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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_98/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_98.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 = 98 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 98 9800
main_MD> Size of nv and nvoiz: 98 9800
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 = 98
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> 7.0431991619708215E-002 -2.1227381689508360E-002 -8.2268408117035632E-002 initial drift of cluster / NP1 for coalescence
init> 0.34201551471805808 0.35266730562735238 0.34427966164127333 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7715528098190084E-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) 3.45547 0.24718 -2.41073
force_rgl> df(natom) -3.18021 -0.55319 2.01208
preparo> THERMALIZATION PROCESS AT 1232.4777572450182
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -216.43148998076819 15.257922538780122 -231.68941251954831 7.1826918867476440E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1209.0000000000000
main_MD> interactions number 1 at Temperature= 1209.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.45759 1.31398 -0.56849
force_rgl> df(natom) 5.18548 4.64095 1.55429
5.0000 -229.93427 -215.24911 14.68516 3.44792 -215.81051 1228.74297
10.0000 -229.75711 -213.33450 16.42261 3.54320 -213.78523 1299.07996
15.0000 -232.10808 -215.36554 16.74254 3.48440 -215.03517 1274.18668
20.0000 -229.77282 -214.46479 15.30803 3.53180 -214.02771 1293.41968
25.0000 -229.37976 -214.88232 14.49744 3.49474 -214.81539 1285.15531
30.0000 -233.16005 -217.02433 16.13573 3.44363 -215.90183 1240.73601
35.0000 -233.58278 -219.99461 13.58818 3.26848 -219.62475 1159.80848
40.0000 -236.03839 -221.63241 14.40598 3.25078 -220.00095 1138.00162
45.0000 -231.94559 -218.40440 13.54119 3.20868 -220.89583 1138.84439
50.0000 -231.53013 -216.43531 15.09482 3.40757 -216.66825 1244.73409
55.0000 -231.90988 -217.85434 14.05555 3.33280 -218.25767 1201.52977
60.0000 -231.38615 -216.03555 15.35060 3.42833 -216.22697 1235.89102
65.0000 -227.91725 -213.78404 14.13321 3.50864 -214.51982 1276.38098
70.0000 -231.00190 -216.17751 14.82439 3.43061 -216.17860 1195.02392
75.0000 -231.46821 -217.44780 14.02041 3.40377 -216.74901 1215.74027
80.0000 -231.00967 -215.37564 15.63403 3.44528 -215.86677 1260.09962
85.0000 -232.85872 -215.64268 17.21605 3.37288 -217.40555 1223.55656
90.0000 -232.76485 -216.94167 15.82318 3.43732 -216.03595 1268.96032
95.0000 -232.74032 -217.90195 14.83837 3.35003 -217.89134 1215.47578
100.0000 -232.44485 -219.21009 13.23476 3.40238 -216.77855 1217.46372
105.0000 -233.20767 -217.35985 15.84781 3.33249 -218.26414 1174.36302
110.0000 -230.36989 -214.87019 15.49970 3.41171 -216.58024 1218.35354
115.0000 -231.79942 -215.88933 15.91009 3.46931 -215.35587 1255.46976
120.0000 -229.65808 -214.96605 14.69202 3.49743 -214.75816 1270.72598
125.0000 -231.29873 -216.51491 14.78382 3.44318 -215.91124 1233.64275
130.0000 -231.54752 -218.12315 13.42437 3.29872 -218.98199 1170.82127
135.0000 -232.70004 -216.92675 15.77329 3.40119 -216.80381 1233.84052
140.0000 -234.79280 -219.71999 15.07280 3.35385 -217.81016 1212.07678
145.0000 -232.05344 -217.81436 14.23908 3.27829 -219.41618 1159.84439
150.0000 -232.67594 -217.03922 15.63672 3.34010 -218.10249 1218.65546
155.0000 -231.41483 -218.64063 12.77420 3.31813 -218.56946 1200.60496
160.0000 -234.58638 -218.83937 15.74701 3.35441 -217.79832 1183.42648
165.0000 -233.09299 -218.37809 14.71490 3.34472 -218.00422 1207.10443
170.0000 -232.05215 -217.52819 14.52396 3.33225 -218.26920 1194.38924
175.0000 -231.82177 -213.77670 18.04507 3.50784 -214.53687 1332.09190
180.0000 -232.38090 -217.42298 14.95792 3.45664 -215.62524 1250.67841
185.0000 -230.47703 -216.39232 14.08471 3.37535 -217.35316 1231.36019
190.0000 -235.17314 -218.17274 17.00040 3.35039 -217.88371 1230.82230
195.0000 -234.36605 -219.14008 15.22597 3.34899 -217.91337 1191.22305
200.0000 -230.96080 -215.34826 15.61254 3.40930 -216.63158 1209.71739
205.0000 -231.60759 -215.63891 15.96868 3.44636 -215.84385 1271.50583
210.0000 -232.41095 -217.34506 15.06589 3.40254 -216.77519 1250.79130
215.0000 -232.39714 -217.34313 15.05401 3.41076 -216.60041 1262.80297
220.0000 -231.88284 -217.52682 14.35602 3.38538 -217.13994 1226.52902
225.0000 -233.65707 -218.33037 15.32670 3.36207 -217.63539 1202.00083
230.0000 -232.81783 -217.87369 14.94414 3.33424 -218.22695 1197.85411
235.0000 -229.82171 -215.76151 14.06019 3.34863 -217.92114 1196.59546
240.0000 -232.08990 -215.76849 16.32141 3.43411 -216.10418 1251.11059
245.0000 -233.72903 -218.95454 14.77449 3.38556 -217.13607 1210.48011
250.0000 -234.48629 -219.35254 15.13374 3.33453 -218.22078 1168.40356
FREEZING PROCESS: loop number 2 T-loop= 1184.0000000000000
main_MD> interactions number 2 at Temperature= 1184.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.16020 -1.53381 -1.91279
force_rgl> df(natom) -3.03772 -0.40802 0.59134
255.0000 -235.43003 -220.23462 15.19541 3.27710 -219.44153 1150.30872
260.0000 -233.57232 -218.46203 15.11029 3.30151 -218.92280 1188.02740
265.0000 -233.76900 -215.36689 18.40211 3.33222 -218.26997 1198.88632
270.0000 -231.40925 -214.25219 17.15706 3.51907 -214.29816 1311.30115
275.0000 -234.42547 -219.28479 15.14068 3.39746 -216.88316 1223.37802
280.0000 -235.24639 -218.36965 16.87674 3.27501 -219.48597 1181.05658
285.0000 -232.63690 -216.99635 15.64055 3.36671 -217.53678 1226.49384
290.0000 -231.70764 -216.73209 14.97555 3.38611 -217.12437 1204.50593
295.0000 -232.21542 -216.67513 15.54029 3.42575 -216.28191 1255.87081
300.0000 -234.56493 -220.08305 14.48188 3.31902 -218.55044 1186.21450
305.0000 -235.36826 -220.13844 15.22982 3.26508 -219.69696 1149.95137
310.0000 -235.47073 -220.47135 14.99938 3.24804 -220.05931 1140.49402
315.0000 -237.33271 -222.42226 14.91045 3.25694 -219.87010 1177.36926
320.0000 -234.68461 -221.20690 13.47771 3.13816 -222.39489 1082.54833
325.0000 -235.08563 -221.20870 13.87693 3.18814 -221.33256 1079.92186
330.0000 -235.94694 -221.87567 14.07127 3.21918 -220.67277 1109.25182
335.0000 -233.53274 -220.28342 13.24932 3.25818 -219.84377 1141.29411
340.0000 -232.07965 -219.24712 12.83253 3.32023 -218.52487 1175.82730
345.0000 -234.10046 -220.27549 13.82497 3.28731 -219.22458 1186.07689
350.0000 -234.81849 -218.96832 15.85017 3.28128 -219.35264 1143.66201
355.0000 -233.63980 -219.68273 13.95707 3.31594 -218.61600 1182.87830
360.0000 -233.41056 -217.21246 16.19811 3.32263 -218.47382 1204.04469
365.0000 -235.88964 -219.78108 16.10856 3.30957 -218.75129 1188.25008
370.0000 -233.10735 -217.96841 15.13894 3.27463 -219.49412 1178.36307
375.0000 -236.21510 -221.15324 15.06186 3.28019 -219.37598 1171.63630
380.0000 -235.02052 -220.91726 14.10326 3.19091 -221.27353 1117.03151
385.0000 -231.96309 -218.14557 13.81751 3.29197 -219.12550 1164.34324
390.0000 -234.90231 -220.38698 14.51534 3.28802 -219.20940 1160.34792
395.0000 -233.28042 -216.38976 16.89067 3.33098 -218.29633 1202.32395
400.0000 -231.56636 -216.11177 15.45459 3.40017 -216.82559 1231.50475
405.0000 -231.22903 -215.78065 15.44838 3.45519 -215.65605 1256.33413
410.0000 -231.38214 -214.51896 16.86319 3.45863 -215.58293 1262.93279
415.0000 -232.23059 -216.96441 15.26619 3.48732 -214.97304 1298.29773
420.0000 -234.22909 -221.26621 12.96288 3.23582 -220.31906 1134.21562
425.0000 -236.50917 -222.14083 14.36834 3.18202 -221.46269 1134.46728
430.0000 -234.85644 -220.74553 14.11091 3.15244 -222.09132 1087.50189
435.0000 -233.56786 -219.44782 14.12004 3.21758 -220.70665 1126.08665
440.0000 -234.72178 -219.83927 14.88251 3.28656 -219.24058 1172.65106
445.0000 -233.68742 -217.60438 16.08304 3.30035 -218.94728 1188.16882
450.0000 -234.18498 -218.11068 16.07430 3.40217 -216.78310 1236.36902
455.0000 -233.13032 -217.20345 15.92687 3.35663 -217.75104 1191.35819
460.0000 -231.50426 -217.40349 14.10077 3.33093 -218.29738 1201.84017
465.0000 -235.37324 -219.79569 15.57754 3.26050 -219.79449 1152.32285
470.0000 -231.89640 -218.10075 13.79565 3.26549 -219.68843 1142.30929
475.0000 -231.15264 -216.97821 14.17444 3.33633 -218.18265 1175.98249
480.0000 -232.09116 -218.53631 13.55485 3.33837 -218.13917 1147.13665
485.0000 -234.47375 -216.98352 17.49022 3.33498 -218.21119 1206.06450
490.0000 -233.03719 -216.61771 16.41948 3.39570 -216.92057 1261.86384
495.0000 -229.72062 -212.68345 17.03717 3.46399 -215.46907 1261.33926
500.0000 -233.39619 -217.43542 15.96077 3.45085 -215.74833 1261.63864
FREEZING PROCESS: loop number 3 T-loop= 1159.0000000000000
main_MD> interactions number 3 at Temperature= 1159.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.26169 -2.45891 0.39062
force_rgl> df(natom) 6.12590 1.31853 1.70293
505.0000 -232.38077 -217.66654 14.71422 3.29388 -219.08499 1166.23563
510.0000 -232.93565 -219.80089 13.13476 3.24293 -220.16782 1137.58090
515.0000 -236.00932 -221.64856 14.36076 3.22286 -220.59441 1110.45713
520.0000 -235.85836 -221.00223 14.85614 3.28281 -219.32016 1155.43361
525.0000 -234.27556 -218.02930 16.24626 3.27340 -219.52029 1158.77461
530.0000 -234.57556 -219.33568 15.23989 3.27994 -219.38114 1142.94310
535.0000 -234.31205 -221.99371 12.31834 3.24211 -220.18541 1140.70547
540.0000 -236.33880 -221.61119 14.72761 3.20286 -221.01967 1130.03077
545.0000 -235.19081 -220.51862 14.67218 3.18015 -221.50242 1103.50879
550.0000 -232.81681 -218.67427 14.14254 3.31402 -218.65672 1161.44380
555.0000 -232.98471 -218.07207 14.91264 3.33061 -218.30419 1193.42537
560.0000 -232.80226 -218.22463 14.57763 3.31383 -218.66082 1161.53860
565.0000 -235.36368 -219.76276 15.60091 3.27478 -219.49089 1135.60367
570.0000 -232.64855 -216.58407 16.06448 3.31693 -218.59496 1164.57265
575.0000 -235.77428 -220.56221 15.21206 3.26987 -219.59522 1141.99407
580.0000 -236.10176 -221.68882 14.41293 3.19503 -221.18608 1086.18365
585.0000 -233.88824 -220.69977 13.18847 3.17648 -221.58045 1086.97626
590.0000 -235.35953 -220.79457 14.56497 3.21028 -220.86193 1118.42890
595.0000 -235.09117 -221.91358 13.17759 3.15159 -222.10933 1094.38209
600.0000 -236.33586 -220.91125 15.42460 3.15705 -221.99344 1072.09768
605.0000 -234.24260 -218.96235 15.28025 3.22894 -220.46525 1147.57775
610.0000 -234.34848 -217.12978 17.21871 3.33691 -218.17026 1183.15341
615.0000 -234.47714 -218.08429 16.39285 3.34461 -218.00654 1198.90782
620.0000 -233.89736 -221.08328 12.81408 3.25368 -219.93934 1125.44881
625.0000 -233.11504 -218.66450 14.45054 3.28290 -219.31828 1176.78350
630.0000 -233.44317 -220.48569 12.95748 3.28626 -219.24693 1163.03059
635.0000 -232.59456 -216.66776 15.92681 3.26640 -219.66894 1160.66232
640.0000 -234.82195 -219.18526 15.63669 3.37617 -217.33570 1225.60646
645.0000 -234.63544 -219.89069 14.74475 3.28521 -219.26923 1166.73860
650.0000 -235.22370 -222.61565 12.60805 3.15694 -221.99559 1072.26574
655.0000 -237.14303 -222.88091 14.26211 3.10923 -223.00988 1041.95244
660.0000 -234.06988 -218.75717 15.31271 3.25824 -219.84251 1169.50194
665.0000 -231.73047 -217.26509 14.46538 3.37521 -217.35619 1210.53081
670.0000 -233.17351 -217.28055 15.89296 3.42371 -216.32509 1228.60296
675.0000 -231.07331 -217.45942 13.61389 3.34211 -218.05966 1183.93701
680.0000 -236.31699 -219.55434 16.76265 3.28967 -219.17442 1169.31507
685.0000 -232.50326 -217.19972 15.30354 3.29266 -219.11086 1160.99736
690.0000 -233.21916 -219.43749 13.78168 3.31526 -218.63049 1171.09744
695.0000 -236.68544 -222.81642 13.86902 3.22397 -220.57091 1104.90058
700.0000 -236.66546 -221.49847 15.16699 3.17066 -221.70411 1104.39184
705.0000 -237.24446 -221.25708 15.98738 3.15541 -222.02812 1108.89003
710.0000 -236.35017 -222.90352 13.44665 3.10973 -222.99917 1083.06510
715.0000 -235.62813 -221.80973 13.81839 3.07302 -223.77944 1046.21305
720.0000 -237.15797 -222.21130 14.94667 3.11236 -222.94321 1070.32014
725.0000 -237.79512 -223.96059 13.83453 3.11333 -222.92259 1056.16007
730.0000 -235.88539 -222.84109 13.04429 3.09052 -223.40749 1022.92152
735.0000 -232.28190 -217.35100 14.93090 3.25577 -219.89506 1143.22624
740.0000 -231.56743 -215.52325 16.04418 3.39417 -216.95308 1204.92509
745.0000 -233.65359 -217.23056 16.42303 3.42401 -216.31885 1234.09647
750.0000 -232.45391 -218.30157 14.15235 3.31754 -218.58200 1181.56118
FREEZING PROCESS: loop number 4 T-loop= 1134.0000000000000
main_MD> interactions number 4 at Temperature= 1134.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10264 0.06319 -1.74279
force_rgl> df(natom) 2.64232 -0.82156 -2.41651
755.0000 -232.40566 -218.66026 13.74541 3.33004 -218.31623 1174.11883
760.0000 -237.00267 -222.26250 14.74017 3.21813 -220.69501 1108.01924
765.0000 -236.07058 -221.24378 14.82680 3.18876 -221.31933 1103.81953
770.0000 -232.91673 -218.58791 14.32882 3.27702 -219.44327 1134.22777
775.0000 -232.68328 -219.51666 13.16662 3.34706 -217.95445 1156.59589
780.0000 -235.74554 -223.33400 12.41154 3.15942 -221.94300 1065.82969
785.0000 -234.76474 -218.76736 15.99738 3.20210 -221.03567 1094.89756
790.0000 -234.75112 -220.80862 13.94250 3.30167 -218.91938 1175.36243
795.0000 -235.50803 -220.13854 15.36948 3.20336 -221.00894 1085.57913
800.0000 -236.01763 -221.84799 14.16964 3.18959 -221.30171 1099.49005
805.0000 -235.14248 -222.56142 12.58106 3.16275 -221.87219 1093.84333
810.0000 -237.46567 -224.92317 12.54250 3.03305 -224.62918 1010.13890
815.0000 -235.49914 -220.44847 15.05067 3.12479 -222.67918 1067.08884
820.0000 -233.76298 -219.63525 14.12773 3.25620 -219.88588 1133.78027
825.0000 -234.93247 -218.16923 16.76324 3.31907 -218.54937 1206.96789
830.0000 -233.50565 -217.71507 15.79058 3.34476 -218.00345 1207.09144
835.0000 -232.08359 -217.41625 14.66734 3.31424 -218.65213 1171.83794
840.0000 -234.09449 -219.85930 14.23519 3.29009 -219.16534 1176.79003
845.0000 -233.49377 -221.33603 12.15774 3.24751 -220.07043 1123.91565
850.0000 -235.72891 -220.37530 15.35361 3.18547 -221.38925 1053.33736
855.0000 -230.21068 -214.52811 15.68257 3.35373 -217.81275 1181.82676
860.0000 -233.58343 -216.85995 16.72347 3.43428 -216.10053 1247.89692
865.0000 -234.02937 -220.26391 13.76546 3.33360 -218.24049 1205.68919
870.0000 -234.02724 -220.34710 13.68013 3.26945 -219.60417 1165.74840
875.0000 -234.81377 -219.74520 15.06856 3.20204 -221.03699 1121.78930
880.0000 -233.59137 -219.91719 13.67418 3.24912 -220.03630 1148.09717
885.0000 -233.60570 -218.98359 14.62212 3.27457 -219.49544 1146.43185
890.0000 -234.65970 -217.79523 16.86446 3.28113 -219.35581 1176.14333
895.0000 -235.87868 -222.03846 13.84022 3.30364 -218.87735 1164.90189
900.0000 -235.00386 -220.68034 14.32353 3.20091 -221.06097 1103.09034
905.0000 -235.02136 -221.74353 13.27783 3.18631 -221.37137 1118.86947
910.0000 -236.40588 -222.34277 14.06311 3.18281 -221.44580 1091.47859
915.0000 -236.68254 -223.45149 13.23104 3.11054 -222.98206 1076.84453
920.0000 -234.84082 -222.81713 12.02368 3.08521 -223.52046 1049.36364
925.0000 -234.65211 -221.83438 12.81774 3.17961 -221.51381 1086.72685
930.0000 -237.32309 -220.91659 16.40650 3.15672 -222.00035 1097.21262
935.0000 -235.17761 -219.79781 15.37979 3.21320 -220.79975 1117.37813
940.0000 -237.54648 -223.18940 14.35708 3.20315 -221.01344 1123.72163
945.0000 -232.46946 -217.75795 14.71151 3.24694 -220.08255 1136.06284
950.0000 -232.78333 -216.11165 16.67168 3.39754 -216.88156 1228.02067
955.0000 -235.12485 -220.83862 14.28623 3.31325 -218.67325 1172.81406
960.0000 -235.55285 -221.90240 13.65045 3.17618 -221.58663 1109.64878
965.0000 -236.66236 -223.60118 13.06118 3.13758 -222.40720 1068.74428
970.0000 -236.56750 -222.49287 14.07462 3.07521 -223.73296 1029.08818
975.0000 -234.77719 -220.03628 14.74091 3.20360 -221.00391 1079.21923
980.0000 -234.71598 -219.43164 15.28433 3.25309 -219.95189 1111.46244
985.0000 -233.52461 -219.18675 14.33786 3.31157 -218.70891 1165.15388
990.0000 -234.02232 -220.23052 13.79181 3.22853 -220.47405 1118.91973
995.0000 -236.43757 -222.04246 14.39511 3.23427 -220.35186 1098.99522
1000.0000 -234.24634 -220.90825 13.33810 3.15484 -222.04038 1076.07807
FREEZING PROCESS: loop number 5 T-loop= 1109.0000000000000
main_MD> interactions number 5 at Temperature= 1109.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84853 -1.17312 4.36375
force_rgl> df(natom) -0.22141 0.09508 -2.13608
1005.0000 -234.64602 -219.39799 15.24804 3.23470 -220.34275 1148.46622
1010.0000 -234.57457 -220.75662 13.81795 3.27456 -219.49553 1187.57160
1015.0000 -234.66423 -220.82342 13.84081 3.20020 -221.07614 1110.84841
1020.0000 -237.43633 -221.81981 15.61653 3.19396 -221.20889 1122.68535
1025.0000 -234.99808 -220.79798 14.20009 3.12675 -222.63748 1058.61363
1030.0000 -232.56477 -218.29171 14.27306 3.27191 -219.55197 1125.61948
1035.0000 -234.58773 -221.80544 12.78229 3.25976 -219.81018 1140.14737
1040.0000 -237.46911 -221.39341 16.07571 3.18427 -221.41473 1103.27863
1045.0000 -235.72855 -221.09113 14.63742 3.16228 -221.88229 1091.02387
1050.0000 -234.67494 -222.80451 11.87042 3.21367 -220.78984 1107.29791
1055.0000 -236.10822 -222.77708 13.33114 3.15861 -221.96009 1082.02338
1060.0000 -234.65152 -219.95465 14.69687 3.13881 -222.38102 1074.58965
1065.0000 -232.45387 -220.62074 11.83313 3.28851 -219.19909 1151.82090
1070.0000 -233.45175 -220.60571 12.84604 3.19267 -221.23630 1098.10898
1075.0000 -234.76791 -219.01800 15.74992 3.19115 -221.26848 1097.68358
1080.0000 -233.99566 -221.32729 12.66837 3.28190 -219.33953 1141.97882
