634 -117.14817 670.98170
3970.0000 -120.79769 -115.55578 5.24191 2.31175 -116.12477 744.56094
3975.0000 -120.94903 -115.94423 5.00480 2.28994 -116.42074 724.93085
3980.0000 -121.31783 -116.22936 5.08847 2.30259 -116.24900 755.55005
3985.0000 -121.51809 -115.19052 6.32757 2.36277 -115.43226 771.60633
3990.0000 -120.36794 -115.86554 4.50240 2.37212 -115.30535 794.86417
3995.0000 -120.54637 -116.87920 3.66717 2.28488 -116.48947 704.45092
4000.0000 -120.88313 -116.82160 4.06153 2.23879 -117.11493 672.35908
FREEZING PROCESS: loop number 17 T-loop= 697.00000000000000
main_MD> interactions number 17 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45184 -0.49491 -0.54481
force_rgl> df(natom) -1.89237 0.82559 -2.54893
4005.0000 -120.94179 -116.42417 4.51762 2.28293 -116.51586 741.06975
4010.0000 -121.77546 -117.31359 4.46188 2.29602 -116.33822 745.38988
4015.0000 -121.60455 -117.27989 4.32466 2.22854 -117.25406 680.18004
4020.0000 -121.73268 -116.76476 4.96792 2.27570 -116.61397 690.95769
4025.0000 -121.22549 -116.58610 4.63939 2.24049 -117.09192 689.15133
4030.0000 -122.27475 -118.15619 4.11856 2.20035 -117.63670 650.37545
4035.0000 -122.58138 -117.68362 4.89776 2.17726 -117.94997 656.98886
4040.0000 -121.77739 -117.97285 3.80454 2.17751 -117.94668 647.76683
4045.0000 -122.38747 -116.80840 5.57907 2.15573 -118.24231 600.92685
4050.0000 -120.94617 -116.01317 4.93301 2.28137 -116.53706 703.35145
4055.0000 -120.86033 -115.95632 4.90401 2.29570 -116.34258 716.34340
4060.0000 -121.00758 -115.14448 5.86310 2.32107 -115.99820 768.26947
4065.0000 -120.14772 -115.81831 4.32941 2.36095 -115.45696 801.13792
4070.0000 -120.88056 -115.06149 5.81907 2.38780 -115.09263 808.19656
4075.0000 -121.62540 -117.45016 4.17524 2.26917 -116.70260 718.10787
4080.0000 -121.14378 -117.44563 3.69815 2.20175 -117.61767 665.58601
4085.0000 -121.93639 -117.34117 4.59522 2.20106 -117.62698 659.14331
4090.0000 -123.26933 -119.45493 3.81440 2.18792 -117.80542 650.57732
4095.0000 -123.15330 -119.20018 3.95312 2.10166 -118.97613 589.99820
4100.0000 -121.81638 -116.66209 5.15429 2.16805 -118.07506 640.30262
4105.0000 -122.41147 -117.00554 5.40593 2.22348 -117.32273 685.88858
4110.0000 -120.62486 -115.98109 4.64377 2.27025 -116.68797 730.24144
4115.0000 -121.27637 -117.22451 4.05187 2.29912 -116.29614 698.03367
4120.0000 -121.48674 -117.26394 4.22280 2.22483 -117.30436 646.27760
4125.0000 -121.78503 -117.36030 4.42473 2.25130 -116.94514 678.53981
4130.0000 -121.15173 -117.01828 4.13345 2.27507 -116.62260 708.73438
4135.0000 -121.25364 -117.43207 3.82157 2.24720 -117.00085 695.11010
4140.0000 -120.82095 -116.93694 3.88401 2.27369 -116.64129 703.72212
4145.0000 -121.21848 -116.71382 4.50466 2.24662 -117.00870 701.10719
4150.0000 -122.46743 -118.46238 4.00504 2.21600 -117.42423 666.52669
4155.0000 -122.14009 -117.36141 4.77868 2.19346 -117.73015 658.79600
4160.0000 -120.65054 -115.97436 4.67619 2.26472 -116.76303 705.53018
4165.0000 -120.81595 -116.98466 3.83129 2.29404 -116.36506 717.03200
4170.0000 -121.09789 -116.06503 5.03287 2.25725 -116.86434 699.44080
4175.0000 -121.42935 -116.51018 4.91917 2.31202 -116.12105 737.43945
4180.0000 -121.69006 -117.04554 4.64452 2.25192 -116.93679 707.52279
4185.0000 -122.10402 -116.80872 5.29531 2.22403 -117.31524 673.42622
4190.0000 -121.21517 -116.31254 4.90263 2.30279 -116.24629 734.61486
4195.0000 -120.25395 -115.21355 5.04039 2.31299 -116.10794 713.78943
4200.0000 -122.25172 -118.06530 4.18642 2.26736 -116.72723 740.54532
4205.0000 -123.01291 -119.08329 3.92962 2.16145 -118.16465 636.31739
4210.0000 -122.13034 -118.29166 3.83868 2.13260 -118.55613 621.30551
4215.0000 -121.64117 -116.66343 4.97774 2.19519 -117.70668 670.00429
4220.0000 -121.33924 -117.23603 4.10321 2.22362 -117.32089 708.83843
4225.0000 -121.47230 -117.01986 4.45244 2.20999 -117.50583 668.03650
4230.0000 -121.83822 -117.50094 4.33728 2.22518 -117.29969 668.49655
4235.0000 -121.82254 -117.51017 4.31237 2.21424 -117.44811 685.85236
4240.0000 -120.90490 -116.57058 4.33432 2.20775 -117.53616 662.80585
4245.0000 -120.51200 -115.88100 4.63100 2.29320 -116.37645 727.66934
4250.0000 -121.04319 -115.48546 5.55773 2.28847 -116.44063 723.62679
FREEZING PROCESS: loop number 18 T-loop= 672.00000000000000
main_MD> interactions number 18 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43787 1.91464 -0.68147
force_rgl> df(natom) 1.24617 0.30070 0.45749
4255.0000 -121.20010 -116.02552 5.17458 2.30629 -116.19880 755.63402
4260.0000 -121.73057 -117.21760 4.51297 2.25106 -116.94840 701.75459
4265.0000 -122.33006 -116.98332 5.34675 2.24192 -117.07250 711.75569
4270.0000 -120.97510 -117.17866 3.79644 2.27313 -116.64891 738.75353
4275.0000 -121.45124 -116.62048 4.83076 2.24724 -117.00030 729.19479
4280.0000 -121.96431 -117.76330 4.20101 2.23753 -117.13207 705.66377
4285.0000 -121.43121 -117.01571 4.41550 2.20123 -117.62476 640.47310
4290.0000 -121.90732 -117.25600 4.65132 2.24147 -117.07857 679.00244
4295.0000 -121.31507 -117.44573 3.86934 2.24114 -117.08305 672.57828
4300.0000 -121.81056 -117.63306 4.17750 2.22869 -117.25201 689.70549
4305.0000 -121.53428 -117.73835 3.79593 2.17793 -117.94088 647.54965
4310.0000 -121.32893 -117.42521 3.90371 2.20601 -117.55978 667.70414
4315.0000 -120.75283 -116.23787 4.51496 2.26905 -116.70429 693.44118
4320.0000 -121.22950 -117.19667 4.03283 2.25918 -116.83826 656.97698
4325.0000 -122.16111 -117.41105 4.75006 2.20197 -117.61465 665.78920
4330.0000 -121.49087 -116.76796 4.72292 2.24488 -117.03236 709.09157
4335.0000 -120.64032 -115.40926 5.23105 2.33518 -115.80670 752.84356
4340.0000 -120.38454 -115.16629 5.21825 2.35390 -115.55263 757.95712
4345.0000 -122.12534 -116.75578 5.36956 2.29887 -116.29955 732.47619
4350.0000 -120.89368 -116.98853 3.90515 2.20042 -117.63575 663.23706
4355.0000 -121.93025 -117.10358 4.82667 2.22174 -117.34631 688.57293
4360.0000 -121.18636 -117.37437 3.81199 2.26428 -116.76895 721.07328
4365.0000 -121.05384 -117.21036 3.84348 2.24144 -117.07903 681.37204
4370.0000 -121.75370 -117.29546 4.45824 2.26223 -116.79688 709.00722
4375.0000 -121.57532 -117.48147 4.09385 2.22160 -117.34819 672.82211
4380.0000 -122.19717 -117.27975 4.91742 2.23734 -117.13458 707.89284
4385.0000 -121.31611 -117.18070 4.13541 2.18858 -117.79642 656.91361
4390.0000 -121.42197 -116.93042 4.49155 2.25340 -116.91667 680.92451
4395.0000 -121.90808 -116.98732 4.92076 2.22999 -117.23444 673.18331
4400.0000 -121.80403 -117.54111 4.26292 2.23708 -117.13813 714.93370
4405.0000 -121.02048 -117.22901 3.79147 2.23352 -117.18653 678.81837
4410.0000 -121.64689 -116.99268 4.65421 2.23165 -117.21180 680.87526
4415.0000 -122.44511 -117.64411 4.80100 2.23563 -117.15781 704.00757
4420.0000 -122.16099 -117.80666 4.35433 2.21033 -117.50119 678.77021
4425.0000 -121.57253 -116.02412 5.54841 2.21239 -117.47330 689.23782
4430.0000 -121.94252 -117.55178 4.39074 2.24941 -116.97082 686.86491
4435.0000 -122.07775 -117.58549 4.49226 2.21491 -117.43908 656.88635
4440.0000 -121.90885 -117.68320 4.22565 2.23384 -117.18217 686.23091
4445.0000 -121.48311 -116.63390 4.84921 2.20278 -117.60369 671.87416
4450.0000 -121.59461 -117.72273 3.87188 2.18445 -117.85240 643.16846
4455.0000 -121.42009 -117.13239 4.28771 2.19975 -117.64486 681.76975
4460.0000 -121.51303 -117.61917 3.89386 2.18623 -117.82830 682.97035
4465.0000 -121.84162 -118.62796 3.21366 2.16243 -118.15136 633.66995
4470.0000 -122.03444 -117.52860 4.50584 2.12888 -118.60670 574.83679