1085.0000 -235.58164 -221.77366 13.80798 3.16727 -221.77618 1071.29862
1090.0000 -236.43402 -220.33909 16.09493 3.23588 -220.31774 1139.78142
1095.0000 -236.02408 -221.64402 14.38006 3.19320 -221.22505 1121.65170
1100.0000 -236.13229 -222.23603 13.89627 3.18453 -221.40920 1104.81113
1105.0000 -234.23459 -218.40560 15.82899 3.27375 -219.51275 1167.42579
1110.0000 -232.70845 -216.02829 16.68016 3.41975 -216.40942 1240.44063
1115.0000 -232.76076 -217.09275 15.66801 3.42103 -216.38227 1230.18687
1120.0000 -230.84248 -217.30206 13.54042 3.37991 -217.25617 1212.74279
1125.0000 -231.90847 -217.91383 13.99464 3.38098 -217.23355 1253.71491
1130.0000 -236.31977 -220.68705 15.63272 3.31283 -218.68207 1185.66115
1135.0000 -237.72723 -223.13334 14.59389 3.19064 -221.27930 1108.10755
1140.0000 -235.96014 -223.19465 12.76550 3.10188 -223.16600 1044.32708
1145.0000 -237.85600 -222.89266 14.96334 3.14075 -222.33977 1065.04756
1150.0000 -236.75794 -223.85670 12.90124 3.10828 -223.02997 1052.94709
1155.0000 -236.01207 -222.69697 13.31510 3.09912 -223.22481 1038.38689
1160.0000 -233.19418 -218.36521 14.82897 3.18571 -221.38417 1084.04917
1165.0000 -230.76535 -217.37516 13.39019 3.32394 -218.44603 1148.16196
1170.0000 -233.57549 -218.94626 14.62923 3.37803 -217.29616 1194.53402
1175.0000 -232.58847 -218.65797 13.93050 3.32150 -218.49771 1169.55653
1180.0000 -233.52076 -219.17024 14.35053 3.30057 -218.94268 1158.55877
1185.0000 -233.50542 -221.08870 12.41671 3.29560 -219.04827 1144.28224
1190.0000 -233.14700 -218.72670 14.42030 3.26211 -219.76029 1129.46539
1195.0000 -232.19883 -217.92100 14.27783 3.32767 -218.36668 1199.34038
1200.0000 -233.36806 -219.55287 13.81520 3.31419 -218.65325 1169.23303
1205.0000 -235.81665 -221.75651 14.06014 3.25465 -219.91874 1132.52793
1210.0000 -233.33722 -217.80537 15.53185 3.20841 -220.90171 1107.88348
1215.0000 -234.47325 -219.93263 14.54062 3.28284 -219.31962 1183.53527
1220.0000 -231.90331 -218.60937 13.29394 3.27657 -219.45275 1144.24483
1225.0000 -235.60497 -222.07635 13.52862 3.18956 -221.30242 1089.40553
1230.0000 -234.07177 -221.18600 12.88577 3.16556 -221.81238 1069.67112
1235.0000 -234.41498 -222.62540 11.78959 3.15652 -222.00470 1081.78654
1240.0000 -234.31082 -221.36642 12.94440 3.20395 -220.99645 1098.12194
1245.0000 -237.52821 -222.91039 14.61782 3.12751 -222.62120 1060.41193
1250.0000 -235.45752 -221.50519 13.95233 3.15818 -221.96941 1109.86283
FREEZING PROCESS: loop number 6 T-loop= 1084.0000000000000
main_MD> interactions number 6 at Temperature= 1084.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.97829 1.12402 7.28744
force_rgl> df(natom) -2.22615 0.34385 3.23236
1255.0000 -232.96185 -221.07321 11.88864 3.21634 -220.73314 1118.98644
1260.0000 -234.43826 -219.77358 14.66468 3.20724 -220.92649 1123.01702
1265.0000 -235.78652 -220.69414 15.09238 3.21175 -220.83069 1101.90827
1270.0000 -236.81031 -223.46088 13.34944 3.10141 -223.17612 1024.66418
1275.0000 -236.51151 -222.50611 14.00540 3.13743 -222.41047 1092.99447
1280.0000 -238.49862 -226.02614 12.47248 3.00439 -225.23822 993.77003
1285.0000 -240.11482 -227.39740 12.71742 2.92986 -226.82262 949.84365
1290.0000 -234.45839 -221.20458 13.25380 2.99562 -225.42463 971.97600
1295.0000 -235.44632 -219.35077 16.09554 3.25301 -219.95368 1163.76595
1300.0000 -237.82189 -222.17869 15.64321 3.15281 -222.08353 1106.21438
1305.0000 -235.77948 -223.12157 12.65790 3.12652 -222.64235 1040.93143
1310.0000 -233.33431 -218.53356 14.80075 3.17245 -221.66595 1093.31442
1315.0000 -232.43333 -220.32136 12.11197 3.22940 -220.45552 1102.48412
1320.0000 -235.79853 -221.00665 14.79188 3.22533 -220.54189 1112.31827
1325.0000 -235.72732 -222.15193 13.57539 3.19308 -221.22760 1103.63952
1330.0000 -235.97294 -221.98271 13.99022 3.21385 -220.78598 1123.76796
1335.0000 -235.10624 -221.20443 13.90181 3.20828 -220.90436 1124.88242
1340.0000 -236.26644 -223.17983 13.08661 3.14595 -222.22922 1065.67798
1345.0000 -235.76207 -223.21662 12.54546 3.10453 -223.10974 1049.17483
1350.0000 -235.90893 -221.48927 14.41966 3.14270 -222.29834 1095.84281
1355.0000 -235.54900 -222.09798 13.45102 3.19690 -221.14629 1121.17721
1360.0000 -235.49174 -221.36825 14.12349 3.14436 -222.26305 1087.16170
1365.0000 -234.81935 -221.59275 13.22660 3.20306 -221.01529 1088.20047
1370.0000 -236.09832 -223.14029 12.95803 3.15902 -221.95156 1098.25430
1375.0000 -234.60664 -220.15993 14.44671 3.16042 -221.92171 1091.53014
1380.0000 -233.63609 -220.26182 13.37427 3.24839 -220.05191 1154.56209
1385.0000 -234.46051 -222.02412 12.43639 3.19297 -221.22989 1083.78950
1390.0000 -238.58869 -224.23308 14.35561 3.13353 -222.49321 1083.72872
1395.0000 -239.23122 -224.12440 15.10682 3.07070 -223.82890 1041.58301
1400.0000 -236.43251 -221.85898 14.57354 3.14841 -222.17710 1093.71614
1405.0000 -236.41000 -221.34709 15.06291 3.15612 -222.01307 1102.28510
1410.0000 -234.66440 -221.14153 13.52288 3.20670 -220.93792 1111.57882
1415.0000 -235.26545 -221.23260 14.03285 3.20690 -220.93382 1117.86542
1420.0000 -233.82353 -218.51227 15.31126 3.25693 -219.87023 1106.90730
1425.0000 -236.23901 -222.98340 13.25561 3.21219 -220.82137 1139.52697
1430.0000 -236.03694 -222.65012 13.38682 3.12077 -222.76461 1057.01514
1435.0000 -234.67186 -223.17712 11.49474 3.10063 -223.19263 1066.88379
1440.0000 -234.08063 -220.20057 13.88006 3.18867 -221.32131 1097.17626
1445.0000 -234.48465 -221.57668 12.90797 3.21790 -220.69995 1098.78683
1450.0000 -236.73281 -222.81630 13.91651 3.15868 -221.95877 1075.46076
1455.0000 -234.04038 -221.16025 12.88013 3.21710 -220.71693 1132.88682
1460.0000 -233.91333 -220.89894 13.01439 3.18202 -221.46257 1091.07851
1465.0000 -235.29536 -220.98446 14.31090 3.24429 -220.13898 1124.37611
1470.0000 -237.00549 -223.83392 13.17157 3.13253 -222.51457 1079.04136
1475.0000 -235.05538 -222.25692 12.79846 3.12533 -222.66760 1083.64201
1480.0000 -234.94897 -220.63646 14.31251 3.16733 -221.77488 1094.74624
1485.0000 -236.24875 -223.26095 12.98780 3.12168 -222.74524 1073.17543
1490.0000 -235.03341 -221.98392 13.04949 3.14433 -222.26380 1058.86379
1495.0000 -236.47433 -222.32905 14.14528 3.10342 -223.13337 1054.62742
1500.0000 -235.08755 -221.05026 14.03729 3.13806 -222.39709 1091.44756
FREEZING PROCESS: loop number 7 T-loop= 1059.0000000000000
main_MD> interactions number 7 at Temperature= 1059.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.52248 -0.29758 -2.93555
force_rgl> df(natom) -8.01808 -1.44230 -0.85800
1505.0000 -236.66726 -223.22758 13.43968 3.16814 -221.75767 1104.16208
1510.0000 -235.12903 -220.01157 15.11746 3.10076 -223.18993 1056.84166
1515.0000 -237.39291 -223.19925 14.19366 3.18742 -221.34776 1107.36549
1520.0000 -235.65529 -220.45553 15.19976 3.12897 -222.59019 1056.98368
1525.0000 -235.85702 -223.14357 12.71345 3.19883 -221.10526 1096.77088
1530.0000 -235.29242 -221.96151 13.33091 3.15345 -222.06980 1068.78011
1535.0000 -232.46300 -217.54789 14.91511 3.20702 -220.93125 1129.95303
1540.0000 -235.92259 -221.24013 14.68246 3.26987 -219.59525 1157.51738
1545.0000 -236.28507 -223.39034 12.89472 3.05644 -224.13196 1004.81193
1550.0000 -237.49821 -224.01972 13.47848 3.12871 -222.59570 1056.29959
1555.0000 -237.69470 -224.91762 12.77708 3.04288 -224.42022 1023.57569
1560.0000 -236.16956 -223.66424 12.50531 3.04690 -224.33473 1037.56889
1565.0000 -237.97347 -224.14593 13.82754 3.04295 -224.41875 1014.83779
1570.0000 -239.35603 -226.21469 13.14135 2.97642 -225.83295 979.81323
1575.0000 -236.53017 -223.10750 13.42267 3.00719 -225.17870 982.94206
1580.0000 -238.64886 -223.45131 15.19755 3.10409 -223.11911 1044.29404
1585.0000 -236.60660 -221.09190 15.51471 3.18002 -221.50501 1120.31673
1590.0000 -235.54998 -221.76006 13.78992 3.19137 -221.26391 1126.01038
1595.0000 -238.32443 -225.01957 13.30486 3.07310 -223.77776 1046.67828
1600.0000 -237.61321 -224.53090 13.08230 3.03200 -224.65140 996.33998
1605.0000 -237.22547 -225.04503 12.18044 3.05955 -224.06592 1029.44558
1610.0000 -238.70077 -225.53352 13.16726 2.99137 -225.51502 955.36699
1615.0000 -239.17073 -227.46576 11.70497 2.93767 -226.65654 958.07195
1620.0000 -238.38518 -227.72577 10.65941 2.88673 -227.73939 916.49838
1625.0000 -238.46519 -227.19344 11.27175 2.95334 -226.32353 989.84965
1630.0000 -237.41880 -226.37821 11.04059 2.93310 -226.75366 958.80336
1635.0000 -236.99164 -224.02250 12.96914 3.02636 -224.77122 1025.33915
1640.0000 -237.25298 -223.63524 13.61774 3.04798 -224.31167 1024.89350
1645.0000 -235.16604 -222.40158 12.76446 3.05724 -224.11489 1047.14231
1650.0000 -236.20658 -222.25706 13.94952 3.08760 -223.46965 1050.83464
1655.0000 -238.24122 -224.33337 13.90786 3.04045 -224.47185 1026.09697
1660.0000 -238.23950 -226.69451 11.54499 2.95863 -226.21097 978.59696
1665.0000 -239.65129 -226.15565 13.49564 2.98815 -225.58345 992.68300
1670.0000 -233.89871 -219.03486 14.86385 3.12215 -222.73511 1050.88168
1675.0000 -235.55090 -221.60419 13.94672 3.27728 -219.43765 1155.05120
1680.0000 -234.53138 -222.55708 11.97430 3.11135 -222.96482 1055.66361
1685.0000 -233.54545 -221.69907 11.84638 3.15071 -222.12809 1094.45827
1690.0000 -232.87144 -220.51144 12.36000 3.19639 -221.15713 1096.62906
1695.0000 -235.01584 -220.28633 14.72951 3.20751 -220.92080 1101.61501
1700.0000 -237.49219 -225.40296 12.08924 3.11734 -222.83741 1065.00950
1705.0000 -238.69777 -224.96840 13.72937 3.00918 -225.13658 987.92081
1710.0000 -236.45387 -223.71738 12.73649 2.99725 -225.39000 995.40151
1715.0000 -235.47692 -222.27149 13.20542 3.14646 -222.21847 1090.70363
1720.0000 -233.42992 -219.86240 13.56751 3.21265 -220.81144 1125.10666
1725.0000 -234.46859 -222.51899 11.94961 3.21682 -220.72278 1089.74651
1730.0000 -236.76969 -224.64215 12.12754 3.07355 -223.76814 1001.66120
1735.0000 -238.46868 -222.77797 15.69071 3.04017 -224.47783 1013.95966
1740.0000 -236.91764 -222.14711 14.77053 3.14682 -222.21071 1079.58156
1745.0000 -238.01039 -223.17166 14.83874 3.09173 -223.38178 1059.01242
1750.0000 -234.81331 -221.47036 13.34295 3.13212 -222.52320 1064.91075
FREEZING PROCESS: loop number 8 T-loop= 1034.0000000000000
main_MD> interactions number 8 at Temperature= 1034.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.15953 -1.13248 2.86009
force_rgl> df(natom) 4.89981 -13.18486 -2.90238
1755.0000 -236.48582 -221.85297 14.63285 3.13886 -222.37995 1090.82995
1760.0000 -237.14799 -223.12547 14.02252 3.12162 -222.74646 1079.05061
1765.0000 -236.18682 -222.12088 14.06594 3.04448 -224.38621 1024.88124
1770.0000 -238.09301 -223.72509 14.36792 3.12442 -222.68700 1077.69885
1775.0000 -236.25994 -224.29518 11.96476 3.02280 -224.84706 1016.84251
1780.0000 -236.80307 -222.93293 13.87013 3.02749 -224.74735 989.58127
1785.0000 -235.59566 -222.66974 12.92592 3.17173 -221.68128 1092.37950
1790.0000 -237.38774 -223.37147 14.01627 3.08595 -223.50458 1029.69121
1795.0000 -237.39117 -224.03479 13.35638 3.07818 -223.66986 1037.94656
1800.0000 -235.23904 -223.60093 11.63812 3.13908 -222.37541 1063.07130
1805.0000 -235.62064 -221.42577 14.19487 3.07418 -223.75476 1021.89957
1810.0000 -238.97553 -225.47232 13.50321 3.06448 -223.96094 1039.14309
1815.0000 -236.67556 -223.88020 12.79536 3.02941 -224.70649 999.80434
1820.0000 -235.79406 -223.07519 12.71886 3.12002 -222.78046 1061.14243
1825.0000 -236.04847 -223.28167 12.76680 3.11982 -222.78463 1057.92130
1830.0000 -238.33622 -224.83962 13.49660 3.04348 -224.40745 1035.14766
1835.0000 -236.66355 -223.70067 12.96288 3.05543 -224.15348 1038.89241
1840.0000 -240.46736 -226.88251 13.58486 3.02905 -224.71417 1031.68092
1845.0000 -236.67282 -224.55201 12.12081 2.94587 -226.48232 955.79771
1850.0000 -235.15833 -222.30868 12.84965 3.14261 -222.30023 1075.11812
1855.0000 -236.83644 -223.52971 13.30673 3.10591 -223.08045 1045.10952
1860.0000 -237.55389 -225.71350 11.84039 3.00126 -225.30482 984.26960
1865.0000 -237.84318 -224.62928 13.21390 3.00030 -225.32523 1004.03185
1870.0000 -234.87236 -222.64390 12.22845 3.09121 -223.39276 1035.86312
1875.0000 -235.60912 -222.89688 12.71224 3.08919 -223.43590 1043.26577
1880.0000 -237.32334 -222.92797 14.39537 3.07489 -223.73971 1032.24429
1885.0000 -237.49021 -224.84795 12.64227 3.05838 -224.09071 1028.58128
1890.0000 -238.18583 -225.00612 13.17971 3.01410 -225.03197 995.38574
1895.0000 -238.33356 -226.46584 11.86772 2.96869 -225.99708 983.66166
1900.0000 -237.09395 -224.00412 13.08984 2.98587 -225.63207 987.55213
1905.0000 -238.40771 -225.90460 12.50312 3.00882 -225.14415 1020.79253
1910.0000 -234.02964 -221.08773 12.94191 3.06786 -223.88910 1047.31358
1915.0000 -236.85862 -223.67093 13.18769 3.11426 -222.90281 1061.53950
1920.0000 -236.68110 -223.52764 13.15346 3.05331 -224.19850 1029.81054
1925.0000 -235.37246 -222.69506 12.67740 3.04973 -224.27462 1014.73135
1930.0000 -235.70506 -221.40616 14.29890 3.14827 -222.17995 1065.50465
1935.0000 -235.00581 -221.97789 13.02793 3.20894 -220.89041 1135.17619
1940.0000 -235.36274 -221.79620 13.56654 3.13592 -222.44248 1075.52456
1945.0000 -237.60183 -222.37036 15.23147 3.11581 -222.87005 1067.65976
1950.0000 -234.97542 -221.54800 13.42741 3.15527 -222.03109 1086.92898
1955.0000 -236.03783 -223.78500 12.25283 3.14916 -222.16107 1094.59328
1960.0000 -235.32831 -221.42788 13.90042 3.06763 -223.89406 1043.19393
1965.0000 -237.09726 -224.83720 12.26006 3.05636 -224.13358 1016.71632
1970.0000 -237.90520 -226.26116 11.64404 2.99582 -225.42039 982.38454
1975.0000 -232.43999 -218.72707 13.71292 3.13693 -222.42100 1041.88805
1980.0000 -237.98866 -221.09959 16.88907 3.24464 -220.13161 1121.15849
1985.0000 -234.61027 -220.32231 14.28796 3.23885 -220.25457 1141.88652
1990.0000 -233.65554 -220.15780 13.49774 3.24256 -220.17567 1154.71698
1995.0000 -236.51261 -223.70848 12.80413 3.15044 -222.13388 1082.04284
2000.0000 -237.78374 -224.18808 13.59567 3.08106 -223.60859 1043.98131
FREEZING PROCESS: loop number 9 T-loop= 1009.0000000000000
main_MD> interactions number 9 at Temperature= 1009.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.91329 0.67998 -6.00148
force_rgl> df(natom) 3.17578 -0.85243 -1.21351
2005.0000 -236.64544 -223.18203 13.46341 3.12838 -222.60268 1077.99466
2010.0000 -237.09809 -225.95355 11.14454 3.07763 -223.68146 1048.48121
2015.0000 -236.86813 -223.84724 13.02088 3.03720 -224.54087 994.76596
2020.0000 -239.84187 -227.61379 12.22808 2.93184 -226.78046 943.23607
2025.0000 -236.49489 -224.09499 12.39989 2.96562 -226.06251 986.02811
2030.0000 -237.29964 -226.04143 11.25822 3.08902 -223.43935 1051.68988
2035.0000 -239.33005 -226.26737 13.06268 2.95963 -226.18964 983.27512
2040.0000 -237.64893 -226.09028 11.55865 2.95497 -226.28890 943.42129
2045.0000 -238.65843 -225.93219 12.72623 2.94079 -226.59017 951.89584
2050.0000 -239.36933 -226.57433 12.79500 2.93255 -226.76540 942.99012
2055.0000 -237.96691 -226.02643 11.94047 2.95845 -226.21486 955.77730
2060.0000 -236.73895 -223.61057 13.12838 2.97946 -225.76813 982.31006
2065.0000 -235.87222 -223.61533 12.25689 3.05196 -224.22716 1029.47035
2070.0000 -236.57408 -224.59906 11.97502 3.04408 -224.39474 998.48836
2075.0000 -240.45208 -226.93222 13.51986 2.99002 -225.54381 975.59786
2080.0000 -240.45395 -227.40079 13.05315 2.92862 -226.84883 969.19312
2085.0000 -237.98835 -224.27367 13.71468 3.00662 -225.19095 974.39932
2090.0000 -236.78107 -223.99488 12.78619 3.03361 -224.61718 1013.17616
2095.0000 -234.80124 -222.46479 12.33644 3.03220 -224.64711 1007.40547
2100.0000 -235.98819 -222.88756 13.10063 3.18133 -221.47731 1106.27243
2105.0000 -237.57417 -225.24122 12.33295 3.09347 -223.34477 1046.48083
2110.0000 -237.49100 -225.80634 11.68466 3.02709 -224.75575 982.57466
2115.0000 -239.78719 -225.86915 13.91805 2.95961 -226.19017 953.76600
2120.0000 -236.54994 -223.57171 12.97823 3.01574 -224.99703 983.21616
2125.0000 -237.85673 -224.87913 12.97760 2.97354 -225.89403 988.23527
2130.0000 -238.15826 -225.64156 12.51671 3.01185 -225.07974 1000.75911
2135.0000 -237.53660 -224.97118 12.56542 3.00006 -225.33035 994.42880
2140.0000 -235.03637 -222.32532 12.71105 3.06168 -224.02046 995.97261
2145.0000 -234.99018 -221.56941 13.42077 3.14518 -222.24577 1094.03671
2150.0000 -237.09932 -223.68589 13.41343 3.18971 -221.29911 1096.84346
2155.0000 -234.26027 -221.01060 13.24967 3.11796 -222.82417 1049.23005
2160.0000 -238.39492 -227.15739 11.23753 3.05158 -224.23518 1027.35360
2165.0000 -238.31153 -225.00429 13.30724 3.00040 -225.32319 984.25571
2170.0000 -236.63285 -224.23687 12.39598 3.05774 -224.10440 1035.29045
2175.0000 -237.33938 -226.36293 10.97644 3.03480 -224.59195 994.17601
2180.0000 -239.16171 -227.78746 11.37426 3.00345 -225.25830 1000.96118
2185.0000 -235.71814 -222.14674 13.57140 3.05149 -224.23715 1020.65248
2190.0000 -238.46457 -222.52501 15.93955 3.15315 -222.07632 1073.14581
2195.0000 -240.61604 -228.48946 12.12658 2.98806 -225.58542 988.04130
2200.0000 -235.83004 -223.18906 12.64098 2.94479 -226.50519 968.24521
2205.0000 -237.72110 -224.36248 13.35862 3.08917 -223.43632 1062.91776
2210.0000 -235.70610 -223.17452 12.53158 3.06158 -224.02262 1032.60789
2215.0000 -236.70803 -223.30201 13.40602 3.08629 -223.49739 1028.54070
2220.0000 -236.08761 -224.02493 12.06269 3.08594 -223.50484 1047.71784
2225.0000 -237.23236 -224.28248 12.94988 3.04511 -224.37280 1007.90460
2230.0000 -237.54897 -224.67968 12.86929 3.04299 -224.41784 1034.32467
2235.0000 -236.05166 -221.74525 14.30641 3.13911 -222.37466 1080.71216
2240.0000 -237.10650 -224.75355 12.35295 3.08654 -223.49208 1038.46712
2245.0000 -238.54137 -225.96440 12.57698 3.03096 -224.67347 1015.98273
2250.0000 -237.27618 -225.20151 12.07467 2.96310 -226.11607 962.21155
FREEZING PROCESS: loop number 10 T-loop= 984.00000000000000
main_MD> interactions number 10 at Temperature= 984.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.55040 1.15717 -2.06894
force_rgl> df(natom) -0.44636 -3.99593 -0.85591
2255.0000 -237.37319 -224.59848 12.77471 3.04034 -224.47413 1012.16457
2260.0000 -238.28675 -225.86394 12.42281 2.97927 -225.77231 957.01389
2265.0000 -237.78365 -225.02895 12.75470 3.02979 -224.69833 1018.74427
2270.0000 -239.24445 -227.30224 11.94221 3.01947 -224.91777 997.35430
2275.0000 -236.58154 -223.02918 13.55236 3.05514 -224.15947 1020.25056
2280.0000 -237.77111 -222.84268 14.92843 3.12396 -222.69677 1076.39798
2285.0000 -238.14227 -223.78934 14.35294 3.02082 -224.88904 1017.08611
2290.0000 -238.46162 -224.50533 13.95629 3.07764 -223.68131 1034.94186
2295.0000 -238.81847 -224.78758 14.03089 3.07638 -223.70810 1019.64851
2300.0000 -235.57932 -226.15110 9.42822 2.98054 -225.74532 990.80839
2305.0000 -238.50670 -225.46762 13.03908 2.97423 -225.87950 982.72202
2310.0000 -237.80295 -226.45866 11.34429 2.94643 -226.47029 952.45238
2315.0000 -238.82194 -225.11162 13.71032 2.98097 -225.73606 966.96679
2320.0000 -236.56973 -225.26798 11.30174 3.02608 -224.77726 1016.42007
2325.0000 -236.98514 -224.26519 12.71995 3.08718 -223.47847 1062.63046
2330.0000 -239.38809 -226.10912 13.27897 2.98386 -225.67481 958.42825
2335.0000 -238.99443 -227.22423 11.77020 2.91614 -227.11412 929.04298
2340.0000 -238.13873 -226.64310 11.49563 2.92924 -226.83581 971.29715
2345.0000 -236.97061 -224.46726 12.50335 2.95811 -226.22212 961.73787
2350.0000 -236.91823 -224.19023 12.72800 3.05493 -224.16414 1017.78713
2355.0000 -234.74738 -219.80740 14.93998 3.16649 -221.79271 1081.12758
2360.0000 -238.56102 -226.19708 12.36394 3.20151 -221.04826 1109.52666
2365.0000 -235.75182 -224.17794 11.57388 3.02206 -224.86269 984.58847
2370.0000 -235.91041 -224.47628 11.43414 3.06914 -223.86202 1026.92388
2375.0000 -238.88831 -225.59115 13.29716 3.01598 -224.99200 979.16156
2380.0000 -239.73164 -228.80784 10.92380 2.95817 -226.22078 971.62951
2385.0000 -238.74982 -226.11062 12.63919 2.94521 -226.49622 969.18455
2390.0000 -239.07545 -226.97023 12.10522 2.88164 -227.84761 907.82947
2395.0000 -238.18737 -226.35590 11.83147 2.95126 -226.36771 958.66460
2400.0000 -238.08352 -227.10021 10.98331 2.95601 -226.26663 987.68260
2405.0000 -238.62668 -225.97846 12.64821 2.96452 -226.08574 983.02248
2410.0000 -238.17719 -225.16636 13.01083 3.00449 -225.23618 1046.25332
2415.0000 -235.98847 -223.77804 12.21043 3.04442 -224.38735 1009.75827
2420.0000 -237.70674 -225.57123 12.13551 3.04648 -224.34366 1028.50184
2425.0000 -238.34224 -223.85331 14.48893 3.01428 -225.02814 1014.90396
2430.0000 -237.31329 -224.39998 12.91331 3.03841 -224.51522 998.33856
2435.0000 -236.63766 -223.03690 13.60077 3.04520 -224.37088 1015.86600
2440.0000 -238.14823 -226.34199 11.80624 3.02696 -224.75851 1019.05174
2445.0000 -238.91451 -225.91604 12.99847 3.00855 -225.14992 991.91195
2450.0000 -237.32323 -225.96886 11.35437 2.92326 -226.96280 954.07834
2455.0000 -238.15606 -224.84090 13.31516 3.00271 -225.27397 1009.08412
2460.0000 -235.47224 -223.83496 11.63728 3.09348 -223.34455 1063.02133
2465.0000 -239.57116 -225.84967 13.72149 3.00258 -225.27676 985.85592
2470.0000 -238.07428 -223.50661 14.56767 3.00376 -225.25168 972.85426
2475.0000 -236.05777 -222.12115 13.93662 3.09194 -223.37727 1045.58606
2480.0000 -235.32597 -223.24179 12.08418 3.09652 -223.28008 1075.19364
2485.0000 -235.23062 -221.88371 13.34691 3.13282 -222.50834 1071.68834
2490.0000 -236.96529 -222.71173 14.25356 3.09580 -223.29539 1059.91679
2495.0000 -238.73273 -225.77859 12.95414 3.04872 -224.29600 1017.61815
2500.0000 -236.82916 -225.53912 11.29004 2.94741 -226.44958 959.38349
FREEZING PROCESS: loop number 11 T-loop= 959.00000000000000
main_MD> interactions number 11 at Temperature= 959.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.73891 0.49387 -0.28629
force_rgl> df(natom) -0.38305 2.09181 -3.33219
2505.0000 -240.50616 -229.35564 11.15052 2.96105 -226.15962 982.77090
2510.0000 -239.49563 -228.20207 11.29356 2.83284 -228.88480 882.52092
2515.0000 -238.13275 -226.49684 11.63591 2.91408 -227.15787 917.87888
2520.0000 -238.90351 -227.34863 11.55489 2.92729 -226.87708 965.85039
2525.0000 -240.62593 -230.16766 10.45827 2.82265 -229.10141 901.08374
2530.0000 -240.86366 -229.38153 11.48212 2.74760 -230.69668 825.65834
2535.0000 -239.04878 -227.83053 11.21825 2.83908 -228.75209 906.55252
2540.0000 -237.10821 -224.04974 13.05847 2.94572 -226.48538 959.30029
2545.0000 -239.92194 -227.66787 12.25407 2.98882 -225.56924 992.02754
2550.0000 -238.96919 -226.92973 12.03946 2.93555 -226.70160 969.64496
2555.0000 -242.68392 -230.68361 12.00031 2.88047 -227.87238 926.38388
2560.0000 -238.88919 -227.17927 11.70993 2.87158 -228.06136 902.08052
2565.0000 -239.39085 -227.11541 12.27544 2.87625 -227.96198 897.05891
2570.0000 -240.21242 -228.54060 11.67182 2.87121 -228.06917 911.11064
2575.0000 -239.72923 -228.29397 11.43526 2.88239 -227.83155 925.83822
2580.0000 -239.44549 -227.05076 12.39473 2.80726 -229.42844 887.72605
2585.0000 -240.18602 -227.03418 13.15184 2.92463 -226.93368 958.99330
2590.0000 -239.32914 -228.53583 10.79332 2.88362 -227.80548 925.06070
2595.0000 -238.06162 -226.04232 12.01931 2.92717 -226.87974 924.62624
2600.0000 -236.43802 -224.13223 12.30579 3.00583 -225.20775 992.62754
2605.0000 -237.82363 -225.84559 11.97805 3.00786 -225.16451 999.88827
2610.0000 -238.80909 -227.88195 10.92714 2.94953 -226.40440 966.31205
2615.0000 -237.84182 -227.21690 10.62492 2.88310 -227.81641 930.49349
2620.0000 -237.99704 -226.93293 11.06411 2.96621 -226.04991 930.76219
2625.0000 -238.98181 -227.17853 11.80328 2.88052 -227.87142 901.09400
2630.0000 -238.81926 -227.13129 11.68797 2.91328 -227.17497 918.18810
2635.0000 -238.84854 -226.44886 12.39968 2.93106 -226.79699 957.28427
2640.0000 -238.31413 -225.92855 12.38558 2.98110 -225.73331 969.65373
2645.0000 -238.36243 -225.38359 12.97884 2.98212 -225.71171 992.21725
2650.0000 -238.41764 -226.81973 11.59791 2.94046 -226.59731 950.15308
2655.0000 -238.98741 -227.21297 11.77444 2.91390 -227.16185 928.85346
2660.0000 -239.06657 -226.84962 12.21695 2.93497 -226.71395 954.06213
2665.0000 -238.07396 -225.74297 12.33098 2.97940 -225.76943 984.47437
2670.0000 -238.53919 -226.86409 11.67510 2.97137 -225.94023 959.05142
2675.0000 -240.29112 -229.08754 11.20359 2.90547 -227.34099 927.98027
2680.0000 -238.42599 -226.59331 11.83268 2.87304 -228.03033 925.09420
2685.0000 -238.99857 -225.09861 13.89996 2.92476 -226.93088 934.43860
2690.0000 -237.18648 -225.42256 11.76392 3.00181 -225.29323 990.13950
2695.0000 -238.71450 -226.00003 12.71447 3.00203 -225.28859 985.35513
2700.0000 -239.37168 -225.57087 13.80080 2.96320 -226.11378 989.06375
2705.0000 -236.83180 -225.32462 11.50718 2.98729 -225.60170 987.66934
2710.0000 -237.69868 -223.49280 14.20588 3.06207 -224.01220 996.39933
2715.0000 -236.58238 -223.86232 12.72006 2.99460 -225.44633 1024.17030
2720.0000 -238.21949 -224.90532 13.31417 3.02061 -224.89352 989.49151
2725.0000 -239.64612 -227.40394 12.24218 2.97624 -225.83678 983.90975
2730.0000 -236.17066 -226.24511 9.92554 2.93992 -226.60875 959.36819
2735.0000 -237.06807 -223.65325 13.41482 3.02471 -224.80647 998.12278
2740.0000 -237.10573 -223.41937 13.68636 3.10022 -223.20134 1075.55407
2745.0000 -237.70825 -226.13126 11.57698 2.98458 -225.65945 962.93408
2750.0000 -240.85074 -229.31647 11.53426 2.86845 -228.12789 918.92598
FREEZING PROCESS: loop number 12 T-loop= 934.00000000000000
main_MD> interactions number 12 at Temperature= 934.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65774 0.37224 -4.23621
force_rgl> df(natom) -1.10513 -4.13165 0.76764
2755.0000 -240.49637 -228.89638 11.59999 2.82153 -229.12529 873.47482
2760.0000 -239.04553 -228.77715 10.26839 2.89027 -227.66412 929.05281
2765.0000 -241.29811 -229.47689 11.82122 2.86699 -228.15900 915.17774
2770.0000 -238.16463 -227.38324 10.78139 2.85424 -228.42982 917.02149
2775.0000 -237.40038 -226.16824 11.23213 2.94243 -226.55532 975.02487
2780.0000 -238.45315 -227.32692 11.12623 2.96762 -226.01997 964.62831
2785.0000 -240.99262 -228.59633 12.39629 2.85919 -228.32478 912.77816
2790.0000 -241.10941 -230.15472 10.95469 2.84619 -228.60103 907.04487
2795.0000 -240.34176 -229.52368 10.81808 2.74383 -230.77674 825.82583
2800.0000 -240.71426 -230.65867 10.05559 2.78163 -229.97343 868.50750
2805.0000 -240.74886 -230.65266 10.09620 2.78913 -229.81393 852.50728
2810.0000 -239.01972 -227.61811 11.40161 2.82472 -229.05749 863.85174
2815.0000 -238.00372 -225.51372 12.49000 2.88443 -227.78811 933.11828
2820.0000 -238.16367 -226.09467 12.06900 2.94600 -226.47948 948.74166
2825.0000 -239.29725 -226.95607 12.34118 2.95502 -226.28766 957.57022
2830.0000 -236.31314 -228.02635 8.28679 2.86683 -228.16226 889.49263
2835.0000 -238.62111 -227.19024 11.43087 2.88021 -227.87787 918.92008
2840.0000 -238.86983 -226.44080 12.42904 2.94602 -226.47913 965.52741
2845.0000 -238.60952 -228.47661 10.13291 2.91483 -227.14209 943.08216
2850.0000 -238.85030 -226.90539 11.94491 2.85167 -228.48455 874.79524
2855.0000 -238.09200 -227.47967 10.61233 2.97655 -225.83009 973.45801
2860.0000 -237.79443 -226.80064 10.99379 2.92643 -226.89550 938.24584
2865.0000 -240.88248 -228.14595 12.73653 2.91810 -227.07247 962.81498
2870.0000 -241.46161 -229.39455 12.06706 2.84828 -228.55658 902.46377
2875.0000 -240.19850 -229.41299 10.78551 2.76770 -230.26937 834.40628
2880.0000 -239.58690 -228.65444 10.93246 2.87493 -227.99020 905.15969
2885.0000 -239.49978 -227.89480 11.60498 2.86977 -228.09980 916.57745
2890.0000 -238.59907 -227.02233 11.57674 2.91438 -227.15150 951.72267
2895.0000 -238.56616 -225.76536 12.80080 2.95260 -226.33913 992.30792
2900.0000 -238.40225 -226.75375 11.64850 2.94108 -226.58404 972.62349
2905.0000 -241.19780 -228.68616 12.51164 2.84899 -228.54155 908.99433
2910.0000 -239.83615 -229.15184 10.68431 2.84539 -228.61800 906.54641
2915.0000 -239.17819 -226.42253 12.75566 2.84548 -228.61620 882.90153
2920.0000 -239.12381 -229.33699 9.78682 2.83086 -228.92686 887.62890
2925.0000 -239.60990 -228.16160 11.44830 2.86679 -228.16313 903.19127
2930.0000 -239.33299 -227.96229 11.37070 2.92631 -226.89792 937.35042
2935.0000 -237.91513 -226.73639 11.17875 2.91380 -227.16389 953.85506
2940.0000 -239.83828 -227.19410 12.64419 2.92655 -226.89279 941.78591
2945.0000 -240.27821 -228.64935 11.62886 2.89969 -227.46377 932.50864
2950.0000 -238.99421 -228.37630 10.61792 2.86257 -228.25295 911.28495
2955.0000 -237.24720 -226.74253 10.50467 2.89015 -227.66653 926.08463
2960.0000 -238.51922 -227.84378 10.67544 2.97312 -225.90304 959.86150
2965.0000 -241.66429 -229.57254 12.09176 2.83792 -228.77690 899.14401
2970.0000 -239.93015 -229.58938 10.34077 2.77734 -230.06447 838.33085
2975.0000 -239.13189 -228.05805 11.07384 2.83010 -228.94296 908.51831
2980.0000 -241.09056 -228.95026 12.14029 2.84798 -228.56309 911.26013
2985.0000 -241.20347 -229.75493 11.44854 2.74615 -230.72741 839.76294
2990.0000 -239.25414 -228.09226 11.16187 2.86886 -228.11910 896.03728
2995.0000 -238.11192 -226.55428 11.55764 2.94340 -226.53483 958.11264
3000.0000 -240.01884 -227.45916 12.55968 2.89182 -227.63109 919.30715
FREEZING PROCESS: loop number 13 T-loop= 909.00000000000000
main_MD> interactions number 13 at Temperature= 909.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.17777 1.65357 1.46785
force_rgl> df(natom) 2.48111 2.43724 0.08162
3005.0000 -241.51134 -229.19401 12.31733 2.84669 -228.59033 902.53676
3010.0000 -240.36484 -229.48718 10.87766 2.80603 -229.45465 873.49718
3015.0000 -238.81851 -227.61732 11.20119 2.86636 -228.17227 915.13857
3020.0000 -237.97657 -224.88578 13.09079 2.95934 -226.19586 962.27600
3025.0000 -238.97645 -226.79154 12.18490 2.98260 -225.70151 983.15738
3030.0000 -237.91429 -226.07885 11.83544 2.96730 -226.02679 974.51533
3035.0000 -237.01827 -225.22607 11.79220 3.01938 -224.91959 1012.28305
3040.0000 -237.63427 -224.55991 13.07436 3.02361 -224.82978 1008.20210
3045.0000 -239.57138 -228.43242 11.13895 2.94449 -226.51146 964.75731
3050.0000 -238.45131 -227.23788 11.21343 2.85505 -228.41277 907.23103
3055.0000 -241.10438 -229.28118 11.82321 2.82892 -228.96809 882.58027
3060.0000 -240.36782 -229.54599 10.82183 2.81071 -229.35523 887.64177
3065.0000 -240.35211 -229.00687 11.34524 2.83891 -228.75572 885.49412
3070.0000 -239.28097 -227.90642 11.37455 2.83702 -228.79589 898.72181
3075.0000 -241.08977 -229.41596 11.67381 2.89104 -227.64773 902.28094
3080.0000 -239.51178 -227.36865 12.14313 2.90925 -227.26072 908.48645
3085.0000 -238.59060 -227.20085 11.38975 2.92468 -226.93265 926.20083
3090.0000 -241.10736 -230.89317 10.21419 2.81051 -229.35943 871.61321
3095.0000 -241.02504 -229.35345 11.67159 2.82768 -228.99458 910.49257
3100.0000 -239.26138 -228.47086 10.79053 2.86107 -228.28481 884.25164
3105.0000 -239.03760 -227.04884 11.98876 2.89745 -227.51141 924.57890
3110.0000 -240.08629 -230.42120 9.66509 2.83698 -228.79676 885.49940
3115.0000 -239.51361 -228.90124 10.61237 2.80662 -229.44210 868.81754
3120.0000 -239.18186 -229.26384 9.91802 2.86320 -228.23940 888.58007
3125.0000 -240.40195 -228.38526 12.01668 2.82799 -228.98791 887.99702
3130.0000 -239.11089 -227.15278 11.95810 2.87138 -228.06555 896.41644
3135.0000 -238.46928 -227.07775 11.39153 2.90807 -227.28568 918.05815
3140.0000 -239.83080 -226.98056 12.85024 2.90418 -227.36837 933.41905
3145.0000 -239.41669 -227.18758 12.22911 2.89678 -227.52572 921.70170
3150.0000 -239.29184 -226.72279 12.56905 2.92468 -226.93262 962.00767
3155.0000 -239.26325 -228.77366 10.48959 2.87406 -228.00855 878.00450
3160.0000 -239.83717 -228.45774 11.37943 2.82966 -228.95241 898.01597
3165.0000 -239.56881 -228.97290 10.59590 2.85421 -228.43050 910.54039
3170.0000 -241.11098 -229.84695 11.26403 2.83327 -228.87562 887.91186
3175.0000 -239.15391 -227.26592 11.88799 2.88397 -227.79790 926.74569
3180.0000 -240.38949 -228.26852 12.12097 2.86063 -228.29403 883.82980
3185.0000 -238.60381 -228.60607 9.99774 2.88321 -227.81420 943.03427
3190.0000 -236.86006 -223.64328 13.21678 2.94589 -226.48186 964.01836
3195.0000 -239.13272 -227.50317 11.62955 3.05493 -224.16410 1000.71366
3200.0000 -240.30885 -229.89458 10.41426 2.81015 -229.36709 869.82502
3205.0000 -240.24283 -227.62436 12.61847 2.85595 -228.39348 885.33633
3210.0000 -239.10933 -227.64284 11.46649 2.90472 -227.35687 937.69019
3215.0000 -239.06062 -226.75844 12.30219 2.92111 -227.00857 947.56019
3220.0000 -239.28984 -225.46376 13.82608 2.99656 -225.40479 985.79604
3225.0000 -238.30445 -226.55681 11.74764 3.01366 -225.04136 1010.78500
3230.0000 -242.31968 -229.13220 13.18748 2.89644 -227.53294 939.43876
3235.0000 -241.35833 -229.96131 11.39702 2.83778 -228.77974 897.23803
3240.0000 -241.27762 -228.78221 12.49540 2.78127 -229.98099 864.96857
3245.0000 -240.62536 -229.41893 11.20643 2.83206 -228.90137 883.27202
3250.0000 -238.54351 -228.00324 10.54026 2.85430 -228.42861 901.18959
FREEZING PROCESS: loop number 14 T-loop= 884.00000000000000
main_MD> interactions number 14 at Temperature= 884.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05738 1.47280 3.19467
force_rgl> df(natom) 0.59596 1.33149 -0.46199
3255.0000 -239.07993 -228.43951 10.64042 2.87864 -227.91123 899.41419
3260.0000 -239.16758 -228.40848 10.75910 2.87034 -228.08768 892.03874
3265.0000 -241.18393 -229.13441 12.04952 2.81063 -229.35696 861.82530
3270.0000 -240.25820 -227.25971 12.99849 2.84842 -228.55356 882.87123
3275.0000 -238.62765 -225.78900 12.83865 2.96602 -226.05386 967.54050
3280.0000 -237.70570 -224.73444 12.97126 2.99090 -225.52514 957.90719
3285.0000 -238.85499 -225.39677 13.45822 3.00588 -225.20668 977.21082
3290.0000 -237.74777 -228.02588 9.72189 2.91543 -227.12932 937.33997
3295.0000 -240.72806 -229.32896 11.39910 2.84515 -228.62310 904.46073
3300.0000 -238.88973 -227.26963 11.62010 2.84790 -228.56465 929.21368
3305.0000 -239.49822 -227.57989 11.91833 2.87617 -227.96377 917.56487
3310.0000 -240.38530 -230.50724 9.87806 2.82987 -228.94803 884.88374
3315.0000 -239.15308 -227.65120 11.50187 2.83762 -228.78315 870.19546
3320.0000 -240.11939 -229.93476 10.18463 2.81509 -229.26219 877.74042
3325.0000 -241.38325 -229.63022 11.75304 2.79724 -229.64142 884.60106
3330.0000 -241.67605 -231.55778 10.11827 2.74870 -230.67330 867.52905
3335.0000 -240.13236 -229.22910 10.90326 2.75644 -230.50874 846.90860
3340.0000 -240.37739 -229.16825 11.20914 2.81001 -229.37017 869.33288
3345.0000 -240.64609 -229.86370 10.78239 2.80849 -229.40241 874.10320
3350.0000 -240.95980 -230.71627 10.24353 2.77969 -230.01454 847.88823
3355.0000 -240.87219 -229.21220 11.65999 2.77993 -230.00950 839.23688
3360.0000 -240.43110 -230.56033 9.87077 2.77564 -230.10056 837.96590
3365.0000 -242.76698 -231.43400 11.33298 2.74005 -230.85717 820.00635
3370.0000 -239.59289 -229.81597 9.77692 2.77106 -230.19792 851.96463
3375.0000 -241.01814 -230.02721 10.99093 2.82211 -229.11289 872.99020
3380.0000 -240.39823 -230.91007 9.48816 2.74258 -230.80345 835.85514
3385.0000 -239.57066 -229.39487 10.17579 2.79210 -229.75078 844.28247
3390.0000 -240.41804 -229.66656 10.75148 2.78011 -230.00568 848.41404