4475.0000 -122.05015 -117.65342 4.39672 2.21239 -117.47326 675.92395
4480.0000 -121.87014 -117.80047 4.06967 2.19391 -117.72405 651.25174
4485.0000 -121.94794 -117.81503 4.13291 2.18804 -117.80374 629.73407
4490.0000 -122.27582 -118.85071 3.42511 2.17933 -117.92201 635.77533
4495.0000 -123.86903 -119.27768 4.59135 2.07496 -119.33840 587.28425
4500.0000 -121.57281 -117.19399 4.37882 2.14269 -118.41921 599.02588
FREEZING PROCESS: loop number 19 T-loop= 647.00000000000000
main_MD> interactions number 19 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08704 -0.69015 1.58538
force_rgl> df(natom) -0.44066 0.54669 -0.57078
4505.0000 -121.90263 -117.16223 4.74040 2.25110 -116.94794 706.63055
4510.0000 -121.31534 -117.11678 4.19856 2.23824 -117.12240 687.60618
4515.0000 -122.12635 -117.65516 4.47118 2.22518 -117.29973 654.09387
4520.0000 -121.22820 -117.01147 4.21673 2.22052 -117.36292 667.95923
4525.0000 -122.07314 -117.55433 4.51881 2.22161 -117.34811 666.98023
4530.0000 -121.51546 -116.69155 4.82391 2.22419 -117.31308 691.59352
4535.0000 -123.59816 -119.02213 4.57603 2.18263 -117.87721 655.72422
4540.0000 -122.42183 -118.26445 4.15737 2.14499 -118.38800 655.49513
4545.0000 -122.50746 -118.06481 4.44264 2.18420 -117.85579 652.30954
4550.0000 -123.09598 -118.61721 4.47877 2.17735 -117.94876 643.49508
4555.0000 -120.62474 -117.13295 3.49179 2.26610 -116.74422 687.68610
4560.0000 -121.62020 -116.68549 4.93472 2.24197 -117.07183 682.34310
4565.0000 -123.45454 -118.84288 4.61166 2.23753 -117.13198 718.59365
4570.0000 -122.33087 -118.93746 3.39341 2.07975 -119.27343 565.52762
4575.0000 -122.93778 -118.20085 4.73693 2.16186 -118.15907 625.23408
4580.0000 -122.55419 -118.72480 3.82938 2.16568 -118.10725 625.26129
4585.0000 -121.43393 -117.71672 3.71721 2.18264 -117.87699 639.47431
4590.0000 -122.11625 -118.11238 4.00388 2.16817 -118.07337 604.98765
4595.0000 -122.31662 -117.33927 4.97734 2.21937 -117.37847 646.29690
4600.0000 -121.63555 -117.00401 4.63154 2.16014 -118.18238 631.19341
4605.0000 -121.40231 -115.64343 5.75888 2.27984 -116.55780 729.67635
4610.0000 -120.97589 -116.34634 4.62956 2.29051 -116.41300 738.27089
4615.0000 -121.58839 -117.37968 4.20871 2.27661 -116.60168 692.54564
4620.0000 -121.54642 -116.83571 4.71071 2.23501 -117.16621 690.98347
4625.0000 -121.39502 -117.58103 3.81399 2.24035 -117.09384 677.74672
4630.0000 -121.98714 -117.88161 4.10553 2.22842 -117.25568 683.77548
4635.0000 -122.34791 -117.89084 4.45707 2.18612 -117.82981 658.68490
4640.0000 -121.80864 -117.74527 4.06337 2.18494 -117.84576 659.64711
4645.0000 -122.09933 -117.94415 4.15518 2.18732 -117.81346 663.45303
4650.0000 -122.63903 -118.65608 3.98295 2.16400 -118.12997 641.20130
4655.0000 -122.45634 -119.21905 3.23729 2.11819 -118.75180 602.14723
4660.0000 -122.66201 -118.43157 4.23045 2.11950 -118.73398 577.39950
4665.0000 -121.49621 -117.43894 4.05728 2.17904 -117.92587 613.68523
4670.0000 -122.18192 -118.59802 3.58390 2.22333 -117.32477 672.86154
4675.0000 -121.86312 -117.83127 4.03184 2.18028 -117.90905 638.12787
4680.0000 -123.07132 -118.50971 4.56160 2.13368 -118.54151 607.82072
4685.0000 -123.69013 -119.86698 3.82314 2.09173 -119.11087 596.27200
4690.0000 -122.98269 -118.84256 4.14013 2.05282 -119.63900 563.65434
4695.0000 -121.54860 -116.74959 4.79902 2.14148 -118.43570 571.44113
4700.0000 -120.49044 -116.18611 4.30432 2.30124 -116.26743 734.16485
4705.0000 -120.56604 -117.05485 3.51119 2.30997 -116.14883 734.26955
4710.0000 -121.24229 -117.47977 3.76252 2.20887 -117.52108 631.42642
4715.0000 -121.90221 -118.03365 3.86856 2.19761 -117.67388 616.29184
4720.0000 -121.41201 -117.08533 4.32668 2.22070 -117.36047 640.00885
4725.0000 -122.52813 -118.37402 4.15412 2.18749 -117.81113 632.43998
4730.0000 -122.68985 -118.34260 4.34725 2.16109 -118.16954 612.73967
4735.0000 -122.29993 -117.95922 4.34071 2.14858 -118.33929 602.59975
4740.0000 -122.54147 -117.81507 4.72640 2.17099 -118.03515 644.27439
4745.0000 -122.63805 -119.06537 3.57268 2.15352 -118.27226 623.84785
4750.0000 -122.01764 -117.24732 4.77032 2.16531 -118.11222 665.21256
FREEZING PROCESS: loop number 20 T-loop= 622.00000000000000
main_MD> interactions number 20 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93520 2.21175 9.67255
force_rgl> df(natom) 0.18462 -0.99439 1.32886
4755.0000 -121.24011 -118.00985 3.23026 2.14700 -118.36073 639.84869
4760.0000 -121.77171 -117.94140 3.83031 2.22921 -117.24497 661.75828
4765.0000 -121.26152 -117.11840 4.14312 2.19469 -117.71345 644.92815
4770.0000 -121.81141 -117.67215 4.13926 2.19323 -117.73329 611.22166
4775.0000 -121.15189 -117.83164 3.32024 2.19986 -117.64327 652.66827
4780.0000 -121.54372 -117.28237 4.26136 2.17233 -118.01689 648.74354
4785.0000 -121.48178 -117.71605 3.76574 2.17047 -118.04218 647.71603
4790.0000 -121.42382 -117.63788 3.78594 2.19074 -117.76704 623.89238
4795.0000 -121.46592 -117.19287 4.27304 2.18755 -117.81039 651.43024
4800.0000 -122.06490 -118.58369 3.48121 2.20663 -117.55136 659.60656
4805.0000 -122.36084 -118.54853 3.81231 2.17067 -118.03946 619.20749
4810.0000 -122.72884 -118.83672 3.89213 2.12661 -118.63744 609.31727
4815.0000 -123.13448 -118.93595 4.19853 2.07345 -119.35902 570.85914
4820.0000 -123.65871 -119.49400 4.16471 2.09187 -119.10897 602.20253
4825.0000 -123.36990 -118.76216 4.60774 2.06829 -119.42897 569.58203
4830.0000 -123.52507 -120.18396 3.34110 2.09328 -119.08977 621.24447
4835.0000 -123.27431 -119.82670 3.44761 2.00749 -120.25422 526.45798
4840.0000 -123.30075 -119.82599 3.47476 2.04395 -119.75928 570.52904
4845.0000 -123.15299 -119.08401 4.06897 2.07490 -119.33931 581.95927
4850.0000 -122.41910 -118.42566 3.99344 2.11822 -118.75138 601.93118
4855.0000 -121.94178 -118.46568 3.47610 2.12512 -118.65765 608.26689
4860.0000 -121.57580 -118.25646 3.31934 2.14940 -118.32820 629.97753
4865.0000 -123.41442 -118.85756 4.55686 2.13295 -118.55142 613.28855
4870.0000 -122.70767 -119.18087 3.52680 2.08042 -119.26441 600.21122
4875.0000 -123.19003 -118.70901 4.48102 2.09202 -119.10692 577.36182
4880.0000 -122.18825 -117.31306 4.87519 2.14026 -118.45224 595.86944
4885.0000 -121.38688 -117.26443 4.12245 2.20147 -117.62149 679.01539
4890.0000 -121.93076 -117.47319 4.45757 2.16669 -118.09347 656.67210
4895.0000 -122.96120 -118.64817 4.31303 2.19783 -117.67092 657.83846
4900.0000 -122.43447 -118.05576 4.37870 2.16120 -118.16802 643.76142
4905.0000 -123.69483 -120.27653 3.41830 2.08298 -119.22961 574.26318
4910.0000 -122.73905 -119.24495 3.49410 2.07200 -119.37864 548.20165
4915.0000 -122.28128 -117.57936 4.70192 2.16197 -118.15760 608.93818
4920.0000 -122.55181 -118.76574 3.78607 2.15502 -118.25188 657.53311
4925.0000 -122.66443 -117.60339 5.06104 2.18070 -117.90332 654.21816
4930.0000 -121.27700 -117.58444 3.69256 2.21080 -117.49488 724.80241
4935.0000 -123.27346 -119.12418 4.14929 2.14738 -118.35551 656.90814
4940.0000 -123.01819 -119.24966 3.76854 2.09087 -119.12253 592.35488
4945.0000 -122.84891 -117.99796 4.85096 2.13874 -118.47279 642.03180
4950.0000 -122.26732 -117.48958 4.77774 2.16373 -118.13370 652.20645
4955.0000 -122.99294 -118.71571 4.27723 2.17461 -117.98599 650.84148
4960.0000 -122.43074 -118.19522 4.23552 2.19721 -117.67925 674.36762
4965.0000 -122.27469 -118.23346 4.04124 2.14388 -118.40314 617.37953
4970.0000 -122.25690 -118.33760 3.91930 2.14345 -118.40885 605.66823
4975.0000 -122.23944 -118.32978 3.90965 2.15416 -118.26348 622.96120