3395.0000 -240.28498 -229.83734 10.44764 2.79603 -229.66731 846.62876
3400.0000 -239.12696 -228.73002 10.39693 2.83144 -228.91465 887.72965
3405.0000 -241.04790 -229.23433 11.81356 2.83088 -228.92637 886.61200
3410.0000 -241.64316 -231.41939 10.22377 2.80463 -229.48445 871.42211
3415.0000 -241.90141 -231.79816 10.10325 2.70784 -231.54187 835.57837
3420.0000 -240.14505 -229.75565 10.38940 2.70642 -231.57197 842.31268
3425.0000 -241.07348 -230.39102 10.68246 2.80092 -229.56320 884.43506
3430.0000 -240.87716 -230.25037 10.62680 2.78232 -229.95871 849.95737
3435.0000 -241.53182 -229.94213 11.58969 2.77943 -230.02010 873.46403
3440.0000 -241.73238 -230.48802 11.24436 2.80404 -229.49704 871.06995
3445.0000 -241.84231 -229.78574 12.05657 2.77541 -230.10547 856.53705
3450.0000 -238.68504 -226.59793 12.08711 2.87023 -228.09008 912.12450
3455.0000 -238.64514 -227.59298 11.05216 2.90571 -227.33580 911.12799
3460.0000 -239.47146 -227.49145 11.98001 2.87159 -228.06107 924.23326
3465.0000 -240.32885 -228.88129 11.44756 2.88378 -227.80200 928.62448
3470.0000 -239.71298 -228.79506 10.91792 2.84447 -228.63754 887.17936
3475.0000 -239.83197 -229.43108 10.40088 2.82644 -229.02075 893.72458
3480.0000 -238.81266 -227.44967 11.36299 2.88314 -227.81568 938.71642
3485.0000 -240.21445 -228.36211 11.85234 2.89935 -227.47096 936.12280
3490.0000 -238.39878 -226.98226 11.41651 2.89336 -227.59845 906.89977
3495.0000 -240.12679 -227.39756 12.72923 2.91562 -227.12517 935.84975
3500.0000 -238.79969 -226.85293 11.94676 2.85726 -228.36569 886.14694
FREEZING PROCESS: loop number 15 T-loop= 859.00000000000000
main_MD> interactions number 15 at Temperature= 859.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61400 0.99426 0.25584
force_rgl> df(natom) -0.65259 2.29017 1.19943
3505.0000 -239.38381 -226.21924 13.16457 2.95228 -226.34597 963.55179
3510.0000 -238.53058 -228.45169 10.07889 2.88743 -227.72449 906.37742
3515.0000 -240.50984 -230.69782 9.81202 2.82426 -229.06718 879.46664
3520.0000 -241.19414 -230.84266 10.35148 2.75277 -230.58680 842.65074
3525.0000 -238.34330 -228.18460 10.15870 2.78142 -229.97787 869.44281
3530.0000 -239.80868 -229.39979 10.40888 2.80708 -229.43236 860.67232
3535.0000 -239.71661 -227.90055 11.81606 2.84405 -228.64642 869.33973
3540.0000 -239.86391 -228.14089 11.72302 2.84476 -228.63143 898.38414
3545.0000 -238.37961 -226.89069 11.48893 2.87465 -227.99604 902.15490
3550.0000 -240.33024 -230.48260 9.84764 2.84572 -228.61096 912.37812
3555.0000 -241.61731 -230.83610 10.78121 2.73588 -230.94576 846.52873
3560.0000 -240.19512 -230.28704 9.90808 2.73524 -230.95950 844.65086
3565.0000 -240.64295 -229.43473 11.20822 2.80548 -229.46643 877.05708
3570.0000 -239.63427 -226.75443 12.87984 2.90259 -227.40228 927.48297
3575.0000 -239.13218 -227.49418 11.63800 2.90147 -227.42589 933.06263
3580.0000 -239.71584 -228.58991 11.12593 2.82396 -229.07351 873.41598
3585.0000 -240.99332 -229.78544 11.20788 2.85108 -228.49712 908.18658
3590.0000 -241.41820 -229.09333 12.32487 2.84623 -228.60013 910.84125
3595.0000 -240.01580 -228.93039 11.08541 2.83642 -228.80874 887.33180
3600.0000 -239.52740 -228.94095 10.58645 2.84965 -228.52756 924.20499
3605.0000 -239.19867 -228.20553 10.99315 2.82355 -229.08233 883.82924
3610.0000 -242.13812 -231.13257 11.00556 2.83549 -228.82840 899.89479
3615.0000 -240.12787 -229.52742 10.60045 2.76843 -230.25391 846.03845
3620.0000 -241.94354 -230.64175 11.30179 2.79479 -229.69363 877.29307
3625.0000 -242.38781 -231.41856 10.96925 2.69918 -231.72588 809.72831
3630.0000 -239.64304 -228.08567 11.55737 2.77988 -230.01062 870.11011
3635.0000 -242.23843 -231.73038 10.50804 2.75481 -230.54347 834.56219
3640.0000 -241.69724 -229.82543 11.87181 2.76587 -230.30828 863.55373
3645.0000 -239.22777 -229.71486 9.51291 2.80447 -229.48785 866.97203
3650.0000 -243.27600 -233.37495 9.90105 2.69811 -231.74868 809.45656
3655.0000 -240.41523 -231.11613 9.29910 2.69927 -231.72404 810.68951
3660.0000 -240.42352 -229.33479 11.08873 2.74962 -230.65364 854.26208
3665.0000 -242.13061 -233.04445 9.08616 2.75418 -230.55678 861.46100
3670.0000 -240.85297 -229.79578 11.05718 2.73211 -231.02597 820.80430
3675.0000 -240.22526 -229.85927 10.36598 2.78312 -229.94162 865.51500
3680.0000 -239.75920 -229.52564 10.23356 2.75776 -230.48076 827.40038
3685.0000 -241.05874 -229.38407 11.67467 2.84285 -228.67194 895.68926
3690.0000 -240.80940 -230.18914 10.62026 2.81336 -229.29893 897.26242
3695.0000 -243.28847 -229.29631 13.99216 2.75306 -230.58053 861.12001
3700.0000 -239.92262 -229.94311 9.97950 2.78944 -229.80723 884.99971
3705.0000 -241.29389 -231.73067 9.56322 2.76421 -230.34353 836.35139
3710.0000 -241.46581 -231.29614 10.16967 2.68593 -232.00751 786.11902
3715.0000 -238.97897 -226.55191 12.42706 2.85991 -228.30930 919.07968
3720.0000 -239.21374 -227.59509 11.61865 2.88474 -227.78151 929.51101
3725.0000 -239.69845 -230.12422 9.57423 2.79116 -229.77079 868.64399
3730.0000 -242.98552 -230.77775 12.20777 2.77426 -230.12991 864.17360
3735.0000 -241.35356 -230.62934 10.72422 2.75746 -230.48720 835.09063
3740.0000 -241.34342 -230.76542 10.57800 2.76239 -230.38231 847.31871
3745.0000 -240.29616 -229.17858 11.11758 2.77550 -230.10368 858.97530
3750.0000 -241.88581 -230.09181 11.79400 2.76186 -230.39348 848.74180
FREEZING PROCESS: loop number 16 T-loop= 834.00000000000000
main_MD> interactions number 16 at Temperature= 834.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52167 1.68253 3.61878
force_rgl> df(natom) 2.78976 -1.12930 -0.54961
3755.0000 -241.35375 -229.64968 11.70407 2.79420 -229.70619 862.07211
3760.0000 -240.15225 -229.09764 11.05461 2.83440 -228.85162 901.78144
3765.0000 -241.50561 -230.92599 10.57962 2.74403 -230.77260 824.47958
3770.0000 -241.25804 -229.54796 11.71007 2.77586 -230.09596 890.61317
3775.0000 -241.13587 -228.65429 12.48158 2.83070 -228.93019 903.68766
3780.0000 -240.17334 -227.84568 12.32765 2.83693 -228.79790 908.56081
3785.0000 -238.26724 -227.59424 10.67300 2.84516 -228.62290 917.62785
3790.0000 -238.98055 -228.35976 10.62078 2.89630 -227.53597 924.03356
3795.0000 -241.50581 -230.24377 11.26204 2.75421 -230.55614 834.47952
3800.0000 -239.20701 -228.95488 10.25213 2.77096 -230.20010 832.17208
3805.0000 -241.15353 -231.41196 9.74157 2.79071 -229.78028 856.55290
3810.0000 -241.06617 -229.48352 11.58265 2.75425 -230.55528 841.48217
3815.0000 -240.84885 -230.43695 10.41190 2.84515 -228.62308 890.83468
3820.0000 -240.62695 -229.38820 11.23875 2.79221 -229.74849 875.37049
3825.0000 -240.87355 -230.18319 10.69036 2.78180 -229.96975 867.71444
3830.0000 -242.29086 -229.90374 12.38712 2.79644 -229.65861 887.73917
3835.0000 -241.13940 -230.89042 10.24898 2.77857 -230.03832 848.42490
3840.0000 -241.61022 -231.00155 10.60867 2.71951 -231.29375 816.53306
3845.0000 -241.90721 -232.28956 9.61765 2.73222 -231.02350 821.16403
3850.0000 -241.68699 -231.36723 10.31976 2.70515 -231.59902 797.66312
3855.0000 -242.39313 -232.03404 10.35909 2.69379 -231.84055 829.86674
3860.0000 -242.64020 -233.13438 9.50582 2.69411 -231.83364 796.52210
3865.0000 -242.09414 -231.74065 10.35349 2.70511 -231.59995 821.78720
3870.0000 -243.49523 -232.08940 11.40583 2.66578 -232.43589 803.26330
3875.0000 -243.28540 -232.31611 10.96930 2.70251 -231.65518 828.63816
3880.0000 -241.71108 -229.71734 11.99374 2.73346 -230.99732 846.41705
3885.0000 -241.54695 -230.11976 11.42718 2.77940 -230.02072 872.92035
3890.0000 -239.23171 -228.65648 10.57523 2.81257 -229.31573 890.41685
3895.0000 -239.10728 -229.59438 9.51290 2.75842 -230.46669 836.47293
3900.0000 -240.27201 -229.64753 10.62448 2.76799 -230.26332 859.28453
3905.0000 -242.01624 -230.98146 11.03478 2.73550 -230.95378 820.65926
3910.0000 -240.69071 -230.37606 10.31465 2.77384 -230.13881 841.75870
3915.0000 -242.18235 -231.96079 10.22156 2.75164 -230.61075 826.24777
3920.0000 -240.98669 -231.53157 9.45513 2.68316 -232.06647 800.34054
3925.0000 -241.29654 -229.68092 11.61561 2.74035 -230.85086 851.25942
3930.0000 -242.29917 -232.29936 9.99980 2.72657 -231.14374 847.63021
3935.0000 -241.47196 -231.49746 9.97450 2.67465 -232.24733 797.37396
3940.0000 -244.52438 -233.89670 10.62769 2.60771 -233.67021 777.22490
3945.0000 -240.45222 -230.46534 9.98687 2.66794 -232.38999 800.95807
3950.0000 -241.00836 -230.22501 10.78335 2.68934 -231.93502 815.59401
3955.0000 -242.30468 -232.91633 9.38835 2.70051 -231.69758 811.23561
3960.0000 -241.59245 -232.94587 8.64657 2.62212 -233.36392 759.71986
3965.0000 -240.93143 -231.39580 9.53563 2.71144 -231.46537 822.76848
3970.0000 -241.93476 -231.67210 10.26267 2.74968 -230.65251 861.63653
3975.0000 -241.91110 -231.27153 10.63957 2.70804 -231.53753 824.74021
3980.0000 -239.42869 -229.76569 9.66300 2.80169 -229.54685 860.86863
3985.0000 -242.52223 -231.52146 11.00077 2.74724 -230.70427 833.94334
3990.0000 -241.18054 -230.58547 10.59507 2.75563 -230.52597 839.40503
3995.0000 -240.27687 -231.49543 8.78144 2.76432 -230.34130 862.04245
4000.0000 -242.04450 -231.57449 10.47001 2.70432 -231.61659 818.14933
FREEZING PROCESS: loop number 17 T-loop= 809.00000000000000
main_MD> interactions number 17 at Temperature= 809.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.96020 2.99287 -3.02162
force_rgl> df(natom) -1.66126 2.22687 -1.06579
4005.0000 -242.30503 -233.25829 9.04674 2.67769 -232.18275 775.99919
4010.0000 -241.40440 -231.95940 9.44501 2.66896 -232.36829 769.68115
4015.0000 -243.39769 -234.44308 8.95461 2.60951 -233.63183 754.11762
4020.0000 -242.55937 -231.58305 10.97632 2.64422 -232.89413 787.06994
4025.0000 -241.92967 -232.36748 9.56219 2.70628 -231.57500 826.33978
4030.0000 -242.76970 -233.95429 8.81541 2.60625 -233.70130 769.94641
4035.0000 -243.82154 -233.64063 10.18090 2.60683 -233.68900 749.61868
4040.0000 -242.97849 -232.96104 10.01745 2.60322 -233.76557 760.03510
4045.0000 -243.21408 -234.51361 8.70048 2.62038 -233.40086 770.23723
4050.0000 -243.11360 -232.83925 10.27435 2.57461 -234.37385 734.96089
4055.0000 -242.46447 -232.26206 10.20241 2.65602 -232.64338 785.72812
4060.0000 -241.61716 -230.31166 11.30550 2.70118 -231.68345 823.41693
4065.0000 -242.74587 -231.31954 11.42634 2.74507 -230.75052 839.66812
4070.0000 -242.59096 -232.15974 10.43122 2.71698 -231.34757 829.39141
4075.0000 -243.80232 -233.03926 10.76306 2.63942 -232.99616 768.11147
4080.0000 -242.78280 -232.94623 9.83656 2.59938 -233.84715 745.53859
4085.0000 -243.05359 -232.37787 10.67572 2.65011 -232.76898 764.28545
4090.0000 -242.52958 -231.72186 10.80772 2.68440 -232.04009 806.41966
4095.0000 -242.17382 -231.78446 10.38936 2.71441 -231.40207 824.29278
4100.0000 -243.47910 -233.21205 10.26705 2.62823 -233.23398 760.26709
4105.0000 -243.55522 -234.81626 8.73896 2.55535 -234.78319 727.09603
4110.0000 -243.13927 -233.71188 9.42739 2.57514 -234.36249 750.13558
4115.0000 -242.35488 -232.72895 9.62593 2.66219 -232.51208 794.09040
4120.0000 -241.21155 -232.16258 9.04897 2.65114 -232.74711 789.12825
4125.0000 -241.04462 -229.83770 11.20692 2.68093 -232.11384 791.79200
4130.0000 -240.18594 -228.94645 11.23948 2.79941 -229.59531 881.44704
4135.0000 -242.79175 -231.61561 11.17614 2.77029 -230.21440 864.34777
4140.0000 -241.41105 -231.59958 9.81147 2.70831 -231.53175 834.69138
4145.0000 -242.11464 -233.63152 8.48312 2.66686 -232.41290 803.19502
4150.0000 -243.57324 -233.20968 10.36357 2.66502 -232.45195 783.87247
4155.0000 -242.62463 -232.57368 10.05095 2.66349 -232.48452 799.99129
4160.0000 -243.28674 -232.81802 10.46872 2.69086 -231.90267 804.64958
4165.0000 -242.52777 -230.35158 12.17619 2.69216 -231.87514 817.15110
4170.0000 -243.07291 -233.51579 9.55712 2.66255 -232.50441 813.90747
4175.0000 -242.02199 -233.40685 8.61513 2.61700 -233.47264 768.22910
4180.0000 -241.38200 -232.01226 9.36974 2.61874 -233.43569 757.63397
4185.0000 -242.34919 -232.12331 10.22587 2.70150 -231.67658 814.00399
4190.0000 -242.51908 -231.71110 10.80798 2.72165 -231.24827 825.95647
4195.0000 -243.24526 -232.42025 10.82501 2.69626 -231.78803 822.60133
4200.0000 -242.55023 -232.68868 9.86155 2.64413 -232.89610 776.53973
4205.0000 -242.28652 -231.87389 10.41263 2.69704 -231.77140 818.75879
4210.0000 -242.64175 -233.71541 8.92634 2.64278 -232.92470 773.93436
4215.0000 -241.19594 -229.92696 11.26897 2.66794 -232.38984 798.27702
4220.0000 -240.73228 -230.42884 10.30344 2.77118 -230.19538 850.89792
4225.0000 -241.38558 -229.50637 11.87921 2.75572 -230.52409 858.54789
4230.0000 -243.03450 -232.12773 10.90677 2.74396 -230.77413 825.88821
4235.0000 -242.79465 -232.23131 10.56334 2.65230 -232.72242 781.92620
4240.0000 -240.62124 -230.25149 10.36975 2.71732 -231.34036 801.88018
4245.0000 -242.74721 -233.13537 9.61184 2.69612 -231.79085 822.17431
4250.0000 -241.23679 -232.01923 9.21756 2.69751 -231.76139 806.96607
FREEZING PROCESS: loop number 18 T-loop= 784.00000000000000
main_MD> interactions number 18 at Temperature= 784.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39284 -5.02236 -3.80507
force_rgl> df(natom) -0.75215 1.56834 0.47622
4255.0000 -243.08956 -234.38871 8.70085 2.58993 -234.04822 755.75729
4260.0000 -244.25149 -234.16083 10.09065 2.57035 -234.46441 739.86468
4265.0000 -241.82115 -232.00952 9.81164 2.60499 -233.72798 757.93783
4270.0000 -243.12257 -233.42794 9.69463 2.65585 -232.64682 793.58589
4275.0000 -244.25624 -235.21646 9.03978 2.58316 -234.19213 745.64864
4280.0000 -242.82076 -233.52502 9.29573 2.56593 -234.55820 755.99569
4285.0000 -242.82330 -234.72103 8.10227 2.60326 -233.76485 763.15219
4290.0000 -243.83359 -234.82670 9.00688 2.56664 -234.54329 731.64640
4295.0000 -244.09532 -233.26174 10.83357 2.58059 -234.24675 741.95493
4300.0000 -243.51533 -232.64695 10.86838 2.62929 -233.21145 783.74459
4305.0000 -243.39447 -233.89432 9.50015 2.63022 -233.19171 760.66406
4310.0000 -243.79907 -233.85523 9.94383 2.64266 -232.92720 772.29684
4315.0000 -242.03686 -233.52834 8.50853 2.59375 -233.96689 756.74041
4320.0000 -243.74735 -235.17356 8.57379 2.59141 -234.01659 768.02067
4325.0000 -243.40993 -232.73933 10.67060 2.61157 -233.58805 766.99305
4330.0000 -243.09816 -232.45266 10.64550 2.70290 -231.64678 824.82367
4335.0000 -242.01589 -231.76842 10.24747 2.66706 -232.40857 790.79199
4340.0000 -240.92424 -230.48588 10.43836 2.72735 -231.12715 833.33114
4345.0000 -241.95877 -229.94078 12.01799 2.73492 -230.96624 830.33763
4350.0000 -241.59833 -231.22178 10.37655 2.73618 -230.93950 829.23989
4355.0000 -244.15361 -234.54940 9.60420 2.62332 -233.33831 752.86700
4360.0000 -242.01070 -233.04848 8.96222 2.65172 -232.73480 779.09323
4365.0000 -243.91212 -233.83408 10.07804 2.58317 -234.19175 742.87950
4370.0000 -243.72862 -233.17537 10.55325 2.68630 -231.99966 823.30634
4375.0000 -242.58962 -232.58812 10.00149 2.62844 -233.22959 768.44796
4380.0000 -240.94013 -231.00961 9.93052 2.70550 -231.59166 807.76369
4385.0000 -242.28510 -232.44483 9.84027 2.67153 -232.31353 763.96865
4390.0000 -242.38120 -232.16115 10.22005 2.66667 -232.41683 799.55586
4395.0000 -242.49512 -232.19230 10.30282 2.65324 -232.70232 767.34248
4400.0000 -240.70238 -230.94466 9.75772 2.73012 -231.06824 823.86246
4405.0000 -242.69379 -234.83477 7.85902 2.65630 -232.63733 801.35263
4410.0000 -244.78582 -234.71313 10.07269 2.56114 -234.66001 700.07776
4415.0000 -242.30964 -232.12925 10.18039 2.63818 -233.02255 769.05619
4420.0000 -243.16038 -234.27167 8.88871 2.62636 -233.27368 772.36467
4425.0000 -241.60782 -232.06168 9.54614 2.66965 -232.35363 805.47164
4430.0000 -242.80273 -232.37869 10.42404 2.69883 -231.73334 809.75960
4435.0000 -242.69147 -232.59804 10.09343 2.69601 -231.79337 812.66626
4440.0000 -243.10954 -233.37085 9.73869 2.65435 -232.67891 771.96244
4445.0000 -243.60492 -232.77846 10.82646 2.63839 -233.01799 781.53630
4450.0000 -243.31800 -233.01345 10.30454 2.63262 -233.14075 751.44447
4455.0000 -242.59864 -232.74803 9.85061 2.65957 -232.56782 788.23467
4460.0000 -243.91681 -234.41513 9.50168 2.61426 -233.53096 734.13234
4465.0000 -242.10121 -231.72906 10.37214 2.65451 -232.67532 788.40527
4470.0000 -241.38338 -232.71793 8.66544 2.64185 -232.94442 785.28361
4475.0000 -241.07321 -230.73062 10.34259 2.72132 -231.25530 835.92899
4480.0000 -241.89963 -232.21206 9.68757 2.70396 -231.62428 824.62443
4485.0000 -243.33959 -233.64300 9.69659 2.62153 -233.37651 775.23909
4490.0000 -243.62703 -233.19573 10.43130 2.62456 -233.31196 765.45639
4495.0000 -243.63186 -235.14664 8.48522 2.51399 -235.66228 710.30776
4500.0000 -245.26067 -235.57437 9.68630 2.56052 -234.67319 740.45653
FREEZING PROCESS: loop number 19 T-loop= 759.00000000000000
main_MD> interactions number 19 at Temperature= 759.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86907 1.44903 1.68163
force_rgl> df(natom) 3.78472 -1.53307 1.71165
4505.0000 -243.88865 -235.00107 8.88757 2.52188 -235.49458 699.84334
4510.0000 -243.34059 -233.16640 10.17419 2.57424 -234.38156 737.83648
4515.0000 -244.06914 -234.80376 9.26537 2.64346 -232.91037 770.65081
4520.0000 -243.81568 -233.69411 10.12157 2.60835 -233.65651 729.40754
4525.0000 -244.08357 -234.81899 9.26458 2.59514 -233.93745 734.10048
4530.0000 -243.02915 -232.81938 10.20977 2.58751 -234.09949 743.38400
4535.0000 -242.36084 -232.00256 10.35828 2.66244 -232.50693 801.65055
4540.0000 -241.80255 -231.18954 10.61301 2.72049 -231.27304 819.91804
4545.0000 -243.60389 -233.02378 10.58010 2.67898 -232.15533 797.48272
4550.0000 -241.59180 -232.55574 9.03605 2.64432 -232.89191 784.82859
4555.0000 -243.31144 -234.66453 8.64691 2.61142 -233.59129 752.43965
4560.0000 -242.42359 -233.41311 9.01049 2.57864 -234.28816 736.79571
4565.0000 -242.67349 -233.24597 9.42752 2.62660 -233.26874 759.82622
4570.0000 -242.85949 -232.60450 10.25499 2.66808 -232.38705 809.54731
4575.0000 -243.24037 -234.28777 8.95260 2.62732 -233.25335 770.58522
4580.0000 -243.23667 -232.94394 10.29273 2.61045 -233.61200 772.25012
4585.0000 -242.32357 -231.37790 10.94567 2.68674 -231.99040 820.68783
4590.0000 -240.33756 -230.80320 9.53436 2.71269 -231.43873 799.18531
4595.0000 -241.48290 -232.74280 8.74010 2.68799 -231.96368 782.05909
4600.0000 -243.09158 -233.43792 9.65365 2.63352 -233.12165 761.06121
4605.0000 -243.20586 -233.99756 9.20830 2.59051 -234.03578 751.61891
4610.0000 -243.21492 -233.40968 9.80524 2.61164 -233.58658 761.69223
4615.0000 -243.90756 -234.46718 9.44038 2.59280 -233.98722 758.60451
4620.0000 -244.10046 -235.71716 8.38330 2.53957 -235.11863 726.27042
4625.0000 -243.72091 -234.76322 8.95770 2.57168 -234.43609 734.05687
4630.0000 -245.21276 -234.98056 10.23220 2.55763 -234.73475 741.09758
4635.0000 -243.96840 -234.48085 9.48755 2.57565 -234.35160 744.42842
4640.0000 -245.48765 -235.23000 10.25765 2.58418 -234.17032 754.16762
4645.0000 -242.56749 -234.40324 8.16425 2.54303 -235.04506 720.10009
4650.0000 -244.22680 -235.21018 9.01662 2.55330 -234.82665 714.25135
4655.0000 -241.82543 -232.21542 9.61002 2.62262 -233.35320 784.65748
4660.0000 -243.07040 -231.23481 11.83559 2.68484 -232.03074 813.82575
4665.0000 -240.67025 -229.22189 11.44836 2.75818 -230.47185 844.04938
4670.0000 -240.70684 -230.27208 10.43476 2.74161 -230.82398 840.48990
4675.0000 -241.90212 -231.35071 10.55141 2.73502 -230.96417 836.60931
4680.0000 -243.17006 -234.06056 9.10950 2.66934 -232.36023 786.64555
4685.0000 -243.70790 -234.12475 9.58315 2.62665 -233.26758 769.75100
4690.0000 -241.66443 -231.92950 9.73493 2.62619 -233.27746 763.83612
4695.0000 -242.39739 -233.26100 9.13639 2.66472 -232.45838 776.42568
4700.0000 -242.62381 -232.63062 9.99319 2.64324 -232.91494 766.04849
4705.0000 -242.99101 -232.35590 10.63511 2.64008 -232.98218 773.70769
4710.0000 -243.70459 -234.46414 9.24044 2.60261 -233.77853 733.30574
4715.0000 -244.39099 -235.62732 8.76367 2.53344 -235.24880 693.83400
4720.0000 -243.36787 -233.09118 10.27669 2.56021 -234.67980 727.06583
4725.0000 -241.64905 -232.77836 8.87069 2.64242 -232.93235 796.96774
4730.0000 -241.95682 -231.25518 10.70164 2.71216 -231.45001 819.24076
4735.0000 -241.01339 -231.25095 9.76244 2.75735 -230.48953 856.48973
4740.0000 -241.74426 -231.35531 10.38895 2.76766 -230.27036 842.00113
4745.0000 -242.91517 -232.94926 9.96591 2.65580 -232.64800 765.87030
4750.0000 -243.50869 -233.70305 9.80564 2.63255 -233.14218 767.32038
FREEZING PROCESS: loop number 20 T-loop= 734.00000000000000
main_MD> interactions number 20 at Temperature= 734.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.40307 -1.40664 -1.47572
force_rgl> df(natom) 0.03757 -1.40147 -3.07984
4755.0000 -244.04346 -234.50120 9.54226 2.58630 -234.12519 752.94041
4760.0000 -242.25286 -232.83773 9.41513 2.63063 -233.18301 759.70736
4765.0000 -242.66063 -233.54381 9.11682 2.63206 -233.15264 760.85512
4770.0000 -244.69984 -235.59967 9.10017 2.56523 -234.57320 703.43703
4775.0000 -245.54587 -236.70328 8.84259 2.55451 -234.80109 732.93133
4780.0000 -243.79262 -234.77415 9.01847 2.53574 -235.20006 705.63191
4785.0000 -242.92714 -234.81898 8.10816 2.56066 -234.67029 731.66870
4790.0000 -244.49190 -235.60990 8.88200 2.53006 -235.32079 703.62684
4795.0000 -242.47297 -233.68987 8.78310 2.57765 -234.30910 735.31504
4800.0000 -243.92622 -234.82853 9.09769 2.54951 -234.90735 707.05672
4805.0000 -245.34946 -237.06464 8.28483 2.53662 -235.18120 711.18337
4810.0000 -245.95796 -237.09432 8.86364 2.42722 -237.50661 657.98073
4815.0000 -245.85305 -236.69984 9.15320 2.47794 -236.42862 697.54440
4820.0000 -245.13629 -236.07440 9.06188 2.46158 -236.77636 665.84830
4825.0000 -245.09620 -235.52805 9.56814 2.51447 -235.65209 721.63115
4830.0000 -244.59909 -235.24065 9.35845 2.51350 -235.67267 704.34769
4835.0000 -243.73004 -234.38079 9.34925 2.54685 -234.96383 718.73213
4840.0000 -243.08223 -234.83081 8.25142 2.57557 -234.35329 739.95733
4845.0000 -243.96237 -235.54700 8.41538 2.52152 -235.50217 720.07975
4850.0000 -243.03033 -235.38059 7.64974 2.55068 -234.88246 723.03457
4855.0000 -243.54523 -235.90801 7.63722 2.57234 -234.42193 748.35136
4860.0000 -243.63629 -234.40293 9.23335 2.51150 -235.71515 708.16093
4865.0000 -243.18559 -233.78906 9.39653 2.57435 -234.37928 743.83843
4870.0000 -243.25088 -234.73319 8.51769 2.58911 -234.06560 727.31042
4875.0000 -242.39871 -232.97012 9.42860 2.62467 -233.30974 756.67304
4880.0000 -241.84952 -232.78553 9.06400 2.60424 -233.74402 730.52372
4885.0000 -244.22882 -234.15418 10.07463 2.62077 -233.39257 776.90005
4890.0000 -242.66775 -233.46264 9.20511 2.60334 -233.76315 758.47008
4895.0000 -242.04638 -232.52408 9.52230 2.58253 -234.20538 731.70284
4900.0000 -243.67161 -233.65825 10.01337 2.62458 -233.31151 776.00982
4905.0000 -243.43537 -235.18451 8.25086 2.57011 -234.46943 734.30331
4910.0000 -243.40208 -233.77177 9.63031 2.59621 -233.91454 747.76673
4915.0000 -243.17710 -233.85844 9.31867 2.59824 -233.87158 747.46488
4920.0000 -245.65171 -236.43694 9.21477 2.56483 -234.58156 740.88199
4925.0000 -245.09526 -235.88587 9.20939 2.46413 -236.72219 670.45516
4930.0000 -246.03262 -238.30974 7.72288 2.46347 -236.73613 681.28512
4935.0000 -245.02251 -234.80187 10.22064 2.48054 -236.37328 676.52441
4940.0000 -243.07107 -233.38924 9.68183 2.60303 -233.76974 769.47574
4945.0000 -243.12080 -233.00373 10.11707 2.62103 -233.38713 773.41289
4950.0000 -243.61585 -234.15993 9.45592 2.62032 -233.40208 770.88681
4955.0000 -243.73578 -234.41062 9.32515 2.59566 -233.92627 765.03578
4960.0000 -243.18791 -234.41846 8.76945 2.59616 -233.91562 759.91978
4965.0000 -244.13204 -235.13497 8.99707 2.60548 -233.71765 760.23672
4970.0000 -244.74379 -235.72895 9.01484 2.54125 -235.08294 712.35289
4975.0000 -243.31649 -233.06525 10.25124 2.56641 -234.54809 722.33611
4980.0000 -244.11170 -236.05180 8.05991 2.55937 -234.69766 736.93111
4985.0000 -244.51221 -236.05338 8.45883 2.50043 -235.95059 693.21981
4990.0000 -245.90138 -235.87065 10.03073 2.45197 -236.98064 695.13608
4995.0000 -243.21505 -233.71073 9.50432 2.55033 -234.88983 721.43647
5000.0000 -244.62986 -234.06117 10.56868 2.57204 -234.42838 718.13976
FREEZING PROCESS: loop number 21 T-loop= 709.00000000000000
main_MD> interactions number 21 at Temperature= 709.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65465 1.26267 -0.37697
force_rgl> df(natom) -4.09273 -2.96777 0.18823
5005.0000 -242.40823 -233.00235 9.40588 2.60281 -233.77435 739.30239
5010.0000 -244.33864 -235.41873 8.91991 2.61895 -233.43129 754.57157
5015.0000 -245.38777 -236.17216 9.21561 2.49949 -235.97061 679.04869
5020.0000 -244.75693 -235.64459 9.11234 2.47389 -236.51464 682.44355
5025.0000 -244.38024 -235.93632 8.44391 2.48660 -236.24462 658.08552
5030.0000 -244.30183 -235.56772 8.73411 2.49284 -236.11181 686.39093
5035.0000 -245.89212 -238.75328 7.13884 2.42996 -237.44846 653.50984
5040.0000 -246.28498 -237.07439 9.21058 2.42266 -237.60372 640.55905
5045.0000 -244.25147 -235.16984 9.08163 2.47052 -236.58626 651.93292
5050.0000 -244.55875 -236.43553 8.12322 2.48435 -236.29237 676.11443
5055.0000 -246.80670 -236.57031 10.23640 2.46717 -236.65760 692.56302
5060.0000 -246.32965 -237.05855 9.27110 2.46121 -236.78417 679.37380
5065.0000 -243.83193 -235.47691 8.35502 2.48991 -236.17417 705.74141
5070.0000 -243.43402 -234.59252 8.84150 2.54857 -234.92722 724.25295
5075.0000 -245.09833 -236.24717 8.85116 2.51826 -235.57165 696.38756
5080.0000 -244.76010 -237.10757 7.65253 2.47042 -236.58835 675.84671
5085.0000 -245.31399 -236.42292 8.89108 2.44253 -237.18123 663.19710
5090.0000 -244.35862 -234.66772 9.69090 2.52493 -235.42981 703.97954
5095.0000 -244.92205 -237.05079 7.87126 2.50988 -235.74967 723.94351
5100.0000 -244.61853 -235.76874 8.84979 2.47051 -236.58653 691.27647
5105.0000 -241.86624 -233.57460 8.29164 2.54473 -235.00901 714.21140
5110.0000 -243.15695 -232.88752 10.26943 2.60883 -233.64638 769.16926
5115.0000 -243.64533 -233.88798 9.75735 2.65472 -232.67093 794.33319
5120.0000 -242.64412 -232.64530 9.99881 2.62408 -233.32223 763.13974
5125.0000 -242.76930 -232.42775 10.34156 2.66953 -232.35607 800.58581
5130.0000 -243.08271 -234.30176 8.78095 2.65370 -232.69258 795.21403
5135.0000 -243.69582 -234.72498 8.97085 2.58991 -234.04854 746.78516
5140.0000 -245.74032 -237.11579 8.62454 2.45303 -236.95818 648.15280
5145.0000 -245.06785 -236.36388 8.70397 2.46977 -236.60227 684.31285
5150.0000 -244.40321 -235.33385 9.06936 2.50439 -235.86639 692.09962
5155.0000 -246.26074 -238.42501 7.83573 2.46445 -236.71526 683.50445
5160.0000 -244.71570 -236.07038 8.64532 2.45807 -236.85092 667.80206
5165.0000 -244.50684 -235.28403 9.22280 2.49801 -236.00198 701.46309
5170.0000 -242.75726 -234.03665 8.72061 2.54957 -234.90604 724.39933
5175.0000 -243.98095 -235.49433 8.48662 2.57211 -234.42691 735.39023
5180.0000 -243.96781 -236.10449 7.86332 2.52688 -235.38823 712.65885
5185.0000 -245.38831 -236.31669 9.07162 2.48306 -236.31987 674.22819
5190.0000 -244.61926 -236.30414 8.31512 2.44999 -237.02280 690.95042
5195.0000 -244.34339 -233.81591 10.52748 2.54981 -234.90101 739.43768
5200.0000 -243.79911 -234.55980 9.23931 2.57390 -234.38892 751.93212
5205.0000 -243.96912 -235.28353 8.68559 2.54203 -235.06630 720.94164
5210.0000 -244.21837 -235.57651 8.64186 2.52109 -235.51132 716.77803
5215.0000 -245.30737 -235.94188 9.36549 2.53785 -235.15525 718.01910
5220.0000 -244.74468 -236.76230 7.98238 2.47987 -236.38748 680.25708
5225.0000 -244.80140 -235.77385 9.02755 2.46619 -236.67829 675.60853
5230.0000 -243.87233 -235.49039 8.38194 2.51076 -235.73092 701.62311
5235.0000 -243.37555 -234.38858 8.98697 2.57177 -234.43413 741.62189
5240.0000 -244.20495 -235.02983 9.17511 2.58608 -234.12998 752.67422
5245.0000 -246.37762 -238.16464 8.21298 2.46262 -236.75431 664.41000
5250.0000 -246.35657 -237.52245 8.83412 2.39303 -238.23349 643.14990
FREEZING PROCESS: loop number 22 T-loop= 684.00000000000000
main_MD> interactions number 22 at Temperature= 684.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.32765 0.69013 -0.13499
force_rgl> df(natom) 1.24728 -0.66265 -1.52571
5255.0000 -247.19882 -239.09246 8.10636 2.36047 -238.92564 628.49575
5260.0000 -245.15176 -237.39302 7.75874 2.38590 -238.38503 643.04348
5265.0000 -244.64631 -235.62296 9.02334 2.50198 -235.91767 705.44527
5270.0000 -244.57013 -236.11164 8.45849 2.52031 -235.52807 688.71164
5275.0000 -245.61326 -237.72470 7.88856 2.45578 -236.89965 636.98846
5280.0000 -245.53763 -237.25438 8.28325 2.38439 -238.41718 614.69108
5285.0000 -243.63376 -235.33042 8.30334 2.46930 -236.61233 668.89606
5290.0000 -244.74394 -236.46044 8.28350 2.49713 -236.02061 689.16328
5295.0000 -244.86903 -236.11337 8.75566 2.51738 -235.59027 687.42093
5300.0000 -244.23617 -236.23431 8.00186 2.50702 -235.81041 695.37085
5305.0000 -246.98051 -237.10843 9.87208 2.49221 -236.12533 700.08489
5310.0000 -244.42363 -236.04304 8.38059 2.45646 -236.88526 668.55525
5315.0000 -245.46565 -236.60456 8.86109 2.47366 -236.51964 690.73937
5320.0000 -245.55413 -236.04248 9.51165 2.45246 -236.97023 666.02503
5325.0000 -244.26116 -235.50473 8.75642 2.49539 -236.05774 695.96152
5330.0000 -242.42686 -235.12781 7.29905 2.52183 -235.49566 682.39847
5335.0000 -246.06022 -236.42543 9.63480 2.52571 -235.41321 707.53928
5340.0000 -245.36101 -237.06654 8.29447 2.46353 -236.73492 671.79032
5345.0000 -244.63836 -234.93551 9.70286 2.46777 -236.64469 670.15067
5350.0000 -243.89523 -234.69969 9.19554 2.58136 -234.23030 745.70749
5355.0000 -244.14060 -235.76987 8.37073 2.53702 -235.17282 707.37847
5360.0000 -244.44229 -235.05111 9.39119 2.52686 -235.38867 707.85896
5365.0000 -241.62264 -232.14956 9.47308 2.59682 -233.90176 731.80344
5370.0000 -242.82334 -233.43423 9.38911 2.62587 -233.28411 753.72800
5375.0000 -245.30946 -235.41594 9.89351 2.56182 -234.64570 731.98186
5380.0000 -244.66675 -236.20304 8.46371 2.51192 -235.70641 695.75329
5385.0000 -244.08242 -235.79708 8.28534 2.47931 -236.39945 673.78633
5390.0000 -244.05447 -234.97448 9.07999 2.53476 -235.22076 709.83663
5395.0000 -244.15378 -235.76471 8.38907 2.54244 -235.05767 711.27866
5400.0000 -245.93009 -236.91830 9.01179 2.45001 -237.02230 645.81141
5405.0000 -246.45132 -237.48094 8.97038 2.43734 -237.29168 645.95576
5410.0000 -244.72089 -236.15856 8.56233 2.46841 -236.63122 680.52463
5415.0000 -245.27297 -236.40582 8.86715 2.47061 -236.58449 683.60255
5420.0000 -245.11603 -236.41195 8.70409 2.50498 -235.85376 709.25115
5425.0000 -244.10756 -235.52099 8.58657 2.48722 -236.23131 692.98976
5430.0000 -243.88552 -234.45884 9.42668 2.60366 -233.75618 746.17487
5435.0000 -243.02978 -233.26605 9.76374 2.59637 -233.91118 771.80015
5440.0000 -244.92682 -236.10364 8.82318 2.59361 -233.96997 758.90943
5445.0000 -245.51557 -236.16212 9.35345 2.50909 -235.76647 684.53997
5450.0000 -243.88582 -235.39145 8.49437 2.50896 -235.76921 689.41127
5455.0000 -244.04249 -235.78172 8.26077 2.52582 -235.41084 711.10101
5460.0000 -245.83314 -237.68628 8.14686 2.51515 -235.63768 689.34513
5465.0000 -246.13945 -238.48856 7.65089 2.38642 -238.37397 624.75670
5470.0000 -246.66725 -238.27104 8.39621 2.38902 -238.31879 645.86349
5475.0000 -245.41778 -236.82836 8.58942 2.44786 -237.06803 654.81519
5480.0000 -244.55365 -236.61281 7.94084 2.43739 -237.29047 645.98031
5485.0000 -244.18645 -235.66875 8.51770 2.49077 -236.15593 667.74143
5490.0000 -243.57688 -234.48830 9.08858 2.57060 -234.45896 723.21907
5495.0000 -245.24789 -235.53544 9.71245 2.55451 -234.80099 725.61543
5500.0000 -243.05708 -235.12430 7.93277 2.53842 -235.14297 714.12881
FREEZING PROCESS: loop number 23 T-loop= 659.00000000000000
main_MD> interactions number 23 at Temperature= 659.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23429 2.30659 -1.64661
force_rgl> df(natom) -1.52157 -2.23791 0.16322
5505.0000 -244.60630 -234.87302 9.73328 2.56039 -234.67598 735.85086
5510.0000 -243.86780 -235.41445 8.45335 2.54678 -234.96532 712.00303
5515.0000 -243.77149 -235.95959 7.81190 2.49504 -236.06512 679.98289
5520.0000 -244.88962 -236.84786 8.04176 2.53440 -235.22856 703.78004
5525.0000 -244.80633 -236.44963 8.35670 2.46219 -236.76335 684.32044
5530.0000 -244.47915 -235.52389 8.95526 2.50258 -235.90484 715.21485
5535.0000 -245.85294 -236.80233 9.05061 2.51426 -235.65658 692.60474
5540.0000 -247.65503 -239.86207 7.79296 2.39541 -238.18297 643.97272
5545.0000 -246.38154 -237.93778 8.44376 2.35477 -239.04668 613.63968
5550.0000 -244.56947 -236.41973 8.14974 2.40512 -237.97647 645.18025
5555.0000 -246.40402 -238.45098 7.95304 2.41647 -237.73520 652.04896
5560.0000 -245.99436 -237.85088 8.14349 2.42194 -237.61897 658.66477
5565.0000 -245.81715 -237.28185 8.53530 2.44288 -237.17378 642.23929
5570.0000 -245.15757 -235.64875 9.50881 2.45565 -236.90236 679.15198
5575.0000 -245.18870 -235.70561 9.48310 2.53138 -235.29263 698.78491
5580.0000 -245.89353 -238.80806 7.08547 2.40460 -237.98750 624.00809
5585.0000 -247.48411 -239.46411 8.02000 2.39579 -238.17482 644.54371
5590.0000 -246.07850 -238.47679 7.60170 2.36156 -238.90242 624.84666
5595.0000 -245.09193 -237.69434 7.39760 2.38139 -238.48090 611.11937
5600.0000 -247.14465 -237.93825 9.20641 2.41084 -237.85482 640.02589
5605.0000 -245.78487 -237.56700 8.21787 2.41431 -237.78103 649.00280
5610.0000 -246.93975 -240.03060 6.90914 2.36065 -238.92168 619.24478
5615.0000 -247.55308 -239.31754 8.23554 2.32715 -239.63389 594.96323
5620.0000 -246.31978 -238.10650 8.21328 2.40056 -238.07341 631.02398
5625.0000 -246.27505 -237.94212 8.33293 2.42615 -237.52941 637.81479
5630.0000 -245.12292 -237.09894 8.02398 2.44516 -237.12539 669.13310
5635.0000 -245.10996 -236.37958 8.73038 2.47896 -236.40698 677.94848
5640.0000 -244.21433 -236.08856 8.12577 2.48022 -236.38010 678.69679
5645.0000 -243.82560 -235.58160 8.24400 2.50034 -235.95244 676.14163
5650.0000 -244.58349 -236.34375 8.23975 2.49149 -236.14056 689.84875
5655.0000 -245.43091 -235.54330 9.88760 2.48477 -236.28336 695.06041
5660.0000 -245.00966 -235.25796 9.75170 2.54736 -234.95304 705.74858
5665.0000 -245.40097 -237.64088 7.76009 2.45376 -236.94258 648.46896
5670.0000 -245.39054 -236.61465 8.77589 2.45178 -236.98460 664.73450
5675.0000 -245.82974 -237.08470 8.74504 2.46011 -236.80760 661.84852
5680.0000 -245.13338 -237.20088 7.93251 2.43873 -237.26215 653.52352
5685.0000 -245.62235 -235.67132 9.95103 2.48054 -236.37340 680.92166
5690.0000 -244.52512 -235.93260 8.59252 2.50934 -235.76119 695.32759
5695.0000 -245.11433 -236.41161 8.70272 2.49767 -236.00931 680.30930
5700.0000 -245.40872 -238.53802 6.87070 2.41776 -237.70769 642.41125
5705.0000 -246.54633 -237.66856 8.87777 2.40372 -238.00623 632.56024
5710.0000 -246.38799 -239.08489 7.30310 2.40703 -237.93591 656.11199
5715.0000 -245.92407 -235.65001 10.27406 2.45728 -236.86780 671.18971
5720.0000 -246.42791 -239.36091 7.06701 2.40742 -237.92749 637.81157
5725.0000 -245.42252 -237.16957 8.25295 2.35777 -238.98302 605.47450
5730.0000 -245.64071 -236.32939 9.31132 2.46565 -236.68982 679.61921
5735.0000 -245.31513 -237.08478 8.23035 2.46335 -236.73879 689.99500