4980.0000 -122.29647 -117.99376 4.30271 2.18272 -117.87592 630.41640
4985.0000 -122.51921 -118.62228 3.89694 2.15982 -118.18675 606.61588
4990.0000 -122.81107 -119.15969 3.65138 2.11211 -118.83424 573.42877
4995.0000 -122.80502 -118.77821 4.02680 2.13582 -118.51247 586.74753
5000.0000 -122.51078 -118.80321 3.70758 2.10825 -118.88666 586.31785
FREEZING PROCESS: loop number 21 T-loop= 597.00000000000000
main_MD> interactions number 21 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31983 -3.06669 1.01641
force_rgl> df(natom) 2.16574 -3.84778 1.42998
5005.0000 -123.12022 -119.28615 3.83407 2.10053 -118.99137 574.46413
5010.0000 -121.54765 -117.32003 4.22762 2.15637 -118.23359 625.54045
5015.0000 -122.34159 -117.34213 4.99946 2.24674 -117.00699 689.66964
5020.0000 -121.16914 -116.61809 4.55105 2.23818 -117.12317 660.15067
5025.0000 -122.78143 -118.66751 4.11392 2.20362 -117.59223 648.02796
5030.0000 -122.57199 -118.55376 4.01823 2.11748 -118.76132 589.71712
5035.0000 -123.16630 -118.74881 4.41749 2.11810 -118.75297 586.28083
5040.0000 -122.25997 -117.85900 4.40098 2.12603 -118.64534 595.51581
5045.0000 -123.18808 -119.52258 3.66550 2.11273 -118.82584 598.02929
5050.0000 -122.79520 -118.28953 4.50568 2.10484 -118.93293 595.40332
5055.0000 -121.10187 -117.64442 3.45746 2.15247 -118.28653 606.49273
5060.0000 -121.01452 -116.77646 4.23806 2.25143 -116.94345 652.37711
5065.0000 -122.43088 -118.78953 3.64134 2.18372 -117.86238 685.16042
5070.0000 -121.85986 -118.64955 3.21031 2.07305 -119.36441 574.41925
5075.0000 -122.60948 -118.87640 3.73308 2.12742 -118.62651 604.66151
5080.0000 -122.48530 -117.80559 4.67971 2.13492 -118.52470 612.60839
5085.0000 -122.38357 -118.05675 4.32682 2.16985 -118.05056 656.89435
5090.0000 -122.16232 -118.26114 3.90118 2.16443 -118.12411 636.96174
5095.0000 -122.33370 -118.78336 3.55033 2.14516 -118.38566 589.36701
5100.0000 -122.24217 -118.40419 3.83797 2.18588 -117.83300 637.17551
5105.0000 -122.40047 -118.72694 3.67352 2.12040 -118.72178 580.30448
5110.0000 -121.98084 -117.47344 4.50740 2.16014 -118.18232 620.75873
5115.0000 -122.17801 -118.42147 3.75653 2.17280 -118.01054 628.46207
5120.0000 -121.69386 -117.97824 3.71562 2.19819 -117.66599 651.89352
5125.0000 -123.59761 -119.00926 4.58835 2.12913 -118.60320 624.45921
5130.0000 -122.87264 -120.11322 2.75943 2.02018 -120.08192 522.88611
5135.0000 -121.56575 -117.99764 3.56810 2.11031 -118.85865 581.21216
5140.0000 -122.62583 -118.55164 4.07419 2.14341 -118.40942 606.90186
5145.0000 -122.42643 -119.10330 3.32313 2.12968 -118.59581 612.90898
5150.0000 -123.17564 -119.48171 3.69392 2.08710 -119.17371 591.21893
5155.0000 -122.20660 -118.74199 3.46460 2.10584 -118.91932 596.86418
5160.0000 -123.00591 -118.26292 4.74299 2.12260 -118.69187 609.44270
5165.0000 -122.10668 -118.79483 3.31185 2.14405 -118.40075 633.82669
5170.0000 -123.18639 -119.51590 3.67049 2.08311 -119.22778 581.97343
5175.0000 -122.93844 -119.02102 3.91742 2.07358 -119.35714 582.30343
5180.0000 -123.12825 -119.03048 4.09777 2.09308 -119.09257 580.51616
5185.0000 -122.76219 -118.45519 4.30699 2.06948 -119.41287 555.88829
5190.0000 -122.26830 -117.72476 4.54354 2.17679 -117.95637 674.15877
5195.0000 -123.60714 -119.21008 4.39706 2.13174 -118.56789 618.13853
5200.0000 -123.45233 -119.40494 4.04739 2.08994 -119.13515 594.63311
5205.0000 -122.42247 -118.31759 4.10489 2.10983 -118.86525 590.24129
5210.0000 -122.55393 -118.22291 4.33102 2.10588 -118.91880 590.63145
5215.0000 -122.10502 -118.07080 4.03423 2.12816 -118.61641 580.69007
5220.0000 -122.58445 -118.78033 3.80411 2.19328 -117.73256 624.52139
5225.0000 -122.66836 -118.73662 3.93174 2.12524 -118.65602 579.32279
5230.0000 -122.47700 -118.31394 4.16306 2.14959 -118.32560 631.97907
5235.0000 -121.26392 -117.09615 4.16777 2.22850 -117.25460 676.78397
5240.0000 -122.18078 -117.67493 4.50584 2.21183 -117.48079 662.17914
5245.0000 -122.79606 -118.57480 4.22126 2.16143 -118.16482 647.43993
5250.0000 -122.06997 -118.87799 3.19198 2.14029 -118.45177 602.29455
FREEZING PROCESS: loop number 22 T-loop= 572.00000000000000
main_MD> interactions number 22 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.34468 -0.21446 -1.38517
force_rgl> df(natom) -4.46660 0.55626 5.92385
5255.0000 -122.45763 -119.18075 3.27688 2.10514 -118.92881 582.75939
5260.0000 -123.35913 -119.75591 3.60321 2.07921 -119.28074 567.43440
5265.0000 -122.84741 -119.68075 3.16666 2.02626 -119.99935 524.11322
5270.0000 -122.34428 -118.42984 3.91443 2.07144 -119.38627 545.94375
5275.0000 -122.81503 -118.96941 3.84563 2.09583 -119.05519 564.44909
5280.0000 -123.03045 -119.66195 3.36850 2.07407 -119.35049 570.80913
5285.0000 -123.34660 -120.31481 3.03179 2.01494 -120.15303 519.17519
5290.0000 -123.62753 -119.14491 4.48262 2.04212 -119.78419 557.75462
5295.0000 -122.69953 -118.88996 3.80957 2.08400 -119.21572 576.30521
5300.0000 -122.91369 -118.67598 4.23771 2.10817 -118.88772 586.25128
5305.0000 -123.14163 -118.91461 4.22703 2.09819 -119.02316 593.94051
5310.0000 -122.87726 -118.90169 3.97556 2.10578 -118.92014 588.69414
5315.0000 -122.37414 -118.59949 3.77465 2.11437 -118.80364 587.76764
5320.0000 -123.40693 -120.09627 3.31066 2.07941 -119.27805 553.04843
5325.0000 -123.58673 -120.39967 3.18706 2.00205 -120.32795 491.30338
5330.0000 -122.55361 -119.53838 3.01523 2.02878 -119.96525 520.53401
5335.0000 -122.43815 -119.74110 2.69706 2.05230 -119.64605 544.02933
5340.0000 -123.23545 -119.06316 4.17229 2.09268 -119.09796 610.82996
5345.0000 -122.80296 -119.84903 2.95393 2.01477 -120.15541 519.39921
5350.0000 -122.92971 -119.80990 3.11981 2.01777 -120.11468 527.91182
5355.0000 -123.21024 -120.20112 3.00912 2.02581 -120.00555 512.48712
5360.0000 -123.46039 -120.70681 2.75357 2.02317 -120.04141 533.79173
5365.0000 -123.90193 -120.55913 3.34280 1.97284 -120.72442 491.81441
5370.0000 -123.22409 -120.30445 2.91963 1.96319 -120.85536 473.85840
5375.0000 -123.00944 -119.01571 3.99374 2.05615 -119.59377 569.47115
5380.0000 -122.04619 -118.11266 3.93353 2.07436 -119.34656 564.51820
5385.0000 -122.38650 -118.16384 4.22267 2.14480 -118.39055 619.73676
5390.0000 -123.09979 -118.72352 4.37626 2.15477 -118.25531 627.10594
5395.0000 -123.26478 -118.92942 4.33536 2.08329 -119.22545 594.73550
5400.0000 -123.29239 -119.59328 3.69911 2.06051 -119.53454 557.95153
5405.0000 -123.40944 -119.56565 3.84379 2.08826 -119.15799 586.43804
5410.0000 -122.32925 -118.18305 4.14620 2.12150 -118.70682 609.57306
5415.0000 -122.46526 -118.51820 3.94705 2.16218 -118.15470 636.36987
5420.0000 -122.46721 -119.14974 3.31747 2.11122 -118.84634 601.59422
5425.0000 -123.31241 -119.18575 4.12666 2.09679 -119.04219 588.71026
5430.0000 -123.64431 -119.89651 3.74780 2.06046 -119.53531 573.52196
5435.0000 -123.94378 -119.69346 4.25032 2.06794 -119.43379 570.93927
5440.0000 -123.22138 -119.92035 3.30103 2.03482 -119.88325 537.47545
5445.0000 -123.16950 -120.02835 3.14115 2.05237 -119.64504 563.19432
5450.0000 -123.09914 -118.80939 4.28976 2.08710 -119.17367 604.71139
5455.0000 -123.49662 -119.31895 4.17766 2.09223 -119.10400 590.80870
5460.0000 -123.81841 -120.86265 2.95575 2.01903 -120.09754 542.36047
5465.0000 -123.29550 -119.44724 3.84827 2.02963 -119.95367 541.43598
5470.0000 -123.61960 -119.96840 3.65120 2.02611 -120.00146 530.33200
5475.0000 -122.28230 -119.04687 3.23542 2.06939 -119.41404 565.83043
5480.0000 -121.55055 -118.41473 3.13582 2.12972 -118.59520 583.22703