5740.0000 -247.33900 -238.20935 9.12965 2.40364 -238.00792 642.42823
5745.0000 -245.65182 -237.53608 8.11574 2.43916 -237.25301 658.22261
5750.0000 -244.31226 -235.21143 9.10082 2.45664 -236.88136 665.45937
FREEZING PROCESS: loop number 24 T-loop= 634.00000000000000
main_MD> interactions number 24 at Temperature= 634.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10890 -0.39622 -2.49268
force_rgl> df(natom) 2.38831 -0.39569 3.72496
5755.0000 -247.09261 -238.32459 8.76802 2.46514 -236.70058 684.28086
5760.0000 -246.18750 -237.27858 8.90891 2.40436 -237.99270 643.01853
5765.0000 -245.46492 -238.00411 7.46081 2.39934 -238.09937 640.32920
5770.0000 -247.19704 -238.79362 8.40341 2.37362 -238.64610 635.23873
5775.0000 -247.11420 -238.39192 8.72228 2.37858 -238.54070 635.60315
5780.0000 -247.02999 -239.35026 7.67973 2.37366 -238.64519 629.40075
5785.0000 -246.98535 -238.48604 8.49931 2.38301 -238.44645 629.24299
5790.0000 -246.34505 -238.41668 7.92837 2.43376 -237.36775 638.91232
5795.0000 -245.60249 -237.92625 7.67625 2.37516 -238.61333 609.34600
5800.0000 -247.53507 -239.78617 7.74890 2.36433 -238.84354 612.60988
5805.0000 -247.78244 -240.89382 6.88862 2.27836 -240.67092 560.88976
5810.0000 -248.95451 -240.52039 8.43412 2.27256 -240.79425 557.06789
5815.0000 -248.29284 -240.60034 7.69251 2.30960 -240.00695 600.32924
5820.0000 -247.72327 -239.95274 7.77052 2.31881 -239.81109 602.19545
5825.0000 -247.19180 -238.79421 8.39759 2.30483 -240.10829 567.99784
5830.0000 -247.01329 -239.94408 7.06921 2.34899 -239.16967 596.89815
5835.0000 -245.31746 -237.30511 8.01235 2.35872 -238.96278 603.59726
5840.0000 -245.63504 -237.81433 7.82072 2.43567 -237.32718 653.90844
5845.0000 -245.04038 -237.62379 7.41658 2.41909 -237.67961 646.63934
5850.0000 -245.62070 -237.98928 7.63142 2.46237 -236.75956 666.91964
5855.0000 -245.56966 -236.83211 8.73756 2.43154 -237.41482 669.61291
5860.0000 -244.80571 -235.96828 8.83743 2.48648 -236.24712 698.91027
5865.0000 -245.28274 -235.73310 9.54964 2.48955 -236.18171 661.16876
5870.0000 -244.07274 -236.27929 7.79346 2.47386 -236.51527 638.45864
5875.0000 -245.53762 -236.35310 9.18452 2.49980 -235.96400 674.25521
5880.0000 -246.87513 -238.50352 8.37161 2.40980 -237.87689 630.24904
5885.0000 -245.88112 -238.24191 7.63921 2.41056 -237.86088 629.13488
5890.0000 -245.71352 -238.50215 7.21137 2.37782 -238.55667 605.42672
5895.0000 -247.44565 -238.72557 8.72008 2.37541 -238.60805 616.90224
5900.0000 -246.69298 -239.58868 7.10430 2.33273 -239.51516 597.53303
5905.0000 -246.62118 -238.64890 7.97227 2.35985 -238.93882 619.77375
5910.0000 -246.03747 -237.11729 8.92019 2.38363 -238.43317 635.72384
5915.0000 -244.84085 -236.78620 8.05465 2.45006 -237.02113 685.68909
5920.0000 -244.99864 -238.32031 6.67832 2.41089 -237.85386 637.78927
5925.0000 -245.37324 -238.07105 7.30219 2.44014 -237.23218 665.91759
5930.0000 -246.42400 -237.68558 8.73842 2.38811 -238.33797 639.90556
5935.0000 -246.65953 -238.25827 8.40126 2.40245 -238.03326 643.18477
5940.0000 -244.78385 -238.06381 6.72004 2.34780 -239.19491 604.15776
5945.0000 -246.22692 -237.48035 8.74657 2.43644 -237.31075 635.34572
5950.0000 -244.93700 -238.03715 6.89985 2.42721 -237.50700 646.87842
5955.0000 -245.57118 -238.38111 7.19007 2.40889 -237.89632 618.62984
5960.0000 -247.17504 -238.92338 8.25166 2.38765 -238.34791 612.21562
5965.0000 -246.91990 -237.29032 9.62958 2.39546 -238.18187 627.61161
5970.0000 -247.73311 -239.63006 8.10305 2.40341 -238.01288 637.98198
5975.0000 -245.83028 -237.38668 8.44360 2.37253 -238.66923 627.42720
5980.0000 -246.12233 -238.16477 7.95756 2.41495 -237.76759 662.02042
5985.0000 -247.25857 -238.00382 9.25475 2.38364 -238.43305 633.41467
5990.0000 -245.44723 -236.19520 9.25203 2.45973 -236.81570 676.41212
5995.0000 -245.51996 -237.11948 8.40048 2.46765 -236.64728 680.82076
6000.0000 -245.49171 -237.41364 8.07806 2.44349 -237.16080 663.04530
FREEZING PROCESS: loop number 25 T-loop= 609.00000000000000
main_MD> interactions number 25 at Temperature= 609.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81028 -2.27317 1.10432
force_rgl> df(natom) 0.83774 2.08567 1.31246
6005.0000 -246.40925 -237.49013 8.91911 2.38861 -238.32732 646.45681
6010.0000 -246.07760 -237.82815 8.24944 2.42124 -237.63389 637.55772
6015.0000 -247.10778 -238.80484 8.30294 2.40057 -238.07319 644.27374
6020.0000 -247.29929 -239.89032 7.40897 2.34332 -239.29005 615.80848
6025.0000 -246.96819 -239.55780 7.41039 2.32975 -239.57863 599.01142
6030.0000 -247.17695 -237.97764 9.19931 2.39378 -238.21749 648.42875
6035.0000 -246.83989 -238.51853 8.32136 2.38690 -238.36382 636.03534
6040.0000 -246.36342 -237.69848 8.66495 2.39111 -238.27424 628.82428
6045.0000 -246.02856 -237.99986 8.02870 2.41985 -237.66341 645.74270
6050.0000 -246.67230 -238.76664 7.90566 2.40326 -238.01605 657.03910
6055.0000 -245.36602 -238.06928 7.29674 2.37760 -238.56146 612.08092
6060.0000 -245.67173 -237.15874 8.51299 2.43990 -237.23711 651.32002
6065.0000 -245.17581 -237.51509 7.66072 2.42936 -237.46125 645.24711
6070.0000 -246.81105 -239.44497 7.36608 2.41288 -237.81158 629.48783
6075.0000 -247.27442 -237.90219 9.37223 2.36141 -238.90562 611.00170
6080.0000 -246.31071 -238.40453 7.90618 2.40788 -237.91770 657.76675
6085.0000 -247.45418 -240.63884 6.81534 2.34867 -239.17634 602.22236
6090.0000 -245.91257 -239.50164 6.41092 2.32349 -239.71169 575.08051
6095.0000 -247.46404 -239.48750 7.97654 2.31771 -239.83455 582.79981
6100.0000 -246.95607 -238.59914 8.35693 2.35619 -239.01652 624.40742
6105.0000 -246.13338 -239.21680 6.91659 2.39012 -238.29523 624.20058
6110.0000 -247.00866 -239.62647 7.38219 2.30994 -239.99962 582.29603
6115.0000 -246.36882 -238.42003 7.94879 2.36963 -238.73083 612.99367
6120.0000 -248.55214 -241.06848 7.48365 2.33953 -239.37074 620.66350
6125.0000 -247.61917 -240.13915 7.48002 2.28481 -240.53383 591.04557
6130.0000 -247.33841 -240.17602 7.16239 2.31836 -239.82072 611.29434
6135.0000 -248.33501 -240.56803 7.76699 2.27273 -240.79066 580.53472
6140.0000 -248.06961 -239.29478 8.77483 2.31929 -239.80089 653.63226
6145.0000 -247.54029 -239.42391 8.11639 2.33587 -239.44845 658.02005
6150.0000 -248.14627 -240.99810 7.14817 2.28151 -240.60396 623.23619
6155.0000 -249.14650 -241.01895 8.12754 2.27613 -240.71821 615.09436
6160.0000 -249.21300 -241.11381 8.09919 2.26908 -240.86810 620.63457
6165.0000 -249.41641 -241.05471 8.36170 2.25015 -241.27043 612.45943
6170.0000 -248.57180 -240.68202 7.88978 2.25243 -241.22214 599.68544
6175.0000 -248.63658 -240.87641 7.76018 2.29922 -240.22743 627.25549
6180.0000 -248.06393 -240.51750 7.54643 2.30960 -240.00690 641.47627
6185.0000 -249.73277 -241.34536 8.38742 2.28155 -240.60307 601.41130
6190.0000 -246.12352 -238.89540 7.22812 2.26458 -240.96383 574.33123
6195.0000 -247.41317 -240.11466 7.29851 2.32672 -239.64285 610.32692
6200.0000 -248.09836 -240.49845 7.59992 2.28586 -240.51150 569.73875
6205.0000 -246.09971 -238.59866 7.50105 2.33040 -239.56470 608.35121
6210.0000 -246.74675 -238.47158 8.27517 2.40710 -237.93449 648.49867
6215.0000 -247.75730 -239.23089 8.52641 2.35299 -239.08461 622.94656
6220.0000 -248.54109 -240.93601 7.60508 2.29688 -240.27717 607.40050
6225.0000 -248.06297 -240.52860 7.53437 2.29626 -240.29048 605.98004
6230.0000 -247.51834 -240.83662 6.68172 2.30148 -240.17942 582.38924
6235.0000 -247.87750 -239.77256 8.10494 2.31144 -239.96776 580.56025
6240.0000 -245.12113 -237.41659 7.70454 2.37933 -238.52467 603.77213
6245.0000 -246.43296 -238.33328 8.09968 2.40521 -237.97451 632.76656
6250.0000 -247.91964 -239.50005 8.41960 2.41808 -237.70100 650.88837
FREEZING PROCESS: loop number 26 T-loop= 584.00000000000000
main_MD> interactions number 26 at Temperature= 584.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19169 2.02985 -0.26660
force_rgl> df(natom) 1.40891 0.09635 3.59391
6255.0000 -246.96924 -239.32721 7.64203 2.32237 -239.73547 564.25028
6260.0000 -247.76037 -239.12893 8.63143 2.35582 -239.02434 595.64514
6265.0000 -247.46413 -238.60038 8.86375 2.39189 -238.25765 639.72922
6270.0000 -246.33825 -238.86839 7.46985 2.37092 -238.70337 618.82858
6275.0000 -246.03523 -237.93544 8.09979 2.38297 -238.44731 621.62390
6280.0000 -245.49256 -238.00401 7.48855 2.40436 -237.99273 625.80408
6285.0000 -245.48170 -237.50389 7.97781 2.40408 -237.99851 624.72987
6290.0000 -247.19575 -239.42574 7.77001 2.37037 -238.71509 615.00272
6295.0000 -246.97464 -239.60924 7.36539 2.34596 -239.23405 605.12620
6300.0000 -247.80205 -239.89714 7.90491 2.31103 -239.97639 602.97291
6305.0000 -247.86768 -240.16885 7.69884 2.30583 -240.08691 604.34887
6310.0000 -248.43900 -241.27874 7.16026 2.29095 -240.40324 574.75092
6315.0000 -249.23464 -241.25413 7.98051 2.26889 -240.87219 584.28059
6320.0000 -248.35943 -241.32978 7.02965 2.26967 -240.85555 592.04314
6325.0000 -249.08049 -242.58999 6.49050 2.22783 -241.74492 571.14060
6330.0000 -248.02939 -241.07881 6.95057 2.23703 -241.54933 575.80211
6335.0000 -248.51926 -240.86825 7.65101 2.25424 -241.18358 554.42762
6340.0000 -247.97161 -241.18607 6.78554 2.26474 -240.96045 559.84954
6345.0000 -247.58517 -240.44736 7.13780 2.29421 -240.33390 565.62525
6350.0000 -248.49961 -240.34838 8.15123 2.30499 -240.10485 572.27677
6355.0000 -248.10723 -241.04460 7.06264 2.27721 -240.69525 545.94582
6360.0000 -245.72751 -239.01879 6.70872 2.28902 -240.44424 573.30649
6365.0000 -247.34793 -240.55860 6.78933 2.29354 -240.34824 567.65368
6370.0000 -247.20566 -239.91591 7.28975 2.29753 -240.26337 573.87001
6375.0000 -246.24517 -238.83901 7.40616 2.35147 -239.11684 586.34583
6380.0000 -246.22016 -237.59123 8.62893 2.37610 -238.59343 603.32989
6385.0000 -246.25857 -239.39748 6.86109 2.37233 -238.67348 607.65643
6390.0000 -247.62221 -240.10117 7.52103 2.32360 -239.70926 604.89541
6395.0000 -247.24071 -240.53887 6.70184 2.25649 -241.13585 552.50361
6400.0000 -248.18251 -241.04005 7.14245 2.26728 -240.90643 552.04824
6405.0000 -248.19897 -241.40780 6.79117 2.25286 -241.21285 545.62048
6410.0000 -248.25142 -241.51026 6.74115 2.24764 -241.32397 558.44220
6415.0000 -249.54508 -241.90034 7.64475 2.20283 -242.27637 538.51302
6420.0000 -247.63870 -240.15646 7.48224 2.24577 -241.36363 573.21607
6425.0000 -247.29417 -239.22933 8.06483 2.31162 -239.96390 596.51145
6430.0000 -248.13041 -240.08152 8.04889 2.33086 -239.55500 592.36958
6435.0000 -247.46394 -239.66400 7.79994 2.31759 -239.83711 587.72193
6440.0000 -247.59397 -239.79015 7.80382 2.31478 -239.89665 580.87998
6445.0000 -246.94763 -239.81659 7.13105 2.31392 -239.91498 578.47074
6450.0000 -246.49148 -239.08887 7.40261 2.29220 -240.37682 565.17331
6455.0000 -248.07082 -240.00427 8.06655 2.31527 -239.88639 576.60358
6460.0000 -247.99208 -240.50202 7.49005 2.32687 -239.63981 588.03938
6465.0000 -248.39646 -240.33717 8.05929 2.28731 -240.48060 563.39983
6470.0000 -247.63771 -240.67820 6.95951 2.29818 -240.24960 579.47645
6475.0000 -249.32272 -242.59630 6.72642 2.20818 -242.16269 535.16534
6480.0000 -250.09852 -242.98847 7.11005 2.20320 -242.26861 546.23939
6485.0000 -249.50640 -241.89934 7.60706 2.18927 -242.56463 540.37228
6490.0000 -248.45801 -241.35104 7.10697 2.24092 -241.46664 570.25169
6495.0000 -249.13052 -242.87842 6.25210 2.22660 -241.77108 566.34152
6500.0000 -248.45223 -240.33284 8.11938 2.24379 -241.40580 548.19916
FREEZING PROCESS: loop number 27 T-loop= 559.00000000000000
main_MD> interactions number 27 at Temperature= 559.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40019 -0.68730 -0.47822
force_rgl> df(natom) -0.80244 -1.47954 3.16360
6505.0000 -247.51481 -240.93061 6.58420 2.28695 -240.48831 557.03848
6510.0000 -247.39012 -239.74979 7.64033 2.28623 -240.50371 556.15666
6515.0000 -247.76585 -240.50770 7.25815 2.28344 -240.56289 563.49753
6520.0000 -247.10116 -239.06576 8.03540 2.32949 -239.58408 589.44409
6525.0000 -247.85212 -241.27568 6.57644 2.30086 -240.19270 561.27382
6530.0000 -248.85017 -241.71479 7.13539 2.23930 -241.50114 527.06178
6535.0000 -248.68667 -242.59833 6.08834 2.22062 -241.89815 532.01984
6540.0000 -249.73701 -242.58650 7.15051 2.17342 -242.90145 515.96584
6545.0000 -250.01525 -243.06224 6.95301 2.18202 -242.71882 542.66578
6550.0000 -248.77162 -242.76121 6.01041 2.18729 -242.60663 554.58791
6555.0000 -250.34297 -242.94560 7.39737 2.18737 -242.60495 554.46111
6560.0000 -249.61452 -242.43020 7.18431 2.16318 -243.11913 556.80623
6565.0000 -248.78237 -241.52195 7.26042 2.20774 -242.17202 565.62794
6570.0000 -249.46153 -242.25589 7.20564 2.21128 -242.09676 556.22785
6575.0000 -249.52436 -242.31120 7.21316 2.20384 -242.25484 563.21507
6580.0000 -250.50051 -243.64776 6.85275 2.19290 -242.48748 566.87656
6585.0000 -248.40628 -240.96627 7.44001 2.17800 -242.80411 543.91811
6590.0000 -248.88745 -242.50247 6.38498 2.21622 -241.99182 571.07117
6595.0000 -248.90797 -241.88718 7.02079 2.19768 -242.38587 543.91549
6600.0000 -248.75837 -241.81718 6.94120 2.23591 -241.57312 580.27957
6605.0000 -248.16106 -241.76101 6.40005 2.24291 -241.42436 570.80649
6610.0000 -247.65216 -239.61542 8.03675 2.25685 -241.12803 568.26484
6615.0000 -246.35806 -239.19312 7.16494 2.33278 -239.51415 584.38443
6620.0000 -248.92041 -241.79512 7.12529 2.24080 -241.46928 554.61391
6625.0000 -247.76097 -240.79700 6.96397 2.25115 -241.24934 527.70893
6630.0000 -248.75578 -240.38991 8.36587 2.29406 -240.33708 573.18473
6635.0000 -246.84185 -240.31800 6.52385 2.31330 -239.92823 586.36218
6640.0000 -247.69893 -239.72253 7.97640 2.30891 -240.02151 571.23345
6645.0000 -247.43675 -240.70563 6.73112 2.30377 -240.13079 574.12357
6650.0000 -246.35171 -238.66225 7.68946 2.30595 -240.08449 570.36729
6655.0000 -247.05066 -238.56377 8.48689 2.38222 -238.46318 620.08820
6660.0000 -245.88113 -239.62989 6.25123 2.32793 -239.61719 587.07178
6665.0000 -245.42442 -237.54860 7.87582 2.35928 -238.95083 623.01460
6670.0000 -247.33022 -239.72458 7.60564 2.37395 -238.63912 648.20517
6675.0000 -247.63139 -239.93611 7.69528 2.30547 -240.09455 573.63477
6680.0000 -247.17695 -239.74811 7.42884 2.31051 -239.98750 600.35739
6685.0000 -247.15485 -240.02451 7.13035 2.28938 -240.43660 589.19469
6690.0000 -247.45602 -240.11039 7.34562 2.32345 -239.71249 594.20970
6695.0000 -247.01456 -239.88770 7.12686 2.30869 -240.02624 593.13156
6700.0000 -249.16141 -241.52098 7.64043 2.27628 -240.71515 598.85944
6705.0000 -248.34853 -240.96895 7.37958 2.23403 -241.61316 564.77548
6710.0000 -248.20211 -241.80494 6.39718 2.22464 -241.81269 543.90700
6715.0000 -247.41007 -240.56632 6.84376 2.26681 -240.91642 566.70581
6720.0000 -247.36532 -240.29767 7.06765 2.27819 -240.67462 577.65841
6725.0000 -247.08837 -240.19594 6.89244 2.27720 -240.69562 582.60220
6730.0000 -247.75240 -241.36516 6.38724 2.27601 -240.72088 579.13888
6735.0000 -248.76680 -241.42464 7.34216 2.23477 -241.59754 558.98251
6740.0000 -248.65916 -241.47169 7.18747 2.21849 -241.94349 522.45977
6745.0000 -248.96115 -241.79679 7.16436 2.24013 -241.48356 551.91051
6750.0000 -249.51349 -242.62747 6.88602 2.19283 -242.48886 515.26592
FREEZING PROCESS: loop number 28 T-loop= 534.00000000000000
main_MD> interactions number 28 at Temperature= 534.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05802 -1.67942 0.28732
force_rgl> df(natom) -3.12273 0.93184 -0.49812
6755.0000 -249.14617 -241.80788 7.33829 2.20586 -242.21195 532.54533
6760.0000 -250.05933 -242.94256 7.11677 2.22804 -241.74046 571.00610
6765.0000 -250.51135 -243.74729 6.76406 2.14948 -243.41031 515.98305
6770.0000 -249.56369 -243.66766 5.89603 2.14772 -243.44781 508.75495
6775.0000 -249.93823 -243.12954 6.80869 2.13998 -243.61225 503.01268
6780.0000 -250.18439 -243.82958 6.35481 2.15389 -243.31670 495.13496
6785.0000 -248.35112 -242.33091 6.02021 2.17421 -242.88469 515.37511
6790.0000 -247.79996 -241.09322 6.70674 2.21787 -241.95660 523.00825
6795.0000 -247.36742 -239.57547 7.79194 2.29263 -240.36750 556.36435
6800.0000 -248.85207 -240.49655 8.35552 2.32353 -239.71070 603.00047
6805.0000 -249.41433 -241.26628 8.14806 2.27835 -240.67103 585.73072
6810.0000 -249.09152 -242.64741 6.44410 2.22891 -241.72206 549.34288
6815.0000 -249.71958 -244.49620 5.22338 2.12843 -243.85791 490.73443
6820.0000 -250.72196 -245.19259 5.52937 2.09500 -244.56849 470.93792
6825.0000 -251.08331 -244.50529 6.57803 2.09085 -244.65666 484.37090
6830.0000 -251.06654 -244.55954 6.50700 2.10863 -244.27880 500.56680
6835.0000 -249.82029 -243.54850 6.27178 2.12587 -243.91234 513.08521
6840.0000 -248.94647 -242.82622 6.12024 2.16422 -243.09717 528.86330
6845.0000 -249.70410 -242.74005 6.96405 2.17361 -242.89757 536.44308
6850.0000 -249.60197 -243.04899 6.55298 2.18355 -242.68627 556.55614
6855.0000 -250.42320 -243.65395 6.76924 2.15088 -243.38056 535.15871
6860.0000 -250.38241 -243.44015 6.94226 2.16875 -243.00086 560.35653
6865.0000 -250.19377 -243.56478 6.62899 2.12968 -243.83123 526.18366
6870.0000 -249.30508 -243.44879 5.85629 2.16571 -243.06537 512.57319
6875.0000 -249.46504 -242.20622 7.25881 2.15440 -243.30585 519.62894
6880.0000 -250.35621 -243.36470 6.99152 2.21191 -242.08327 575.50723
6885.0000 -250.02760 -243.76635 6.26125 2.14332 -243.54140 510.39064
6890.0000 -249.92129 -242.70664 7.21465 2.16147 -243.15548 525.95819
6895.0000 -250.94095 -243.77819 7.16276 2.14565 -243.49172 526.75419
6900.0000 -249.81923 -243.15979 6.65944 2.14574 -243.48983 514.89545
6905.0000 -250.00587 -243.26162 6.74425 2.16320 -243.11880 529.96710