5485.0000 -122.71503 -118.92093 3.79409 2.14451 -118.39452 612.22694
5490.0000 -122.77406 -119.26442 3.50964 2.08706 -119.17426 572.61936
5495.0000 -122.22845 -118.37863 3.84982 2.11301 -118.82199 575.10662
5500.0000 -121.81538 -117.91534 3.90005 2.15470 -118.25616 602.62894
FREEZING PROCESS: loop number 23 T-loop= 547.00000000000000
main_MD> interactions number 23 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00788 -0.43939 0.92661
force_rgl> df(natom) 0.98606 -2.21499 0.85975
5505.0000 -122.06628 -118.21266 3.85362 2.14001 -118.45565 606.88470
5510.0000 -122.33420 -119.35397 2.98023 2.10376 -118.94756 598.80613
5515.0000 -124.15016 -121.00965 3.14051 2.00363 -120.30658 510.11958
5520.0000 -123.68842 -120.44263 3.24580 1.97747 -120.66154 496.93109
5525.0000 -123.18299 -119.35264 3.83035 2.06481 -119.47628 559.94581
5530.0000 -123.74121 -119.65290 4.08831 2.07344 -119.35915 578.14129
5535.0000 -123.73401 -119.66302 4.07099 2.04153 -119.79216 543.23735
5540.0000 -122.92816 -119.20942 3.71874 2.06942 -119.41361 559.93717
5545.0000 -122.33506 -118.40446 3.93060 2.10397 -118.94472 559.17614
5550.0000 -122.62485 -119.18872 3.43613 2.10577 -118.92030 595.28133
5555.0000 -123.39416 -119.92078 3.47338 2.07200 -119.37866 572.29824
5560.0000 -123.36952 -119.39460 3.97492 2.06282 -119.50321 534.25760
5565.0000 -123.14607 -119.71605 3.43002 2.06815 -119.43087 543.63897
5570.0000 -122.29625 -118.78974 3.50651 2.05108 -119.66259 540.06911
5575.0000 -122.98483 -119.94405 3.04078 2.05740 -119.57676 571.26580
5580.0000 -122.91533 -119.63094 3.28438 2.03981 -119.81547 535.88029
5585.0000 -124.00164 -120.55667 3.44497 2.02472 -120.02026 524.29441
5590.0000 -122.35115 -119.01383 3.33732 2.02698 -119.98963 537.31037
5595.0000 -123.31972 -119.96018 3.35954 2.07935 -119.27894 621.66552
5600.0000 -124.84113 -120.69974 4.14139 1.96896 -120.77715 534.85669
5605.0000 -124.53797 -121.44061 3.09736 1.95040 -121.02902 524.18954
5610.0000 -124.79148 -121.58374 3.20774 1.93812 -121.19572 492.87390
5615.0000 -124.20266 -121.66758 2.53507 1.91538 -121.50423 482.21494
5620.0000 -123.97814 -120.59539 3.38275 1.95437 -120.97513 524.82378
5625.0000 -123.54757 -119.29040 4.25717 2.03419 -119.89185 590.39826
5630.0000 -123.13728 -119.37946 3.75782 2.07957 -119.27595 622.81402
5635.0000 -123.66989 -120.49428 3.17560 2.01338 -120.17428 555.03013
5640.0000 -123.99818 -120.05538 3.94280 1.99243 -120.45862 534.83005
5645.0000 -124.46173 -120.97594 3.48579 1.95121 -121.01802 526.21835
5650.0000 -124.13905 -120.98632 3.15273 1.94724 -121.07192 499.36417
5655.0000 -124.01280 -120.58616 3.42664 1.97554 -120.68776 523.81823
5660.0000 -123.04228 -119.70166 3.34062 1.99766 -120.38765 554.68859
5665.0000 -123.74778 -119.86853 3.87925 2.04044 -119.80703 584.56023
5670.0000 -124.27136 -120.89182 3.37954 2.00565 -120.27909 557.22990
5675.0000 -124.37875 -120.81676 3.56199 1.97220 -120.73316 510.42635
5680.0000 -124.28203 -120.96901 3.31302 1.96056 -120.89105 538.48545
5685.0000 -124.60727 -121.41994 3.18733 1.94512 -121.10060 521.44116
5690.0000 -124.52868 -121.59992 2.92877 1.89836 -121.73535 475.30666
5695.0000 -124.35917 -121.10294 3.25623 1.92031 -121.43743 495.87131
5700.0000 -123.60651 -119.54459 4.06192 1.97364 -120.71356 529.81198
5705.0000 -123.63380 -119.37622 4.25758 2.05608 -119.59473 586.16853
5710.0000 -122.81470 -119.47573 3.33897 2.06153 -119.52072 576.99123
5715.0000 -122.24283 -118.44710 3.79573 2.09892 -119.01329 596.99079
5720.0000 -123.37738 -120.37176 3.00562 2.03657 -119.85955 559.43883
5725.0000 -123.30175 -119.42250 3.87925 2.03469 -119.88505 524.77543
5730.0000 -123.18581 -119.34221 3.84360 2.07275 -119.36846 555.48138
5735.0000 -123.57372 -119.49652 4.07720 2.10035 -118.99390 592.07984
5740.0000 -123.01121 -119.63470 3.37651 2.06321 -119.49796 551.26585
5745.0000 -123.30574 -118.71701 4.58873 2.09851 -119.01879 565.85263
5750.0000 -122.38278 -119.16781 3.21497 2.07565 -119.32910 582.38231
FREEZING PROCESS: loop number 24 T-loop= 522.00000000000000
main_MD> interactions number 24 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08938 5.66328 0.68480
force_rgl> df(natom) 0.15018 1.68367 2.60701
5755.0000 -122.64421 -118.63115 4.01306 2.13391 -118.53840 602.30252
5760.0000 -123.27214 -119.02796 4.24418 2.08382 -119.21819 570.44200
5765.0000 -122.70288 -119.61888 3.08400 2.03471 -119.88475 539.94540
5770.0000 -124.07937 -120.72266 3.35671 2.01573 -120.14233 512.26978
5775.0000 -123.05823 -120.21994 2.83829 2.01051 -120.21322 506.30969
5780.0000 -123.68476 -119.68603 3.99872 2.01806 -120.11066 522.34883
5785.0000 -122.65554 -120.46232 2.19322 2.04284 -119.77435 556.72568
5790.0000 -124.41393 -120.64628 3.76765 1.98400 -120.57297 493.92678
5795.0000 -124.18493 -120.57718 3.60774 1.97431 -120.70452 492.78280
5800.0000 -122.68353 -120.13514 2.54839 2.02301 -120.04352 519.71452
5805.0000 -123.97562 -120.56110 3.41453 2.05382 -119.62534 529.12683
5810.0000 -123.50295 -120.67922 2.82373 1.99864 -120.37427 497.68186
5815.0000 -123.67737 -120.72335 2.95402 1.97415 -120.70662 509.24435
5820.0000 -122.51488 -119.69710 2.81778 2.01123 -120.20347 533.05518
5825.0000 -123.07938 -119.69422 3.38516 2.04105 -119.79871 544.99362
5830.0000 -122.83430 -119.61906 3.21524 2.02278 -120.04668 525.15510
5835.0000 -123.12731 -120.02435 3.10296 1.97720 -120.66523 485.10425
5840.0000 -123.16922 -119.61837 3.55085 2.02925 -119.95884 548.91617
5845.0000 -123.19445 -118.94567 4.24879 2.10508 -118.92966 601.12081
5850.0000 -124.05688 -119.75756 4.29932 2.07823 -119.29404 565.40139
5855.0000 -123.52221 -119.93939 3.58281 2.04209 -119.78451 561.74622
5860.0000 -123.97260 -121.07876 2.89384 1.99745 -120.39042 512.31424
5865.0000 -123.09181 -120.41309 2.67872 2.02279 -120.04645 531.66290
5870.0000 -122.71999 -119.88638 2.83361 2.01626 -120.13514 527.55597
5875.0000 -123.32355 -120.14662 3.17693 1.98715 -120.53021 493.87072
5880.0000 -124.02469 -120.40656 3.61813 2.02579 -120.00578 548.63748
5885.0000 -123.01476 -119.90589 3.10888 2.01356 -120.17185 501.77141
5890.0000 -123.69618 -120.06777 3.62841 2.04437 -119.75367 511.62750
5895.0000 -122.32607 -118.92532 3.40075 2.03174 -119.92504 503.24377
5900.0000 -122.75403 -119.38845 3.36558 2.08492 -119.20330 564.00701
5905.0000 -122.66572 -119.26785 3.39787 2.09728 -119.03559 560.68648
5910.0000 -123.05527 -119.09106 3.96421 2.09967 -119.00307 569.88402
5915.0000 -123.70130 -120.09349 3.60781 2.05085 -119.66570 550.37331
5920.0000 -122.79455 -119.26873 3.52582 2.04974 -119.68078 547.37031
5925.0000 -123.68600 -119.65028 4.03572 2.06681 -119.44911 557.49293
5930.0000 -122.14191 -118.41403 3.72788 2.09313 -119.09188 581.72849
5935.0000 -123.50220 -120.57409 2.92810 2.08337 -119.22435 566.22540
5940.0000 -124.03716 -120.69352 3.34364 1.98445 -120.56691 495.55253
5945.0000 -123.30768 -119.88768 3.42000 1.98867 -120.50953 521.46593
5950.0000 -123.83137 -120.75156 3.07981 2.00375 -120.30495 522.11940
5955.0000 -123.97374 -119.90577 4.06797 2.00701 -120.26067 523.48831
5960.0000 -123.47599 -120.02186 3.45413 2.01758 -120.11725 518.26317
5965.0000 -123.26559 -120.27006 2.99553 2.03126 -119.93159 520.05214
5970.0000 -123.49852 -120.18208 3.31644 2.01521 -120.14933 542.30053
5975.0000 -123.92663 -120.94894 2.97770 2.00181 -120.33128 527.60820
5980.0000 -123.56914 -119.90128 3.66786 1.98398 -120.57320 534.35126
5985.0000 -124.18467 -120.32274 3.86192 1.98333 -120.58202 525.32544
5990.0000 -123.96925 -120.30346 3.66579 1.98167 -120.60467 522.89257
5995.0000 -124.45171 -120.91363 3.53808 1.97454 -120.70139 514.71574
6000.0000 -123.63367 -119.48231 4.15136 2.00620 -120.27164 517.68144
FREEZING PROCESS: loop number 25 T-loop= 497.00000000000000
main_MD> interactions number 25 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12779 0.41120 1.99299
force_rgl> df(natom) 2.30988 -0.41938 0.33275
6005.0000 -124.35012 -120.47279 3.87733 1.98921 -120.50225 505.49399
6010.0000 -124.01930 -121.17150 2.84780 1.97411 -120.70719 482.93717
6015.0000 -123.72194 -120.67847 3.04348 1.97108 -120.74826 488.10058
6020.0000 -124.00984 -120.71960 3.29024 1.98337 -120.58159 523.50222
6025.0000 -123.48974 -119.79258 3.69716 1.99714 -120.39466 523.82869
6030.0000 -123.59842 -120.68191 2.91651 2.00546 -120.28166 526.04501
6035.0000 -122.92773 -119.90307 3.02466 1.99728 -120.39272 469.45072
6040.0000 -123.29765 -120.16631 3.13135 2.04728 -119.71409 522.31532
6045.0000 -122.75230 -119.62924 3.12306 2.00969 -120.22425 499.56469
6050.0000 -123.83397 -120.11950 3.71447 2.03453 -119.88714 547.26798
6055.0000 -124.43544 -120.90521 3.53023 1.95220 -121.00454 472.49114
6060.0000 -123.96959 -120.36848 3.60111 1.98557 -120.55169 502.87897
6065.0000 -124.39846 -121.57323 2.82523 1.93818 -121.19491 432.87884
6070.0000 -124.32562 -120.76338 3.56224 1.92511 -121.37221 430.23775
6075.0000 -123.30411 -119.83914 3.46497 1.98570 -120.54988 493.21634
6080.0000 -123.22707 -120.10647 3.12060 2.05825 -119.56528 546.41690
6085.0000 -123.30157 -120.14612 3.15545 2.02367 -120.03456 497.46260
6090.0000 -122.69511 -119.22792 3.46719 2.05279 -119.63930 508.43732
6095.0000 -123.57033 -119.85630 3.71403 2.04818 -119.70195 528.34602
6100.0000 -123.31750 -120.02505 3.29245 2.01636 -120.13374 519.26802
6105.0000 -124.05529 -120.98573 3.06956 1.97133 -120.74498 478.45226
6110.0000 -123.91877 -120.64186 3.27690 1.99948 -120.36283 512.12576
6115.0000 -124.06572 -120.89178 3.17393 1.97892 -120.64192 500.86227
6120.0000 -123.95505 -120.27004 3.68501 1.97264 -120.72715 496.93023
6125.0000 -123.12628 -120.13051 2.99577 1.99961 -120.36115 526.09910
6130.0000 -123.47407 -120.89785 2.57622 1.99874 -120.37291 501.20207
6135.0000 -123.69360 -120.91962 2.77398 1.96246 -120.86538 476.08194
6140.0000 -122.97974 -120.01198 2.96776 1.99294 -120.45162 496.60749
6145.0000 -122.98214 -119.63416 3.34798 2.03604 -119.86672 535.62888
6150.0000 -123.69852 -121.01849 2.68003 2.03166 -119.92607 514.26131
6155.0000 -123.64746 -121.17086 2.47659 1.96255 -120.86412 454.18818
6160.0000 -123.96126 -121.35579 2.60547 1.93497 -121.23842 435.98149
6165.0000 -124.03685 -120.53224 3.50460 1.96113 -120.88336 466.25097
6170.0000 -123.96422 -120.98634 2.97789 1.95504 -120.96606 457.11084
6175.0000 -124.88856 -121.79088 3.09768 1.94129 -121.15260 482.46413
6180.0000 -124.01556 -121.05455 2.96101 1.89623 -121.76413 454.55083
6185.0000 -124.94627 -121.61246 3.33381 1.92421 -121.38451 472.01684
6190.0000 -123.92938 -120.93651 2.99286 1.93234 -121.27417 489.21395
6195.0000 -123.93138 -120.48539 3.44599 1.98392 -120.57401 532.25175
6200.0000 -123.99144 -120.74648 3.24495 1.98083 -120.61595 532.06178
6205.0000 -124.23070 -120.65961 3.57109 1.95140 -121.01536 503.39829
6210.0000 -124.57385 -121.32742 3.24642 1.95436 -120.97519 486.12721
6215.0000 -123.21781 -120.45642 2.76139 1.97252 -120.72874 515.16066
6220.0000 -124.08593 -120.91709 3.16883 1.93602 -121.22417 480.40533
6225.0000 -124.40662 -120.45366 3.95295 1.96163 -120.87659 500.09099
6230.0000 -124.94845 -121.35108 3.59737 1.96856 -120.78253 522.26806
6235.0000 -124.04408 -120.76908 3.27500 1.92620 -121.35743 496.49267
6240.0000 -124.31322 -120.38397 3.92925 1.96656 -120.80963 535.77067
6245.0000 -124.03448 -120.77470 3.25977 1.95780 -120.92850 496.99472
6250.0000 -124.92816 -121.05884 3.86931 1.96087 -120.88696 523.41760
FREEZING PROCESS: loop number 26 T-loop= 472.00000000000000
main_MD> interactions number 26 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00624 1.38976 0.97785
force_rgl> df(natom) 2.32312 -3.35220 1.45375
6255.0000 -123.64826 -120.38985 3.25841 1.94812 -121.05988 501.98041
6260.0000 -124.05727 -120.71937 3.33790 1.99566 -120.41473 556.75823
6265.0000 -123.89066 -121.10874 2.78193 1.93186 -121.28068 499.33137
6270.0000 -124.82488 -121.00287 3.82201 1.92781 -121.33559 492.65207
6275.0000 -124.99284 -121.23183 3.76100 1.94623 -121.08566 506.51416
6280.0000 -124.38236 -121.08958 3.29278 1.93345 -121.25900 492.09215
6285.0000 -124.02890 -120.71267 3.31623 1.96993 -120.76388 509.45398
6290.0000 -124.57590 -121.52286 3.05304 1.93392 -121.25262 484.10266
6295.0000 -124.78042 -121.68709 3.09333 1.93029 -121.30189 470.71023
6300.0000 -124.46572 -121.56443 2.90129 1.89223 -121.81847 466.58482
6305.0000 -124.91491 -122.23212 2.68279 1.84940 -122.39975 413.75625
6310.0000 -125.49434 -122.45190 3.04243 1.87324 -122.07622 431.70748
6315.0000 -124.28709 -121.32240 2.96468 1.87885 -122.00011 448.91909
6320.0000 -124.28931 -120.69756 3.59175 1.97184 -120.73802 514.10582
6325.0000 -124.65323 -121.21531 3.43792 1.95071 -121.02473 492.63413
6330.0000 -124.55714 -121.29612 3.26102 1.91836 -121.46389 473.75892
6335.0000 -125.05175 -121.68994 3.36181 1.89760 -121.74555 458.32803
6340.0000 -124.72674 -121.75202 2.97472 1.90909 -121.58961 459.38840
6345.0000 -125.38292 -121.71975 3.66318 1.89348 -121.80153 468.68352
6350.0000 -124.79539 -122.48092 2.31447 1.84983 -122.39400 420.30217
6355.0000 -124.85476 -121.61637 3.23838 1.87675 -122.02863 428.12513
6360.0000 -125.20532 -122.27939 2.92593 1.89000 -121.84879 436.71624
6365.0000 -124.77178 -122.37419 2.39759 1.85643 -122.30439 410.75990
6370.0000 -124.87286 -122.27258 2.60028 1.85247 -122.35814 405.18609
6375.0000 -125.17883 -121.69596 3.48287 1.90984 -121.57949 473.80633
6380.0000 -124.58968 -121.76621 2.82348 1.90814 -121.60252 460.39226
6385.0000 -124.24749 -121.55188 2.69561 1.90971 -121.58128 439.70957
6390.0000 -123.50508 -120.90715 2.59792 1.95457 -120.97234 481.15192
6395.0000 -123.65122 -120.03474 3.61649 1.99582 -120.41250 492.97274
6400.0000 -124.26358 -121.30447 2.95911 1.94411 -121.11430 489.02177
6405.0000 -124.85714 -122.29714 2.56000 1.93051 -121.29897 477.97082
6410.0000 -125.06140 -122.07136 2.99003 1.87176 -122.09631 428.30390
6415.0000 -124.55817 -121.48357 3.07459 1.88352 -121.93676 450.29004
6420.0000 -124.51280 -121.73503 2.77777 1.92912 -121.31786 480.92780
6425.0000 -124.73593 -121.63781 3.09813 1.89420 -121.79174 461.23651
6430.0000 -124.80276 -121.30739 3.49537 1.94269 -121.13367 486.87854
6435.0000 -124.18904 -120.77694 3.41210 1.93068 -121.29662 495.88061
6440.0000 -124.91230 -121.45791 3.45440 1.95187 -121.00911 513.08876
6445.0000 -124.79749 -121.81688 2.98061 1.88846 -121.86964 446.27503
6450.0000 -124.77185 -121.88197 2.88989 1.91759 -121.47432 476.79045
6455.0000 -124.84556 -121.23976 3.60580 1.91265 -121.54139 491.46534
6460.0000 -124.62199 -121.77755 2.84445 1.90968 -121.58162 483.04965
6465.0000 -124.77662 -121.77230 3.00432 1.89008 -121.84763 456.99793
6470.0000 -125.35365 -122.62201 2.73164 1.87359 -122.07141 442.22345
6475.0000 -125.43139 -122.55203 2.87936 1.85415 -122.33535 420.49530
6480.0000 -124.96045 -121.55323 3.40722 1.86068 -122.24668 433.10054
6485.0000 -123.87006 -120.30117 3.56890 1.95402 -120.97994 519.45674
6490.0000 -123.63540 -121.11745 2.51795 1.94957 -121.04023 515.94505
6495.0000 -124.55763 -120.78633 3.77131 1.93571 -121.22832 488.91855