6910.0000 -250.01110 -243.74333 6.26776 2.15215 -243.35371 545.09555
6915.0000 -251.31649 -244.10724 7.20925 2.13112 -243.80071 529.93045
6920.0000 -250.56560 -243.35566 7.20994 2.11637 -244.11427 520.85667
6925.0000 -250.73487 -244.42515 6.30972 2.13325 -243.75535 531.61167
6930.0000 -249.97798 -243.61813 6.35985 2.12366 -243.95932 521.29273
6935.0000 -250.35721 -244.45175 5.90546 2.12572 -243.91546 510.73258
6940.0000 -250.44437 -243.47427 6.97010 2.14010 -243.60985 501.39539
6945.0000 -250.80907 -243.67675 7.13232 2.13819 -243.65046 523.80484
6950.0000 -250.28964 -242.92336 7.36628 2.17654 -242.83521 543.25468
6955.0000 -250.53079 -243.89500 6.63579 2.15285 -243.33876 537.03712
6960.0000 -250.07576 -243.56878 6.50698 2.15697 -243.25123 524.84065
6965.0000 -250.63372 -244.04475 6.58897 2.15796 -243.23016 526.67523
6970.0000 -249.49078 -242.01346 7.47732 2.15073 -243.38372 519.99759
6975.0000 -249.59479 -243.18418 6.41061 2.18276 -242.70298 537.04870
6980.0000 -250.02811 -243.64985 6.37826 2.17163 -242.93946 538.91894
6985.0000 -248.86379 -241.39140 7.47239 2.21889 -241.93494 555.83558
6990.0000 -248.85028 -242.31186 6.53842 2.22360 -241.83480 571.82983
6995.0000 -249.49249 -242.64366 6.84883 2.17883 -242.78648 532.26664
7000.0000 -250.03603 -243.93647 6.09956 2.14340 -243.53970 522.47218
FREEZING PROCESS: loop number 29 T-loop= 509.00000000000000
main_MD> interactions number 29 at Temperature= 509.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65943 -0.82072 0.07037
force_rgl> df(natom) -1.03159 0.13833 0.90482
7005.0000 -250.43046 -244.65190 5.77856 2.09090 -244.65558 490.16467
7010.0000 -250.25807 -243.31547 6.94260 2.10460 -244.36446 499.75752
7015.0000 -250.63980 -244.03497 6.60482 2.16724 -243.03295 547.38740
7020.0000 -250.85499 -244.46961 6.38538 2.10250 -244.40891 500.25086
7025.0000 -249.88616 -242.90721 6.97895 2.12678 -243.89283 510.37600
7030.0000 -249.84387 -243.12220 6.72167 2.16218 -243.14044 550.01001
7035.0000 -249.87887 -242.84366 7.03522 2.17018 -242.97036 553.31494
7040.0000 -250.96814 -244.42557 6.54257 2.12236 -243.98695 517.77150
7045.0000 -250.01531 -243.45714 6.55817 2.09254 -244.62074 502.13163
7050.0000 -250.64879 -243.69102 6.95777 2.15410 -243.31224 538.76955
7055.0000 -249.48223 -241.73529 7.74695 2.16881 -242.99953 536.49224
7060.0000 -249.86535 -243.59999 6.26536 2.18040 -242.75309 551.32921
7065.0000 -251.31655 -245.11085 6.20570 2.12641 -243.90076 525.54954
7070.0000 -250.74775 -244.73066 6.01709 2.08351 -244.81268 500.71070
7075.0000 -249.94894 -242.81121 7.13773 2.13255 -243.77025 524.41578
7080.0000 -249.90422 -243.53231 6.37191 2.16384 -243.10508 550.53518
7085.0000 -249.90648 -244.19263 5.71384 2.14571 -243.49058 518.17642
7090.0000 -250.96731 -244.78951 6.17780 2.08043 -244.87815 483.44668
7095.0000 -251.21583 -245.57957 5.63626 2.06326 -245.24302 463.84971
7100.0000 -250.21844 -244.05609 6.16235 2.08833 -244.71022 479.07099
7105.0000 -251.40487 -245.07804 6.32682 2.08717 -244.73489 482.59273
7110.0000 -251.48612 -245.09574 6.39038 2.08019 -244.88329 482.22793
7115.0000 -249.94020 -242.41130 7.52891 2.13055 -243.81267 524.74559
7120.0000 -250.46902 -243.71570 6.75332 2.15455 -243.30257 533.06975
7125.0000 -250.74162 -244.23451 6.50712 2.11211 -244.20469 510.73273
7130.0000 -250.25172 -243.09625 7.15547 2.11364 -244.17217 495.31847
7135.0000 -250.04884 -242.90505 7.14379 2.16099 -243.16576 540.68957
7140.0000 -249.73625 -244.14144 5.59481 2.14103 -243.59004 524.05200
7145.0000 -250.98388 -244.49903 6.48486 2.10573 -244.34027 494.94147
7150.0000 -251.29527 -245.12120 6.17407 2.07285 -245.03919 480.18994
7155.0000 -250.14134 -243.99690 6.14444 2.09549 -244.55804 502.01992
7160.0000 -250.56123 -244.63153 5.92970 2.10211 -244.41727 498.19649
7165.0000 -250.77854 -244.23402 6.54451 2.11798 -244.07989 506.67273
7170.0000 -249.40160 -243.17259 6.22901 2.14856 -243.42998 527.30333
7175.0000 -250.57988 -243.71281 6.86706 2.16649 -243.04876 535.25286
7180.0000 -250.46132 -243.41355 7.04777 2.16412 -243.09919 523.04485
7185.0000 -249.19813 -243.27627 5.92186 2.13615 -243.69373 505.85399
7190.0000 -250.38751 -243.06332 7.32419 2.17202 -242.93134 542.82121
7195.0000 -250.41825 -243.36685 7.05139 2.13845 -243.64492 530.47980
7200.0000 -249.86228 -243.27750 6.58478 2.15527 -243.28734 541.09323
7205.0000 -250.27929 -243.87134 6.40795 2.13528 -243.71226 526.23217
7210.0000 -250.72203 -243.76635 6.95568 2.14393 -243.52841 528.63124
7215.0000 -249.87724 -243.87650 6.00074 2.15543 -243.28387 541.72155
7220.0000 -249.57023 -243.84586 5.72437 2.12755 -243.87664 510.91305
7225.0000 -249.97712 -242.89165 7.08548 2.14587 -243.48722 517.07410
7230.0000 -250.15608 -242.27705 7.87903 2.18277 -242.70284 541.73066
7235.0000 -250.23103 -243.37092 6.86011 2.17041 -242.96549 541.25189
7240.0000 -249.67348 -241.79888 7.87460 2.19230 -242.50024 554.65074
7245.0000 -249.77807 -243.22594 6.55213 2.20160 -242.30256 551.13412
7250.0000 -250.08439 -243.13005 6.95434 2.15707 -243.24905 527.74850
FREEZING PROCESS: loop number 30 T-loop= 484.00000000000000
main_MD> interactions number 30 at Temperature= 484.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05116 0.10569 2.52897
force_rgl> df(natom) 0.05369 2.09416 -0.79108
7255.0000 -249.21961 -243.64475 5.57487 2.14582 -243.48825 521.85112
7260.0000 -250.85638 -244.51844 6.33794 2.11321 -244.18129 501.99684
7265.0000 -251.52302 -244.86389 6.65913 2.09077 -244.65836 476.40550
7270.0000 -250.99220 -245.08778 5.90442 2.08896 -244.69691 487.90462
7275.0000 -251.26684 -245.35616 5.91067 2.06613 -245.18199 474.49438
7280.0000 -251.99752 -246.38293 5.61459 2.01442 -246.28120 447.37202
7285.0000 -251.89812 -245.99851 5.89961 2.04079 -245.72067 469.61383
7290.0000 -251.42832 -245.20839 6.21993 2.04912 -245.54362 477.61047
7295.0000 -251.77105 -245.42818 6.34287 2.06098 -245.29157 480.14206
7300.0000 -251.72171 -245.71754 6.00418 2.05556 -245.40671 471.84071
7305.0000 -250.38880 -244.03961 6.34919 2.08368 -244.80907 497.60247
7310.0000 -251.64212 -245.10572 6.53639 2.08911 -244.69359 494.89333
7315.0000 -251.33226 -244.69574 6.63652 2.09432 -244.58295 515.42955
7320.0000 -251.35859 -244.56361 6.79497 2.06691 -245.16552 489.85302
7325.0000 -250.29608 -244.69722 5.59886 2.09311 -244.60858 511.84708
7330.0000 -251.11487 -243.97840 7.13648 2.09707 -244.52443 503.23072
7335.0000 -250.47888 -244.44428 6.03460 2.09902 -244.48304 504.23981
7340.0000 -250.65530 -243.39232 7.26298 2.12600 -243.90957 503.24504
7345.0000 -249.57893 -244.07785 5.50108 2.11542 -244.13436 501.59903
7350.0000 -250.18205 -242.82746 7.35460 2.15735 -243.24314 518.90352
7355.0000 -251.71976 -244.89607 6.82369 2.14045 -243.60224 526.84408
7360.0000 -251.84861 -245.94403 5.90458 2.05614 -245.39447 479.99994
7365.0000 -252.02970 -246.70023 5.32947 1.99808 -246.62862 437.10955
7370.0000 -251.94452 -245.99171 5.95281 2.00757 -246.42695 445.93109
7375.0000 -251.94822 -246.10456 5.84366 2.00797 -246.41829 446.41243
7380.0000 -252.18680 -246.20420 5.98260 2.03088 -245.93146 471.14264
7385.0000 -252.84329 -246.84695 5.99634 2.02387 -246.08031 463.00004
7390.0000 -252.39328 -246.99619 5.39709 1.98665 -246.87148 428.41738
7395.0000 -251.27687 -245.59512 5.68175 2.04925 -245.54080 461.80018
7400.0000 -251.02248 -245.32843 5.69406 2.04314 -245.67079 459.63391
7405.0000 -251.76759 -246.17834 5.58925 2.05352 -245.45012 478.13436
7410.0000 -251.91179 -246.48954 5.42225 2.00559 -246.46887 438.11194
7415.0000 -251.18154 -245.20706 5.97448 2.03827 -245.77426 463.09961
7420.0000 -250.66837 -244.88090 5.78747 2.07056 -245.08803 485.74384
7425.0000 -251.15727 -244.80392 6.35335 2.07281 -245.04001 488.75275
7430.0000 -252.22784 -246.61092 5.61692 2.04702 -245.58826 470.13805
7435.0000 -252.40475 -246.56122 5.84353 1.98206 -246.96915 427.72253
7440.0000 -251.37343 -245.68805 5.68537 2.00766 -246.42490 442.45952
7445.0000 -250.38306 -245.69501 4.68806 2.05307 -245.45961 469.36824
7450.0000 -251.92683 -245.78715 6.13968 2.03589 -245.82480 458.12264
7455.0000 -251.72962 -245.85216 5.87746 2.03280 -245.89054 460.80632
7460.0000 -252.00180 -245.92218 6.07962 2.02396 -246.07843 459.65647
7465.0000 -251.54374 -245.48096 6.06278 2.04781 -245.57152 469.56791
7470.0000 -251.82539 -245.07699 6.74840 2.06690 -245.16571 490.88133
7475.0000 -251.93892 -245.09494 6.84398 2.06444 -245.21795 489.58802
7480.0000 -251.45880 -245.73428 5.72452 2.05147 -245.49365 481.33166
7485.0000 -252.01795 -245.78242 6.23552 2.01299 -246.31165 450.45749
7490.0000 -252.41071 -246.57170 5.83901 2.00227 -246.53955 444.07659
7495.0000 -250.97540 -245.29346 5.68194 2.04768 -245.57428 468.03125
7500.0000 -250.80967 -244.77112 6.03856 2.08976 -244.67980 494.76422
FREEZING PROCESS: loop number 31 T-loop= 459.00000000000000
main_MD> interactions number 31 at Temperature= 459.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41376 -2.46261 -2.03160
force_rgl> df(natom) 0.40889 2.71069 -0.16025
7505.0000 -251.06568 -245.16562 5.90007 2.08087 -244.86869 497.02244
7510.0000 -251.02256 -245.41860 5.60396 2.08522 -244.77629 497.45710
7515.0000 -250.93381 -245.16319 5.77062 2.04668 -245.59554 463.35225
7520.0000 -251.34156 -245.32410 6.01746 2.07066 -245.08575 480.32480
7525.0000 -251.14877 -245.50152 5.64725 2.07224 -245.05226 482.90809
7530.0000 -251.95371 -246.79082 5.16289 2.00336 -246.51634 436.01704
7535.0000 -252.66045 -247.11601 5.54444 1.99644 -246.66339 438.20837
7540.0000 -252.77865 -247.06829 5.71036 1.97083 -247.20787 421.22052
7545.0000 -252.10446 -246.23192 5.87254 1.98908 -246.81980 431.88506
7550.0000 -252.19964 -246.11128 6.08836 2.01189 -246.33500 452.57142
7555.0000 -251.69797 -245.83736 5.86061 2.00062 -246.57460 436.28522
7560.0000 -251.41285 -245.93380 5.47905 2.03402 -245.86471 461.88536
7565.0000 -251.97025 -246.66912 5.30113 2.03654 -245.81106 464.71649
7570.0000 -251.04915 -245.18894 5.86021 2.02834 -245.98531 459.47192
7575.0000 -251.08124 -245.24494 5.83630 2.05714 -245.37321 475.04164
7580.0000 -251.98628 -246.45670 5.52958 2.01954 -246.17243 446.98183
7585.0000 -252.39685 -247.56977 4.82708 1.99529 -246.68781 432.79252
7590.0000 -251.24434 -245.66569 5.57864 2.02294 -246.10004 453.96818
7595.0000 -252.04871 -246.43076 5.61795 2.01041 -246.36654 436.41348
7600.0000 -251.03862 -245.56504 5.47358 2.05074 -245.50917 467.79277
7605.0000 -251.68149 -245.77225 5.90924 2.02724 -246.00882 459.16980
7610.0000 -250.82183 -245.33998 5.48185 2.05463 -245.42664 477.40424
7615.0000 -250.66364 -244.22949 6.43415 2.07055 -245.08806 469.69453
7620.0000 -251.35432 -245.17101 6.18331 2.07668 -244.95786 480.54200
7625.0000 -250.63786 -244.34886 6.28900 2.08022 -244.88256 479.88954
7630.0000 -250.92075 -244.71826 6.20248 2.08559 -244.76840 485.54417
7635.0000 -250.34433 -245.06242 5.28191 2.10956 -244.25893 495.96516
7640.0000 -251.00878 -245.26212 5.74665 2.05842 -245.34592 457.89372
7645.0000 -252.94068 -247.21163 5.72905 2.03577 -245.82733 459.78016
7650.0000 -251.52701 -246.28386 5.24315 1.98077 -246.99643 425.80857
7655.0000 -251.31385 -245.73969 5.57416 2.02250 -246.10944 461.58834
7660.0000 -252.00262 -246.26292 5.73970 2.04665 -245.59617 474.39620
7665.0000 -252.46406 -246.57829 5.88577 2.01650 -246.23707 455.84946
7670.0000 -252.46954 -247.13832 5.33122 2.00389 -246.50502 445.47271
7675.0000 -252.87344 -246.72870 6.14474 2.00074 -246.57200 436.83992
7680.0000 -251.77972 -246.33871 5.44101 1.97893 -247.03569 429.04427
7685.0000 -251.88234 -246.23373 5.64860 2.02480 -246.06071 454.59917
7690.0000 -251.94911 -245.63106 6.31805 2.01878 -246.18850 447.40829
7695.0000 -252.10675 -246.90004 5.20671 2.00545 -246.47185 450.55097
7700.0000 -252.66650 -246.86184 5.80465 1.97382 -247.14420 427.62657
7705.0000 -252.12167 -246.39742 5.72426 2.00095 -246.56753 449.36983
7710.0000 -251.27765 -245.52901 5.74864 2.01878 -246.18855 459.60144
7715.0000 -252.08637 -245.95559 6.13079 2.04328 -245.66781 478.91811
7720.0000 -251.77678 -246.23083 5.54595 2.00909 -246.39452 451.93880
7725.0000 -251.75846 -245.48753 6.27093 2.03230 -245.90118 465.94902
7730.0000 -251.37896 -245.35008 6.02888 2.05126 -245.49825 467.63411
7735.0000 -251.41266 -246.07047 5.34219 2.04503 -245.63068 472.01890
7740.0000 -252.23573 -246.26215 5.97358 2.02656 -246.02318 452.79074
7745.0000 -252.10445 -246.11123 5.99322 2.02573 -246.04085 452.40192
7750.0000 -252.29681 -246.96485 5.33196 2.01517 -246.26531 450.80081
FREEZING PROCESS: loop number 32 T-loop= 434.00000000000000
main_MD> interactions number 32 at Temperature= 434.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45745 0.02035 1.01420
force_rgl> df(natom) 0.69496 0.32162 -1.95147
7755.0000 -251.77253 -246.40811 5.36441 1.98959 -246.80912 426.50135
7760.0000 -252.11777 -246.98150 5.13628 1.99025 -246.79497 424.79735
7765.0000 -251.89884 -246.46242 5.43642 2.00671 -246.44513 434.55539
7770.0000 -251.20250 -245.95792 5.24458 2.01782 -246.20904 450.78764
7775.0000 -251.56912 -246.15255 5.41657 2.01791 -246.20702 453.38548
7780.0000 -252.09419 -246.16884 5.92535 2.03254 -245.89602 461.87713
7785.0000 -251.87740 -246.58630 5.29110 2.02943 -245.96226 463.79302
7790.0000 -252.59238 -246.82718 5.76520 2.00150 -246.55582 437.86513
7795.0000 -253.43596 -247.61503 5.82093 1.97703 -247.07594 425.61030
7800.0000 -251.69898 -246.67441 5.02457 1.97729 -247.07048 432.10641
7805.0000 -251.30296 -246.40549 4.89747 1.98374 -246.93348 429.27104
7810.0000 -252.37916 -246.99002 5.38914 2.00467 -246.48855 443.01584
7815.0000 -251.75458 -246.14774 5.60684 1.99735 -246.64399 439.60038
7820.0000 -252.09065 -246.59245 5.49821 1.99138 -246.77088 441.20000
7825.0000 -252.97259 -247.41847 5.55411 1.97664 -247.08428 429.84056
7830.0000 -252.35500 -246.64981 5.70520 2.00705 -246.43785 452.17218
7835.0000 -252.03514 -246.78013 5.25501 2.00039 -246.57957 440.79122
7840.0000 -252.59749 -246.53888 6.05861 2.02070 -246.14765 460.53958
7845.0000 -252.28486 -246.31324 5.97162 2.00076 -246.57159 441.85074
7850.0000 -252.65251 -246.63292 6.01959 2.01050 -246.36465 449.92352
7855.0000 -252.97808 -247.74379 5.23429 1.95927 -247.45350 410.46611
7860.0000 -252.99599 -247.96148 5.03451 1.93055 -248.06393 394.52932
7865.0000 -252.48623 -247.46466 5.02157 1.93827 -247.89994 399.66988
7870.0000 -252.44221 -247.24160 5.20061 1.95676 -247.50689 414.60437
7875.0000 -252.05243 -247.16150 4.89094 1.98108 -246.99001 431.36782
7880.0000 -251.57486 -246.49247 5.08239 2.00451 -246.49194 452.85375
7885.0000 -252.06910 -246.91098 5.15812 1.98901 -246.82127 435.11405
7890.0000 -252.60819 -247.02262 5.58557 1.97287 -247.16445 425.03657
7895.0000 -252.97206 -247.90774 5.06432 1.96248 -247.38535 416.94392
7900.0000 -252.83076 -247.33561 5.49514 1.95332 -247.57990 411.72314
7905.0000 -252.55378 -246.69094 5.86284 1.99181 -246.76193 445.92234
7910.0000 -251.64458 -246.72922 4.91536 2.00609 -246.45836 447.70190
7915.0000 -252.13900 -247.19205 4.94695 1.96425 -247.34774 414.29019
7920.0000 -253.36438 -247.45166 5.91271 1.97642 -247.08887 426.80508
7925.0000 -252.71862 -247.13791 5.58070 1.96857 -247.25577 416.97833
7930.0000 -253.68250 -248.16400 5.51850 1.94642 -247.72656 409.44007
7935.0000 -253.29817 -247.97567 5.32250 1.94153 -247.83056 403.40196
7940.0000 -252.98795 -247.04652 5.94143 1.97109 -247.20216 424.39783
7945.0000 -252.04308 -245.79666 6.24642 2.00759 -246.42639 447.49745
7950.0000 -252.69673 -247.24747 5.44926 1.99648 -246.66251 433.96264
7955.0000 -252.44253 -247.92517 4.51736 1.96967 -247.23239 417.00349
7960.0000 -252.49760 -247.15084 5.34677 1.94541 -247.74819 399.83045
7965.0000 -253.00638 -248.15100 4.85538 1.95382 -247.56942 406.65517
7970.0000 -251.97470 -246.82812 5.14658 1.94903 -247.67110 403.71464
7975.0000 -252.57324 -247.45817 5.11507 1.95815 -247.47743 407.03184
7980.0000 -252.62159 -247.49179 5.12979 1.98339 -246.94076 416.11104
7985.0000 -252.18556 -246.26916 5.91640 2.00086 -246.56955 439.93769
7990.0000 -252.78164 -247.38673 5.39491 2.01467 -246.27583 453.30680
7995.0000 -250.66616 -244.76315 5.90301 1.99532 -246.68730 437.52175
8000.0000 -252.60631 -246.74705 5.85926 2.02830 -245.98624 458.75567
FREEZING PROCESS: loop number 33 T-loop= 409.00000000000000
main_MD> interactions number 33 at Temperature= 409.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09835 -1.68876 -1.43614
force_rgl> df(natom) 0.73063 0.31235 0.64366
8005.0000 -252.20595 -246.35167 5.85428 2.01199 -246.33293 449.59028
8010.0000 -252.33719 -246.11343 6.22377 2.02112 -246.13892 454.99926
8015.0000 -251.59596 -245.96863 5.62732 2.01625 -246.24243 454.03180
8020.0000 -252.08860 -246.86972 5.21888 1.99285 -246.73976 439.84454
8025.0000 -251.72615 -246.81809 4.90806 1.97777 -247.06028 423.82631
8030.0000 -251.66606 -247.08145 4.58461 1.97627 -247.09217 424.83938
8035.0000 -252.83944 -246.49897 6.34047 1.99108 -246.77739 433.24711
8040.0000 -252.16226 -247.17214 4.99012 1.97698 -247.07699 422.66659
8045.0000 -252.89838 -248.05672 4.84166 1.95864 -247.46697 406.27411
8050.0000 -251.44647 -246.59864 4.84783 1.96696 -247.29011 410.12203
8055.0000 -252.31367 -246.88535 5.42831 1.97850 -247.04478 426.13166
8060.0000 -252.74384 -247.42718 5.31666 1.96347 -247.36434 408.82435
8065.0000 -253.13134 -248.22444 4.90690 1.94077 -247.84684 396.75801
8070.0000 -252.89534 -248.47323 4.42211 1.91939 -248.30114 380.37300
8075.0000 -252.65249 -247.18632 5.46617 1.94199 -247.82089 396.78985