6500.0000 -124.47260 -120.75734 3.71525 1.95974 -120.90224 494.68438
FREEZING PROCESS: loop number 27 T-loop= 447.00000000000000
main_MD> interactions number 27 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86759 -1.16270 -2.44965
force_rgl> df(natom) -2.59445 -0.99356 -0.04103
6505.0000 -124.36272 -121.34032 3.02239 1.94770 -121.06566 517.94487
6510.0000 -124.25443 -121.90665 2.34778 1.92333 -121.39640 478.94906
6515.0000 -123.56546 -120.53725 3.02821 1.93935 -121.17896 467.88495
6520.0000 -123.65620 -120.54485 3.11134 1.96589 -120.81882 462.49532
6525.0000 -124.12202 -120.62690 3.49511 1.99102 -120.47767 462.73135
6530.0000 -122.93022 -120.10267 2.82754 1.99972 -120.35966 471.33020
6535.0000 -122.89579 -120.34422 2.55157 2.03366 -119.89899 534.76304
6540.0000 -124.29272 -121.53888 2.75384 1.95588 -120.95461 467.39577
6545.0000 -123.80262 -120.94776 2.85486 1.94470 -121.10637 466.24900
6550.0000 -124.44551 -121.78607 2.65944 1.92432 -121.38291 445.62592
6555.0000 -124.36858 -121.74268 2.62590 1.91706 -121.48146 453.69662
6560.0000 -124.46022 -121.70255 2.75767 1.88054 -121.97715 403.32436
6565.0000 -125.34900 -122.68020 2.66880 1.87918 -121.99562 411.22969
6570.0000 -124.55674 -121.76373 2.79301 1.87507 -122.05132 411.54611
6575.0000 -124.31880 -121.37983 2.93897 1.90120 -121.69668 447.56271
6580.0000 -124.84115 -121.91895 2.92220 1.91078 -121.56677 440.71230
6585.0000 -124.54446 -121.87581 2.66865 1.91951 -121.44827 445.16718
6590.0000 -124.28457 -121.70267 2.58190 1.90467 -121.64968 439.17371
6595.0000 -124.06876 -121.04502 3.02374 1.95813 -120.92403 471.36948
6600.0000 -123.98584 -121.37713 2.60871 1.93433 -121.24716 452.75715
6605.0000 -124.57715 -121.64118 2.93597 1.92019 -121.43896 436.09987
6610.0000 -124.18763 -120.97154 3.21609 1.91505 -121.50883 428.99508
6615.0000 -123.13321 -120.73693 2.39628 1.95203 -121.00688 457.97821
6620.0000 -124.35482 -121.32080 3.03402 1.92832 -121.32863 439.45261
6625.0000 -124.81175 -122.04457 2.76718 1.91373 -121.52672 432.31655
6630.0000 -125.27414 -122.23846 3.03568 1.86744 -122.15487 384.18065
6635.0000 -124.86765 -121.85074 3.01691 1.88191 -121.95856 418.87367
6640.0000 -124.78670 -121.99246 2.79424 1.89947 -121.72027 455.01508
6645.0000 -125.25651 -122.59845 2.65806 1.84700 -122.43233 404.56063
6650.0000 -124.86615 -122.18265 2.68350 1.86779 -122.15014 421.03988
6655.0000 -123.99278 -121.24511 2.74766 1.90851 -121.59756 430.53765
6660.0000 -124.82783 -121.76641 3.06141 1.92195 -121.41511 445.88607
6665.0000 -124.13417 -120.99167 3.14251 1.93549 -121.23138 480.59740
6670.0000 -123.85328 -121.17705 2.67623 1.94758 -121.06733 452.19470
6675.0000 -124.77928 -121.51886 3.26043 1.92427 -121.38368 442.64502
6680.0000 -124.69670 -121.82479 2.87191 1.87168 -122.09737 418.76311
6685.0000 -124.31342 -121.55890 2.75452 1.91848 -121.46228 474.15001
6690.0000 -125.10078 -122.19752 2.90325 1.89802 -121.73988 456.01930
6695.0000 -124.95310 -122.44426 2.50884 1.85086 -122.38002 420.31814
6700.0000 -124.65886 -121.71824 2.94062 1.85201 -122.36442 409.86072
6705.0000 -124.53075 -122.14989 2.38087 1.87925 -121.99467 435.78268
6710.0000 -125.07759 -122.19421 2.88339 1.87229 -122.08915 411.76536
6715.0000 -125.16707 -122.17012 2.99695 1.86801 -122.14717 406.47401
6720.0000 -124.54118 -121.92854 2.61264 1.87936 -121.99317 424.29626
6725.0000 -125.23139 -122.53915 2.69224 1.87340 -122.07410 411.57966
6730.0000 -124.84284 -122.53497 2.30786 1.83446 -122.60251 395.77973
6735.0000 -124.70409 -121.39437 3.30972 1.86650 -122.16766 408.69758
6740.0000 -124.93093 -122.71951 2.21142 1.87396 -122.06645 435.78849
6745.0000 -125.15188 -122.71205 2.43983 1.82999 -122.66318 408.44415
6750.0000 -125.25238 -122.46100 2.79139 1.82513 -122.72918 397.74419
FREEZING PROCESS: loop number 28 T-loop= 422.00000000000000
main_MD> interactions number 28 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85824 -2.08774 -0.64852
force_rgl> df(natom) -1.73873 -0.12791 0.20692
6755.0000 -125.02020 -121.62459 3.39561 1.85931 -122.26532 426.21740
6760.0000 -124.87537 -121.81376 3.06161 1.88000 -121.98448 441.31216
6765.0000 -125.11877 -122.90661 2.21216 1.84300 -122.48663 404.40713
6770.0000 -124.72422 -121.72447 2.99975 1.85995 -122.25653 426.67271
6775.0000 -125.38893 -122.99080 2.39813 1.86065 -122.24708 438.55091
6780.0000 -125.45189 -122.70103 2.75086 1.78989 -123.20741 379.16460
6785.0000 -125.69902 -122.85472 2.84430 1.84251 -122.49331 426.93670
6790.0000 -125.61049 -123.39561 2.21489 1.81154 -122.91363 396.77978
6795.0000 -126.02398 -123.91229 2.11169 1.75739 -123.64861 352.73918
6800.0000 -125.70969 -123.13116 2.57853 1.75700 -123.65389 345.03561
6805.0000 -125.59169 -122.85961 2.73208 1.78828 -123.22931 381.70244
6810.0000 -124.95122 -122.41545 2.53577 1.82044 -122.79286 401.67552
6815.0000 -125.24533 -122.74226 2.50307 1.83450 -122.60204 411.25305
6820.0000 -125.10385 -122.39739 2.70646 1.81043 -122.92869 401.37672
6825.0000 -125.09025 -121.83568 3.25457 1.86895 -122.13444 422.04698
6830.0000 -124.68529 -121.88273 2.80256 1.89151 -121.82830 449.11665
6835.0000 -123.86713 -121.05128 2.81585 1.91673 -121.48598 455.91695
6840.0000 -123.95925 -121.34202 2.61723 1.94006 -121.16934 476.16164
6845.0000 -124.58697 -122.09656 2.49042 1.88533 -121.91212 424.03572
6850.0000 -124.44735 -121.74668 2.70068 1.90921 -121.58804 460.47399
6855.0000 -124.52489 -121.81208 2.71281 1.87530 -122.04822 427.53880
6860.0000 -125.14099 -122.30553 2.83546 1.87530 -122.04821 407.28406
6865.0000 -124.36055 -121.54538 2.81517 1.88224 -121.95406 404.03861
6870.0000 -124.35879 -121.46949 2.88930 1.90508 -121.64413 430.88827
6875.0000 -123.57209 -120.53894 3.03315 1.93132 -121.28795 441.38974
6880.0000 -124.08506 -121.02792 3.05714 1.97456 -120.70114 455.09474
6885.0000 -124.08409 -121.20103 2.88306 1.93146 -121.28612 456.48829
6890.0000 -124.78666 -122.05869 2.72797 1.90236 -121.68101 430.35544
6895.0000 -124.15363 -120.85750 3.29613 1.91554 -121.50216 453.51526
6900.0000 -124.37138 -121.76674 2.60464 1.92064 -121.43289 457.79818
6905.0000 -125.08139 -122.20643 2.87496 1.90402 -121.65841 436.64485
6910.0000 -125.01891 -122.30132 2.71760 1.87924 -121.99478 422.30995
6915.0000 -125.23477 -122.34707 2.88770 1.84573 -122.44955 397.10506
6920.0000 -124.67064 -121.98178 2.68886 1.87554 -122.04498 419.65930
6925.0000 -124.94530 -121.58491 3.36038 1.89043 -121.84287 423.20882
6930.0000 -124.26271 -121.73761 2.52510 1.90166 -121.69048 428.82648
6935.0000 -124.56573 -121.80240 2.76332 1.90355 -121.66488 435.65610
6940.0000 -124.44233 -122.02325 2.41908 1.87745 -122.01910 410.26008
6945.0000 -124.41174 -121.57817 2.83357 1.86055 -122.24841 383.91503
6950.0000 -124.15752 -121.30474 2.85278 1.92852 -121.32591 461.31477
6955.0000 -123.73969 -120.43583 3.30386 1.96907 -120.77563 489.71823
6960.0000 -124.07939 -120.74953 3.32986 1.97873 -120.64450 484.83962
6965.0000 -123.96282 -121.09370 2.86912 1.95832 -120.92150 467.69349
6970.0000 -124.51760 -122.00331 2.51429 1.91494 -121.51027 412.95593
6975.0000 -125.31382 -121.82710 3.48671 1.87946 -121.99174 400.93468
6980.0000 -124.53264 -121.77278 2.75986 1.89819 -121.73755 433.16346
6985.0000 -124.83975 -122.25084 2.58891 1.90349 -121.66562 452.27131
6990.0000 -124.39260 -121.82356 2.56905 1.87599 -122.03887 422.35313
6995.0000 -125.25723 -122.29214 2.96509 1.85482 -122.32621 414.30131
7000.0000 -125.09083 -122.44514 2.64569 1.85039 -122.38640 411.03195
FREEZING PROCESS: loop number 29 T-loop= 397.00000000000000
main_MD> interactions number 29 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26237 2.96392 -2.10673
force_rgl> df(natom) -0.81243 -0.90492 0.89274
7005.0000 -124.74991 -122.15986 2.59005 1.85387 -122.33906 409.00206
7010.0000 -125.02153 -122.26848 2.75306 1.87712 -122.02360 433.38152
7015.0000 -124.72196 -121.91335 2.80861 1.87772 -122.01548 426.33852
7020.0000 -125.19649 -122.84235 2.35414 1.84122 -122.51074 395.54297
7025.0000 -125.32892 -122.80618 2.52274 1.82262 -122.76324 389.72707
7030.0000 -124.70792 -121.95978 2.74814 1.84148 -122.50724 412.09980
7035.0000 -125.11054 -122.55496 2.55558 1.86262 -122.22038 422.72870
7040.0000 -125.67004 -123.16189 2.50815 1.81974 -122.80236 391.72879
7045.0000 -125.79129 -123.16626 2.62503 1.79957 -123.07603 375.50928
7050.0000 -125.41875 -122.70881 2.70993 1.80560 -122.99423 372.21492
7055.0000 -125.22594 -122.15337 3.07257 1.85821 -122.28024 411.92293
7060.0000 -125.04004 -122.91135 2.12869 1.83875 -122.54437 390.51076
7065.0000 -125.02672 -122.30757 2.71915 1.82649 -122.71068 377.53181
7070.0000 -124.94440 -122.38972 2.55468 1.87561 -122.04399 431.04807
7075.0000 -124.80105 -122.38067 2.42038 1.84696 -122.43283 398.72066
7080.0000 -124.37686 -121.93931 2.43755 1.87734 -122.02060 414.54683
7085.0000 -125.03910 -122.08932 2.94978 1.86603 -122.17401 429.75525
7090.0000 -125.37969 -122.66505 2.71464 1.85013 -122.38990 409.95488
7095.0000 -125.04391 -122.66552 2.37839 1.82507 -122.73003 385.83697
7100.0000 -124.92631 -122.42551 2.50080 1.83459 -122.60078 393.00194
7105.0000 -124.42481 -122.05005 2.37477 1.86973 -122.12383 417.35427
7110.0000 -125.13319 -122.50595 2.62724 1.85798 -122.28336 403.00822
7115.0000 -125.73127 -123.15311 2.57816 1.85380 -122.34000 422.59088
7120.0000 -125.26868 -123.19016 2.07851 1.80126 -123.05313 373.89761
7125.0000 -125.31504 -122.44927 2.86577 1.82540 -122.72552 399.07546
7130.0000 -125.13817 -122.70020 2.43797 1.84929 -122.40128 420.11208
7135.0000 -124.89772 -122.57881 2.31891 1.81182 -122.90984 375.34742
7140.0000 -124.78162 -122.44186 2.33977 1.85056 -122.38404 384.54649
7145.0000 -124.85133 -122.79800 2.05333 1.81155 -122.91351 360.75566
7150.0000 -125.87756 -123.69653 2.18104 1.79732 -123.10661 362.64709
7155.0000 -125.53197 -123.22719 2.30477 1.76364 -123.56368 348.65681
7160.0000 -125.70467 -123.29450 2.41018 1.80201 -123.04289 376.63407
7165.0000 -125.57695 -122.91339 2.66356 1.78262 -123.30617 352.34638
7170.0000 -125.05819 -122.38328 2.67491 1.86841 -122.14182 437.11285
7175.0000 -124.81076 -122.04061 2.77015 1.85530 -122.31971 419.68023
7180.0000 -125.40812 -122.38368 3.02444 1.88536 -121.91177 446.94063
7185.0000 -125.15546 -122.92288 2.23259 1.83444 -122.60277 400.67922
7190.0000 -125.88154 -123.01805 2.86349 1.80115 -123.05462 376.54265
7195.0000 -125.79344 -122.89197 2.90146 1.79954 -123.07642 380.76972
7200.0000 -125.82411 -123.52143 2.30268 1.80461 -123.00764 379.47073
7205.0000 -125.05701 -122.13213 2.92488 1.81415 -122.87825 382.41277
7210.0000 -124.03572 -121.73343 2.30229 1.88057 -121.97671 445.37617
7215.0000 -125.22212 -122.40941 2.81271 1.86867 -122.13824 421.26156
7220.0000 -124.63335 -122.30785 2.32550 1.85780 -122.28576 409.30452
7225.0000 -125.77706 -122.71314 3.06392 1.84794 -122.41957 412.38187
7230.0000 -124.95058 -122.72837 2.22221 1.83835 -122.54977 405.06854
7235.0000 -125.49363 -122.96879 2.52484 1.82658 -122.70951 390.40105
7240.0000 -125.40110 -123.56397 1.83713 1.79310 -123.16394 369.84540
7245.0000 -125.20881 -122.32786 2.88095 1.78281 -123.30349 360.98142
7250.0000 -125.51948 -122.83027 2.68921 1.84172 -122.50401 409.72208
FREEZING PROCESS: loop number 30 T-loop= 372.00000000000000
main_MD> interactions number 30 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.69207 0.86111 -0.21038
force_rgl> df(natom) 2.83575 3.24891 -0.29934
7255.0000 -125.45468 -123.28659 2.16809 1.81784 -122.82809 388.64260
7260.0000 -125.23890 -122.58203 2.65687 1.81768 -122.83028 388.18018
7265.0000 -125.63986 -123.11269 2.52717 1.81314 -122.89196 387.45220
7270.0000 -125.36883 -122.78103 2.58779 1.82652 -122.71033 394.69427
7275.0000 -125.37974 -123.19073 2.18901 1.79854 -123.09003 376.32721
7280.0000 -125.69704 -123.53673 2.16031 1.75871 -123.63059 338.12340
7285.0000 -125.60102 -123.51112 2.08990 1.76948 -123.48452 349.71272
7290.0000 -125.01793 -122.63770 2.38023 1.78266 -123.30558 357.46148
7295.0000 -124.92557 -122.36923 2.55634 1.84205 -122.49959 405.46751
7300.0000 -125.35408 -122.85865 2.49543 1.83809 -122.55328 407.03581
7305.0000 -124.84418 -122.71272 2.13146 1.83238 -122.63078 400.06113
7310.0000 -125.63706 -123.65320 1.98386 1.79799 -123.09754 367.03836
7315.0000 -125.27471 -122.93505 2.33967 1.78667 -123.25121 346.62224
7320.0000 -125.06001 -122.95561 2.10440 1.80689 -122.97678 369.67415
7325.0000 -125.08521 -122.57931 2.50589 1.81009 -122.93323 369.71864
7330.0000 -125.27023 -122.73894 2.53129 1.82029 -122.79490 384.95656
7335.0000 -124.99599 -122.40870 2.58729 1.83375 -122.61217 397.58307
7340.0000 -125.81678 -123.74801 2.06877 1.80910 -122.94673 363.99756
7345.0000 -125.41189 -123.17784 2.23404 1.77304 -123.43619 333.55054
7350.0000 -125.09558 -122.73087 2.36472 1.82052 -122.79180 376.63482
7355.0000 -124.77949 -122.00708 2.77241 1.85026 -122.38817 407.56013
7360.0000 -125.04401 -122.62325 2.42076 1.86302 -122.21487 420.11776
7365.0000 -125.82656 -123.25485 2.57171 1.81794 -122.82674 384.01214
7370.0000 -125.23783 -123.23175 2.00609 1.79629 -123.12057 366.07011
7375.0000 -125.86320 -123.47951 2.38369 1.79294 -123.16606 354.15370
7380.0000 -125.63983 -123.25045 2.38938 1.76412 -123.55724 318.12419
7385.0000 -125.55231 -123.21847 2.33385 1.79051 -123.19901 348.64713
7390.0000 -125.56485 -123.16180 2.40306 1.79207 -123.17785 356.58957
7395.0000 -125.21014 -122.38946 2.82068 1.81592 -122.85421 380.91404
7400.0000 -125.26677 -122.29272 2.97405 1.86511 -122.18662 426.89115
7405.0000 -125.19515 -122.64752 2.54763 1.86995 -122.12085 395.53998
7410.0000 -124.81775 -122.18098 2.63678 1.83455 -122.60133 368.69676
7415.0000 -125.07594 -123.09727 1.97867 1.82775 -122.69368 369.72481
7420.0000 -125.38182 -123.07825 2.30357 1.80907 -122.94708 360.24717
7425.0000 -125.24813 -122.64159 2.60654 1.82190 -122.77305 367.40523
7430.0000 -125.55502 -123.07365 2.48137 1.80083 -123.05899 354.46653
7435.0000 -124.87052 -122.22392 2.64661 1.83598 -122.58193 386.35463
7440.0000 -124.13212 -122.21540 1.91672 1.86318 -122.21269 412.74633
7445.0000 -124.76446 -122.42261 2.34186 1.85532 -122.31943 385.71595
7450.0000 -125.19160 -122.65644 2.53516 1.82765 -122.69492 366.33180
7455.0000 -125.07408 -122.62824 2.44584 1.82980 -122.66584 371.18219
7460.0000 -124.96155 -122.80500 2.15655 1.81769 -122.83009 369.07747
7465.0000 -124.84467 -122.63109 2.21358 1.82519 -122.72841 382.65237
7470.0000 -125.34173 -122.81997 2.52176 1.83473 -122.59888 390.75044
7475.0000 -125.37033 -123.21956 2.15077 1.79092 -123.19348 348.02837
7480.0000 -125.38207 -122.90451 2.47756 1.80672 -122.97906 373.81077
7485.0000 -125.13700 -122.18853 2.94847 1.81569 -122.85731 387.58086
7490.0000 -125.76721 -123.34452 2.42269 1.80580 -122.99152 375.62140
7495.0000 -125.90581 -123.65080 2.25501 1.78239 -123.30927 357.61806
7500.0000 -125.27528 -123.47566 1.79962 1.76779 -123.50734 339.40487
FREEZING PROCESS: loop number 31 T-loop= 347.00000000000000