8080.0000 -252.58676 -246.70112 5.88565 1.98831 -246.83625 430.61854
8085.0000 -252.07453 -247.10882 4.96570 1.98130 -246.98534 425.09705
8090.0000 -252.52440 -246.91249 5.61192 1.99076 -246.78420 428.78835
8095.0000 -252.89306 -247.72075 5.17232 1.96681 -247.29324 414.06616
8100.0000 -252.93316 -247.67119 5.26197 1.94215 -247.81741 393.45547
8105.0000 -251.98051 -247.04991 4.93059 1.95056 -247.63856 398.11665
8110.0000 -252.66172 -247.69249 4.96923 1.97355 -247.15005 414.31493
8115.0000 -252.84528 -248.05595 4.78932 1.94606 -247.73425 388.88187
8120.0000 -253.06899 -248.69162 4.37736 1.91195 -248.45942 369.74637
8125.0000 -253.54642 -248.30094 5.24549 1.89859 -248.74341 364.06800
8130.0000 -253.47982 -248.64540 4.83442 1.92241 -248.23693 377.79429
8135.0000 -252.40022 -247.07501 5.32520 1.93660 -247.93537 392.24534
8140.0000 -252.66197 -247.54294 5.11902 1.95064 -247.63692 398.06230
8145.0000 -252.91905 -247.72941 5.18964 1.95650 -247.51244 399.31242
8150.0000 -252.16390 -247.65138 4.51252 1.92970 -248.08205 387.90725
8155.0000 -252.97553 -247.61241 5.36312 1.95872 -247.46526 409.64701
8160.0000 -253.45550 -248.29155 5.16395 1.92637 -248.15274 382.09842
8165.0000 -253.59171 -248.93549 4.65621 1.92535 -248.17449 385.67919
8170.0000 -252.41437 -246.65606 5.75831 1.97054 -247.21406 420.87854
8175.0000 -251.46218 -246.28341 5.17878 2.00349 -246.51359 445.08518
8180.0000 -251.99203 -246.90279 5.08924 2.00134 -246.55920 440.75484
8185.0000 -252.87450 -247.13554 5.73897 1.94976 -247.65574 403.45507
8190.0000 -252.64640 -247.92423 4.72217 1.96690 -247.29131 412.14539
8195.0000 -253.33434 -247.40648 5.92786 1.93191 -248.03507 392.84799
8200.0000 -252.80962 -247.30731 5.50231 1.97533 -247.11216 423.43742
8205.0000 -253.20256 -247.98805 5.21451 1.95797 -247.48117 415.22481
8210.0000 -253.23836 -248.43392 4.80444 1.91299 -248.43727 376.16733
8215.0000 -252.97271 -247.89848 5.07423 1.91973 -248.29394 381.77817
8220.0000 -252.82095 -247.82940 4.99154 1.94248 -247.81047 399.99626
8225.0000 -252.68550 -247.62595 5.05956 1.93771 -247.91180 400.25563
8230.0000 -253.04250 -248.03526 5.00724 1.93688 -247.92950 402.04736
8235.0000 -253.40386 -248.59066 4.81320 1.92785 -248.12138 396.84535
8240.0000 -252.56623 -247.66555 4.90068 1.93176 -248.03831 396.27104
8245.0000 -253.35824 -248.25569 5.10255 1.94171 -247.82675 402.21294
8250.0000 -252.52594 -247.21280 5.31315 1.93904 -247.88355 398.49274
FREEZING PROCESS: loop number 34 T-loop= 384.00000000000000
main_MD> interactions number 34 at Temperature= 384.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46095 1.43482 -1.01512
force_rgl> df(natom) -0.27779 -0.11669 -2.02408
8255.0000 -252.72212 -247.86408 4.85803 1.93682 -247.93076 400.79116
8260.0000 -253.52954 -248.91561 4.61392 1.90918 -248.51826 379.81482
8265.0000 -253.51151 -249.48778 4.02373 1.89844 -248.74645 376.05271
8270.0000 -253.64224 -248.44344 5.19880 1.89028 -248.91994 371.67040
8275.0000 -253.09732 -248.27022 4.82711 1.91214 -248.45531 390.17588
8280.0000 -252.99833 -248.72449 4.27384 1.91003 -248.50023 380.71166
8285.0000 -253.37958 -248.79438 4.58520 1.89483 -248.82316 374.16488
8290.0000 -253.95319 -248.25214 5.70105 1.90804 -248.54241 382.46725
8295.0000 -253.45178 -248.05422 5.39756 1.91388 -248.41824 387.34355
8300.0000 -252.89139 -247.86709 5.02430 1.92838 -248.11010 399.92417
8305.0000 -253.11850 -247.36302 5.75548 1.95283 -247.59042 418.48922
8310.0000 -253.50565 -248.55234 4.95331 1.93309 -248.00997 400.78413
8315.0000 -253.99143 -248.47824 5.51319 1.91815 -248.32752 389.58977
8320.0000 -253.38709 -248.54325 4.84384 1.92145 -248.25739 392.09920
8325.0000 -252.38561 -247.30785 5.07776 1.93242 -248.02420 397.79469
8330.0000 -253.25252 -247.82418 5.42834 1.96142 -247.40780 418.21298
8335.0000 -253.19921 -248.13168 5.06753 1.91957 -248.29741 390.65701
8340.0000 -253.50417 -248.36679 5.13738 1.92929 -248.09069 400.67962
8345.0000 -253.68226 -249.06276 4.61950 1.90133 -248.68507 378.74422
8350.0000 -253.17391 -249.14938 4.02453 1.88248 -249.08576 362.86306
8355.0000 -253.39193 -248.83017 4.56176 1.88072 -249.12310 364.16580
8360.0000 -253.62715 -249.25947 4.36768 1.90134 -248.68488 377.56886
8365.0000 -253.61631 -248.14924 5.46706 1.87041 -249.34235 352.32878
8370.0000 -253.81833 -248.96308 4.85524 1.90772 -248.54920 385.97091
8375.0000 -253.65607 -248.35563 5.30044 1.88711 -248.98745 366.08375
8380.0000 -252.75479 -247.59658 5.15821 1.92199 -248.24590 392.34754
8385.0000 -253.63715 -249.27959 4.35756 1.89727 -248.77144 374.23927
8390.0000 -254.14861 -250.16898 3.97963 1.86623 -249.43129 350.17361
8395.0000 -253.45383 -249.01390 4.43993 1.85895 -249.58595 343.69259
8400.0000 -253.44808 -248.61518 4.83290 1.90264 -248.65714 379.05223
8405.0000 -253.46145 -248.79109 4.67036 1.90101 -248.69198 375.63681
8410.0000 -253.49735 -249.16099 4.33636 1.88794 -248.96969 367.41874
8415.0000 -253.48261 -248.38548 5.09713 1.86614 -249.43317 350.33725
8420.0000 -252.80369 -248.17376 4.62994 1.89883 -248.73825 373.65031
8425.0000 -253.34759 -248.06679 5.28080 1.93725 -247.92156 404.84265
8430.0000 -253.39839 -248.72654 4.67185 1.91497 -248.39519 385.66315
8435.0000 -252.78804 -247.95745 4.83060 1.88724 -248.98450 361.64737
8440.0000 -253.71016 -248.15960 5.55057 1.92659 -248.14807 392.06828
8445.0000 -252.95617 -248.26218 4.69399 1.91353 -248.42569 386.19965
8450.0000 -254.29537 -249.22779 5.06757 1.89493 -248.82115 381.04493
8455.0000 -253.99338 -248.92282 5.07055 1.88501 -249.03202 371.95684
8460.0000 -253.80509 -249.20340 4.60169 1.88033 -249.13147 370.66293
8465.0000 -253.62832 -248.68246 4.94586 1.88678 -248.99434 375.55465
8470.0000 -253.70631 -248.19900 5.50730 1.92150 -248.25630 403.75564
8475.0000 -253.39672 -247.97752 5.41920 1.91695 -248.35313 395.32871
8480.0000 -253.20367 -247.93985 5.26382 1.91962 -248.29624 401.82318
8485.0000 -253.85992 -248.56187 5.29805 1.90800 -248.54333 390.58254
8490.0000 -253.45630 -248.49245 4.96385 1.93003 -248.07498 403.99419
8495.0000 -252.71824 -247.93130 4.78694 1.92534 -248.17484 405.54735
8500.0000 -252.64988 -247.61610 5.03377 1.94044 -247.85381 413.32176
FREEZING PROCESS: loop number 35 T-loop= 359.00000000000000
main_MD> interactions number 35 at Temperature= 359.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.63606 2.68156 -0.44181
force_rgl> df(natom) -1.53172 -1.48367 -1.43751
8505.0000 -253.74662 -248.89758 4.84904 1.88969 -248.93246 380.23169
8510.0000 -253.84651 -249.23369 4.61282 1.86644 -249.42672 358.13738
8515.0000 -253.68596 -249.36705 4.31890 1.86839 -249.38522 360.00919
8520.0000 -253.82889 -248.50908 5.31981 1.88043 -249.12942 367.10606
8525.0000 -252.98955 -248.51763 4.47192 1.90166 -248.67799 380.81579
8530.0000 -253.89319 -248.70374 5.18946 1.89202 -248.88292 375.98648
8535.0000 -253.63287 -249.07145 4.56142 1.89367 -248.84795 379.15469
8540.0000 -254.11554 -249.92419 4.19135 1.87557 -249.23272 366.27771
8545.0000 -254.29842 -250.07373 4.22468 1.84191 -249.94814 338.16380
8550.0000 -254.30937 -249.92998 4.37939 1.83890 -250.01215 338.04934
8555.0000 -254.00355 -249.44960 4.55395 1.85320 -249.70820 350.26384
8560.0000 -253.94849 -249.59781 4.35068 1.85296 -249.71321 349.22263
8565.0000 -254.07157 -249.29735 4.77422 1.85197 -249.73440 350.13389
8570.0000 -253.65277 -248.53723 5.11555 1.89023 -248.92113 378.43254
8575.0000 -253.53489 -249.23011 4.30478 1.89103 -248.90404 378.80668
8580.0000 -254.51779 -249.98722 4.53057 1.84954 -249.78591 345.02135
8585.0000 -254.50837 -250.76724 3.74112 1.81097 -250.60574 316.50456
8590.0000 -254.60002 -250.27528 4.32474 1.81461 -250.52852 319.99097
8595.0000 -254.17148 -249.99964 4.17184 1.83857 -250.01911 342.35625
8600.0000 -253.91479 -248.91830 4.99649 1.87252 -249.29741 363.50478
8605.0000 -253.48636 -249.20257 4.28379 1.89343 -248.85295 380.12926
8610.0000 -252.95578 -248.60550 4.35028 1.87934 -249.15262 366.47797
8615.0000 -254.12802 -249.98483 4.14320 1.87267 -249.29439 362.30689
8620.0000 -253.46169 -248.39274 5.06895 1.86599 -249.43636 358.57645
8625.0000 -253.20925 -248.74018 4.46906 1.88883 -248.95074 372.29746
8630.0000 -253.17520 -248.65492 4.52027 1.89582 -248.80228 385.02676
8635.0000 -253.78042 -248.89197 4.88845 1.89265 -248.86954 378.13468
8640.0000 -254.49176 -249.72707 4.76470 1.86207 -249.51971 356.80728
8645.0000 -254.66181 -250.46040 4.20141 1.82496 -250.30853 334.72924
8650.0000 -253.83843 -249.82124 4.01719 1.84239 -249.93783 342.29274
8655.0000 -253.67249 -249.08222 4.59027 1.86008 -249.56185 352.22754
8660.0000 -253.69480 -248.87454 4.82026 1.86945 -249.36283 360.20143
8665.0000 -253.84264 -249.20834 4.63430 1.87294 -249.28865 364.28919
8670.0000 -254.35570 -250.32898 4.02672 1.84435 -249.89628 342.90371
8675.0000 -253.85971 -249.34642 4.51329 1.85801 -249.60592 352.06077
8680.0000 -253.97725 -249.14119 4.83606 1.88651 -249.00005 373.82362
8685.0000 -253.99109 -249.50295 4.48814 1.86674 -249.42037 357.94267
8690.0000 -254.57080 -249.88977 4.68103 1.87602 -249.22301 365.12009
8695.0000 -253.84174 -248.93529 4.90645 1.86897 -249.37298 362.42825
8700.0000 -253.57079 -249.13199 4.43880 1.87064 -249.33737 361.13645
8705.0000 -254.10984 -249.78169 4.32815 1.86146 -249.53268 354.33079
8710.0000 -254.48675 -249.30358 5.18317 1.86204 -249.52029 357.90281
8715.0000 -254.72949 -249.77619 4.95331 1.85566 -249.65589 352.70432
8720.0000 -254.14199 -249.39753 4.74446 1.86397 -249.47927 355.52251
8725.0000 -254.19333 -250.27533 3.91800 1.84906 -249.79611 346.84719
8730.0000 -254.25731 -249.77923 4.47807 1.83247 -250.14885 339.75247
8735.0000 -254.33725 -249.01741 5.31984 1.87835 -249.17358 366.09822
8740.0000 -254.57390 -249.64256 4.93133 1.88015 -249.13522 369.25610
8745.0000 -254.40982 -249.17731 5.23251 1.89463 -248.82755 379.51733
8750.0000 -253.81202 -248.75389 5.05812 1.89040 -248.91739 379.81075
FREEZING PROCESS: loop number 36 T-loop= 334.00000000000000
main_MD> interactions number 36 at Temperature= 334.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53629 1.45788 -0.91858
force_rgl> df(natom) 1.27628 1.03342 0.83960
8755.0000 -254.07189 -250.10199 3.96990 1.86517 -249.45364 357.26788
8760.0000 -254.45902 -250.39661 4.06241 1.81647 -250.48882 318.44752
8765.0000 -254.05401 -249.89220 4.16181 1.82981 -250.20535 329.29239
8770.0000 -254.32246 -249.87828 4.44418 1.85479 -249.67444 348.86662
8775.0000 -254.44924 -250.70059 3.74864 1.83724 -250.04741 336.59778
8780.0000 -254.04503 -249.57977 4.46526 1.82374 -250.33432 326.97178
8785.0000 -254.27332 -250.18871 4.08461 1.83465 -250.10240 332.52698
8790.0000 -254.19072 -249.97107 4.21964 1.83873 -250.01576 337.67411
8795.0000 -254.04914 -250.22078 3.82836 1.82539 -250.29924 327.24002
8800.0000 -254.32783 -250.36718 3.96064 1.84557 -249.87026 342.56644
8805.0000 -254.80065 -250.34272 4.45793 1.81683 -250.48128 319.31301
8810.0000 -255.04049 -251.47607 3.56442 1.80676 -250.69535 312.03216
8815.0000 -254.83313 -250.76990 4.06324 1.79581 -250.92808 307.75135
8820.0000 -255.34102 -250.68154 4.65948 1.83201 -250.15855 331.05837
8825.0000 -254.81698 -250.85334 3.96364 1.81411 -250.53899 318.41127
8830.0000 -253.91968 -250.23737 3.68230 1.81421 -250.53700 318.44374
8835.0000 -254.35676 -250.29932 4.05744 1.83038 -250.19327 329.60134
8840.0000 -254.45256 -249.95119 4.50137 1.82957 -250.21043 329.72090
8845.0000 -254.25802 -249.47273 4.78529 1.86029 -249.55753 354.17711
8850.0000 -254.55321 -249.62045 4.93276 1.87222 -249.30396 365.20412
8855.0000 -254.76734 -250.53358 4.23376 1.84535 -249.87499 340.71696
8860.0000 -254.10170 -249.56268 4.53902 1.83376 -250.12141 333.63913
8865.0000 -254.58514 -250.05961 4.52553 1.84760 -249.82711 345.49844
8870.0000 -253.90032 -250.47399 3.42633 1.82545 -250.29807 326.85543
8875.0000 -254.08450 -250.79768 3.28682 1.80329 -250.76897 311.56157
8880.0000 -254.36793 -250.30108 4.06685 1.81533 -250.51320 317.93846
8885.0000 -253.86241 -249.96028 3.90213 1.84359 -249.91243 339.85924
8890.0000 -253.77722 -249.85899 3.91824 1.83247 -250.14871 332.12496
8895.0000 -253.95548 -249.90405 4.05143 1.85046 -249.76633 345.17632
8900.0000 -254.31852 -250.20396 4.11456 1.82088 -250.39524 322.00618
8905.0000 -253.91954 -249.32315 4.59638 1.84397 -249.90435 340.31244
8910.0000 -254.48256 -250.20091 4.28165 1.83560 -250.08230 336.22698
8915.0000 -254.21547 -250.21398 4.00149 1.83603 -250.07320 335.04102
8920.0000 -254.14449 -250.46298 3.68151 1.81192 -250.58555 315.31147
8925.0000 -254.45950 -249.83590 4.62359 1.82942 -250.21365 328.81585
8930.0000 -254.61488 -250.70943 3.90545 1.83381 -250.12038 333.70365
8935.0000 -254.47622 -249.77738 4.69884 1.84501 -249.88234 341.65418
8940.0000 -254.01194 -249.43946 4.57248 1.85944 -249.57542 353.85401
8945.0000 -254.11208 -250.21193 3.90014 1.84739 -249.83170 344.17338
8950.0000 -254.95048 -250.37320 4.57728 1.83065 -250.18752 331.34664
8955.0000 -253.95437 -250.20120 3.75316 1.81922 -250.43035 323.12457
8960.0000 -254.75468 -251.00352 3.75116 1.78913 -251.07010 297.89175
8965.0000 -254.08517 -250.71419 3.37098 1.79050 -251.04101 299.65911
8970.0000 -254.69948 -250.68142 4.01806 1.79542 -250.93630 303.02464
8975.0000 -254.34152 -250.20114 4.14038 1.83891 -250.01188 338.34163
8980.0000 -254.06369 -250.64820 3.41549 1.83159 -250.16751 328.42822
8985.0000 -253.79510 -250.38856 3.40654 1.81335 -250.55523 317.18671
8990.0000 -254.32722 -249.92160 4.40562 1.82788 -250.24628 329.23882
8995.0000 -254.68327 -250.76986 3.91342 1.84266 -249.93228 338.91857
9000.0000 -254.35974 -250.18702 4.17271 1.81387 -250.54410 317.81049
FREEZING PROCESS: loop number 37 T-loop= 309.00000000000000
main_MD> interactions number 37 at Temperature= 309.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29378 -1.46997 -1.19002
force_rgl> df(natom) -0.02936 1.36898 -0.18201
9005.0000 -254.73088 -250.59921 4.13166 1.82534 -250.30034 325.83362
9010.0000 -254.45947 -250.69701 3.76246 1.81556 -250.50829 319.23309
9015.0000 -254.92325 -250.76730 4.15594 1.78620 -251.13239 296.75207
9020.0000 -254.89296 -251.86005 3.03291 1.78607 -251.13503 296.92834
9025.0000 -254.44649 -250.18596 4.26054 1.77998 -251.26451 291.74880
9030.0000 -254.85628 -250.79708 4.05920 1.79475 -250.95064 304.88913
9035.0000 -254.96405 -250.88236 4.08169 1.79306 -250.98656 300.92319
9040.0000 -254.78166 -251.32839 3.45327 1.79304 -250.98690 303.02231
9045.0000 -255.16194 -250.62510 4.53684 1.78801 -251.09385 298.68785
9050.0000 -255.13738 -251.20253 3.93485 1.79039 -251.04323 300.82127
9055.0000 -254.27213 -250.90492 3.36720 1.78732 -251.10855 298.10152
9060.0000 -254.55380 -250.76715 3.78665 1.80195 -250.79750 308.19316
9065.0000 -254.88846 -251.07025 3.81822 1.80836 -250.66137 313.81684
9070.0000 -255.36896 -251.91352 3.45544 1.76550 -251.57224 279.36659
9075.0000 -254.71882 -250.83814 3.88069 1.78206 -251.22028 291.42399
9080.0000 -254.53029 -251.01256 3.51772 1.80697 -250.69087 312.51220
9085.0000 -254.95201 -251.26602 3.68599 1.79768 -250.88829 304.08198
9090.0000 -254.22243 -250.44537 3.77707 1.80672 -250.69612 312.59680
9095.0000 -255.02418 -250.98794 4.03624 1.80292 -250.77700 311.12248
9100.0000 -255.17230 -251.51652 3.65578 1.79075 -251.03554 302.60005
9105.0000 -255.06201 -250.93811 4.12389 1.79579 -250.92839 304.46300
9110.0000 -255.13023 -251.29686 3.83337 1.79148 -251.02010 301.98858
9115.0000 -255.30655 -251.35336 3.95319 1.79155 -251.01863 299.02382
9120.0000 -255.47959 -251.20949 4.27010 1.77238 -251.42615 285.60137
9125.0000 -255.32507 -251.82859 3.49647 1.77978 -251.26868 293.82524
9130.0000 -255.19157 -251.42838 3.76319 1.77503 -251.36977 286.45889
9135.0000 -255.15598 -251.17141 3.98457 1.78744 -251.10606 298.05788
9140.0000 -254.78686 -250.57578 4.21109 1.79561 -250.93229 303.80352
9145.0000 -254.87776 -250.90823 3.96954 1.80323 -250.77026 309.54092
9150.0000 -254.79142 -250.92294 3.86848 1.80011 -250.83656 310.11936
9155.0000 -254.99093 -250.99019 4.00074 1.81571 -250.50512 318.24016
9160.0000 -254.82361 -250.78889 4.03472 1.81188 -250.58644 315.88746
9165.0000 -254.14757 -250.51814 3.62943 1.80575 -250.71671 312.95640
9170.0000 -254.98323 -251.80817 3.17506 1.79213 -251.00616 301.02394
9175.0000 -254.91659 -251.37666 3.53992 1.76131 -251.66141 277.46207
9180.0000 -254.72392 -251.15640 3.56752 1.78369 -251.18574 296.13404
9185.0000 -255.45553 -252.02542 3.43011 1.77291 -251.41484 284.66657
9190.0000 -254.25360 -249.98166 4.27195 1.78652 -251.12543 294.68030
9195.0000 -254.43468 -250.41239 4.02229 1.81231 -250.57729 315.97737
9200.0000 -254.88394 -250.44657 4.43738 1.81094 -250.60654 313.85696
9205.0000 -254.06768 -249.82507 4.24261 1.84631 -249.85458 343.59945
9210.0000 -254.75819 -250.59609 4.16210 1.81874 -250.44056 323.41802
9215.0000 -254.75148 -250.45966 4.29182 1.82295 -250.35111 325.94666
9220.0000 -254.68580 -250.47674 4.20905 1.80409 -250.75211 309.26744
9225.0000 -255.09863 -251.44740 3.65123 1.79048 -251.04137 299.81757
9230.0000 -254.67240 -250.80492 3.86747 1.78156 -251.23085 295.55164
9235.0000 -254.40958 -250.20371 4.20587 1.80500 -250.73267 312.27449
9240.0000 -254.43094 -249.94712 4.48382 1.83859 -250.01879 336.93724
9245.0000 -254.60322 -250.68522 3.91800 1.80834 -250.66164 312.93233
9250.0000 -254.75211 -250.26936 4.48275 1.81850 -250.44577 320.98698
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 18 [min], 19.2966981 [s].
main_MD> Deallocating global variables
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