main_MD> interactions number 31 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16549 0.49819 2.32364
force_rgl> df(natom) 1.20308 0.78328 -0.91491
7505.0000 -125.68870 -123.07960 2.60910 1.76734 -123.51346 342.60081
7510.0000 -125.69557 -123.28164 2.41393 1.77911 -123.35372 350.33885
7515.0000 -125.54292 -123.48372 2.05920 1.79884 -123.08605 364.56828
7520.0000 -125.84966 -123.85511 1.99455 1.76927 -123.48726 326.21982
7525.0000 -125.71467 -123.56844 2.14623 1.76675 -123.52153 338.46705
7530.0000 -125.53461 -123.24060 2.29401 1.77991 -123.34294 353.33892
7535.0000 -125.84817 -123.39921 2.44896 1.78831 -123.22886 359.64169
7540.0000 -125.63860 -123.42564 2.21296 1.76794 -123.50538 347.32609
7545.0000 -125.49406 -122.97271 2.52135 1.79906 -123.08298 369.93526
7550.0000 -125.81715 -123.48238 2.33477 1.79447 -123.14523 368.70515
7555.0000 -126.06700 -123.99316 2.07383 1.73223 -123.99003 304.46162
7560.0000 -125.74438 -123.25917 2.48521 1.76102 -123.59925 336.60134
7565.0000 -125.61925 -123.90981 1.70944 1.78452 -123.28037 357.53588
7570.0000 -125.46833 -122.94408 2.52425 1.76352 -123.56533 334.88770
7575.0000 -125.57777 -123.04484 2.53292 1.79083 -123.19465 361.77581
7580.0000 -125.49230 -123.75115 1.74115 1.77090 -123.46523 345.39885
7585.0000 -125.99057 -123.90349 2.08708 1.74054 -123.87717 311.51842
7590.0000 -125.97452 -123.97816 1.99636 1.73591 -123.94011 306.05720
7595.0000 -125.64052 -123.45748 2.18304 1.76030 -123.60902 330.56721
7600.0000 -125.61318 -123.49507 2.11810 1.76466 -123.54988 332.54887
7605.0000 -125.95642 -123.65991 2.29650 1.77143 -123.45800 344.23627
7610.0000 -125.84989 -124.15836 1.69153 1.76119 -123.59693 334.84726
7615.0000 -125.79200 -123.61956 2.17244 1.75071 -123.73920 321.88646
7620.0000 -125.38336 -123.61478 1.76859 1.76555 -123.53784 339.82771
7625.0000 -125.88288 -123.65417 2.22871 1.76126 -123.59606 332.84486
7630.0000 -124.83753 -122.78495 2.05258 1.79682 -123.11347 369.53655
7635.0000 -125.84923 -123.65583 2.19340 1.79190 -123.18014 365.41285
7640.0000 -125.47791 -123.17222 2.30569 1.78007 -123.34071 354.11300
7645.0000 -125.68068 -123.46119 2.21949 1.77133 -123.45936 341.73720
7650.0000 -125.57123 -123.39250 2.17872 1.77944 -123.34927 358.56736
7655.0000 -125.41158 -123.50557 1.90601 1.79409 -123.15046 366.98629
7660.0000 -125.73473 -123.30727 2.42746 1.78178 -123.31746 355.85784
7665.0000 -125.50923 -122.98296 2.52627 1.79096 -123.19291 359.27905
7670.0000 -125.67887 -123.51879 2.16008 1.78145 -123.32196 358.89103
7675.0000 -125.76038 -123.48954 2.27084 1.76452 -123.55180 336.94982
7680.0000 -125.70480 -123.64147 2.06333 1.77038 -123.47219 339.39979
7685.0000 -125.66271 -123.44492 2.21778 1.76329 -123.56847 330.76906
7690.0000 -125.28470 -123.01214 2.27255 1.77797 -123.36929 350.53949
7695.0000 -125.76719 -123.51085 2.25634 1.77874 -123.35881 354.41522
7700.0000 -125.38689 -123.05334 2.33354 1.79167 -123.18327 356.62722
7705.0000 -125.77626 -123.93347 1.84280 1.76531 -123.54102 339.02581
7710.0000 -126.03113 -123.83746 2.19367 1.73793 -123.91260 303.01298
7715.0000 -125.87321 -123.56012 2.31309 1.77196 -123.45075 344.85999
7720.0000 -125.67983 -123.26659 2.41323 1.77695 -123.38311 357.24032
7725.0000 -125.66320 -123.19531 2.46789 1.77974 -123.34521 351.19362
7730.0000 -125.91610 -123.89808 2.01802 1.77090 -123.46521 339.80266
7735.0000 -125.99121 -123.44017 2.55103 1.76282 -123.57478 338.85480
7740.0000 -125.56946 -123.11182 2.45765 1.79699 -123.11104 369.06411
7745.0000 -125.26426 -122.86037 2.40389 1.81667 -122.84399 385.04335
7750.0000 -125.27545 -122.62185 2.65361 1.82169 -122.77587 391.78621
FREEZING PROCESS: loop number 32 T-loop= 322.00000000000000
main_MD> interactions number 32 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.85926 -1.14926 -0.73567
force_rgl> df(natom) -2.19691 0.16343 0.13109
7755.0000 -125.60987 -123.35565 2.25422 1.80395 -123.01660 373.50354
7760.0000 -125.65603 -123.30192 2.35411 1.77679 -123.38520 350.30845
7765.0000 -125.79416 -123.78685 2.00731 1.76251 -123.57907 332.34237
7770.0000 -125.86549 -123.52146 2.34403 1.75187 -123.72349 330.29463
7775.0000 -125.98660 -123.72845 2.25815 1.74268 -123.84825 317.49362
7780.0000 -126.01761 -124.16521 1.85240 1.74609 -123.80196 321.84071
7785.0000 -125.53898 -123.79800 1.74097 1.73236 -123.98832 304.44748
7790.0000 -125.88891 -124.35575 1.53315 1.70846 -124.31259 285.32993
7795.0000 -125.60041 -123.44537 2.15504 1.74590 -123.80447 317.90697
7800.0000 -125.05833 -122.99893 2.05941 1.79772 -123.10112 368.96037
7805.0000 -125.94022 -123.67236 2.26786 1.79439 -123.14639 368.03656
7810.0000 -125.82721 -123.97082 1.85639 1.74882 -123.76489 322.95108
7815.0000 -125.94475 -123.55160 2.39315 1.74382 -123.83270 315.72817
7820.0000 -126.05910 -124.22147 1.83763 1.74792 -123.77701 317.16625
7825.0000 -125.62148 -123.57284 2.04864 1.73843 -123.90583 311.62400
7830.0000 -125.94977 -123.74143 2.20833 1.76897 -123.49134 342.50679
7835.0000 -126.09235 -123.95691 2.13544 1.74642 -123.79742 320.17579
7840.0000 -125.62054 -123.70465 1.91589 1.74186 -123.85935 316.77089
7845.0000 -126.11614 -123.90365 2.21250 1.73755 -123.91789 313.42134
7850.0000 -126.19395 -124.20214 1.99181 1.72345 -124.10920 293.33864
7855.0000 -126.21238 -123.99838 2.21400 1.74895 -123.76307 325.00287
7860.0000 -126.17725 -124.66220 1.51506 1.70944 -124.29928 282.00916
7865.0000 -126.06387 -124.03304 2.03082 1.70878 -124.30829 283.01523
7870.0000 -125.54127 -123.37833 2.16293 1.76010 -123.61178 328.00455
7875.0000 -126.01521 -123.83760 2.17761 1.74785 -123.77798 319.54016
7880.0000 -125.98630 -123.61999 2.36631 1.75845 -123.63413 327.58051
7885.0000 -126.09102 -124.17849 1.91253 1.72562 -124.07975 303.29322
7890.0000 -125.83619 -124.05304 1.78315 1.74003 -123.88410 319.85131
7895.0000 -125.84670 -123.81927 2.02742 1.75013 -123.74708 325.81921
7900.0000 -126.00854 -124.07223 1.93631 1.72989 -124.02177 304.70444
7905.0000 -125.55866 -123.34311 2.21555 1.74356 -123.83629 319.30482
7910.0000 -126.17446 -123.96637 2.20809 1.75374 -123.69806 325.53455
7915.0000 -125.95690 -124.28111 1.67579 1.74744 -123.78357 321.39518
7920.0000 -126.02934 -124.24884 1.78050 1.70874 -124.30883 282.29689
7925.0000 -125.52217 -123.10562 2.41654 1.75041 -123.74325 327.23091
7930.0000 -125.96131 -123.81652 2.14479 1.77951 -123.34837 351.17909
7935.0000 -125.86136 -123.78186 2.07950 1.76619 -123.52914 334.51858
7940.0000 -126.08550 -124.03128 2.05422 1.74204 -123.85692 313.64429
7945.0000 -125.63563 -123.69394 1.94169 1.75121 -123.73248 321.10151
7950.0000 -125.71078 -123.83220 1.87858 1.73925 -123.89472 312.72085
7955.0000 -125.76108 -123.86389 1.89719 1.75359 -123.70016 327.94099
7960.0000 -126.28304 -124.38677 1.89628 1.74153 -123.86384 316.99873
7965.0000 -125.82674 -124.01341 1.81333 1.71467 -124.22831 292.47462
7970.0000 -125.84260 -123.45987 2.38272 1.71869 -124.17377 291.64206
7975.0000 -126.20710 -123.68500 2.52210 1.76098 -123.59982 335.81349
7980.0000 -125.73210 -123.96629 1.76581 1.74002 -123.88433 313.36272
7985.0000 -125.96679 -124.02858 1.93822 1.72482 -124.09058 295.92772
7990.0000 -126.03767 -124.01393 2.02374 1.75933 -123.62223 331.54290
7995.0000 -125.93364 -124.12368 1.80997 1.71731 -124.19253 291.11904
8000.0000 -125.79222 -123.82714 1.96508 1.71840 -124.17769 292.26783
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 44.0264736 [s].
main_MD> Deallocating global variables
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