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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_48/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_48.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 = 48 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: 48 4800
main_MD> Size of nv and nvoiz: 48 4800
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 = 48
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> 0.14099748519023811 3.5459843875057594E-002 -0.12006618635971004 initial drift of cluster / NP1 for coalescence
init> 0.32745102489500266 0.31506910636548102 0.29765174509887560 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7577740037471690E-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) -0.70032 -0.00693 0.27197
force_rgl> df(natom) -3.16718 1.61038 -1.05159
preparo> THERMALIZATION PROCESS AT 1224.0645673177773
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -105.33557559305783 7.5825060910738831 -112.91808168413171 5.9729225577906451E-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= 1200.0000000000000
main_MD> interactions number 1 at Temperature= 1200.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.23561 2.91733 5.02953
force_rgl> df(natom) 4.18401 3.09861 4.75888
5.0000 -110.21630 -101.46124 8.75506 2.88898 -103.44316 1217.68549
10.0000 -110.40717 -102.80529 7.60189 3.02362 -101.66492 1316.57601
15.0000 -111.21965 -103.47042 7.74923 2.92607 -102.95326 1210.77292
20.0000 -113.10728 -106.18831 6.91897 2.94579 -102.69286 1220.87373
25.0000 -110.18524 -103.65793 6.52731 2.85845 -103.84636 1167.28965
30.0000 -111.37251 -105.42810 5.94440 2.87180 -103.67015 1194.21983
35.0000 -112.64960 -105.20091 7.44870 2.73709 -105.44929 1124.28952
40.0000 -111.37245 -103.18293 8.18952 2.80808 -104.51169 1136.29006
45.0000 -111.64318 -105.78029 5.86289 2.83623 -104.13988 1140.16953
50.0000 -109.75558 -104.07102 5.68456 2.69966 -105.94374 1024.20237
55.0000 -111.41835 -104.17531 7.24304 2.88281 -103.52474 1205.18592
60.0000 -110.13525 -102.62644 7.50881 2.89020 -103.42710 1225.36108
65.0000 -111.94079 -104.37961 7.56118 2.97886 -102.25603 1219.56993
70.0000 -111.20875 -103.63531 7.57344 2.74773 -105.30881 1089.40733
75.0000 -110.67398 -103.11937 7.55462 2.88205 -103.53476 1232.81907
80.0000 -111.33479 -104.35711 6.97768 2.88105 -103.54798 1196.03492
85.0000 -110.28318 -102.89780 7.38538 2.83166 -104.20028 1113.70255
90.0000 -108.97427 -101.21481 7.75946 3.02943 -101.58811 1308.70539
95.0000 -111.34729 -102.27175 9.07555 3.06928 -101.06179 1309.12902
100.0000 -110.63569 -101.95145 8.68424 2.97135 -102.35527 1293.26297
105.0000 -110.48361 -103.96389 6.51972 2.95111 -102.62262 1261.34674
110.0000 -110.14906 -103.01210 7.13696 2.90190 -103.27249 1222.93983
115.0000 -110.82674 -102.59813 8.22861 2.98045 -102.23514 1284.25095
120.0000 -111.82142 -104.31197 7.50945 2.86133 -103.80845 1196.13626
125.0000 -110.99404 -102.97017 8.02387 2.89078 -103.41943 1211.35876
130.0000 -109.76654 -102.37351 7.39303 2.96209 -102.47764 1230.09679
135.0000 -109.76948 -103.09367 6.67581 2.92074 -103.02373 1228.30084
140.0000 -112.20456 -104.84665 7.35791 2.89247 -103.39710 1203.61824
145.0000 -111.58694 -104.25914 7.32780 2.80191 -104.59314 1117.56728
150.0000 -112.66037 -105.08541 7.57496 2.85521 -103.88922 1175.47571
155.0000 -111.19246 -103.71661 7.47585 2.85430 -103.90120 1146.87688
160.0000 -110.96944 -104.56097 6.40847 2.82759 -104.25400 1150.74135
165.0000 -110.99671 -103.25137 7.74534 2.81913 -104.36580 1130.07074
170.0000 -109.70013 -100.99453 8.70559 3.02546 -101.64063 1310.93342
175.0000 -110.17100 -102.67907 7.49193 3.01635 -101.76094 1257.86767
180.0000 -109.79636 -102.35789 7.43847 3.00700 -101.88446 1259.50605
185.0000 -108.77455 -101.72538 7.04917 3.02417 -101.65765 1330.59495
190.0000 -109.54060 -100.35250 9.18810 3.10925 -100.53394 1356.12523
195.0000 -108.87147 -100.05414 8.81734 3.10967 -100.52836 1320.53374
200.0000 -111.00264 -102.51968 8.48296 3.03876 -101.46494 1257.94369
205.0000 -111.76163 -103.99139 7.77024 2.95473 -102.57476 1260.57970
210.0000 -113.34641 -106.09156 7.25484 2.77355 -104.96779 1086.78983
215.0000 -110.82263 -103.48109 7.34154 2.71796 -105.70194 1058.78161
220.0000 -112.40933 -103.82046 8.58887 2.85965 -103.83053 1245.08675
225.0000 -112.11956 -103.81902 8.30054 2.87333 -103.64985 1160.37369
230.0000 -110.08335 -102.34658 7.73678 2.84537 -104.01914 1158.24441
235.0000 -110.69168 -102.93768 7.75400 2.97396 -102.32086 1250.22951
240.0000 -109.59474 -103.55131 6.04342 2.97331 -102.32934 1244.03126
245.0000 -110.56501 -101.96056 8.60445 2.92356 -102.98646 1261.84204
250.0000 -110.62846 -103.63052 6.99794 2.89499 -103.36376 1220.01432
FREEZING PROCESS: loop number 2 T-loop= 1175.0000000000000
main_MD> interactions number 2 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00368 1.18361 0.93891
force_rgl> df(natom) 4.26441 1.77728 -0.56722
255.0000 -111.89605 -102.81107 9.08498 2.95650 -102.55137 1243.12960
260.0000 -113.34566 -104.94819 8.39747 2.83703 -104.12930 1195.32068
265.0000 -111.75795 -104.81902 6.93893 2.78599 -104.80346 1121.14722
270.0000 -110.60674 -103.29997 7.30677 2.85284 -103.92053 1188.29897
275.0000 -109.75477 -102.80774 6.94702 2.93476 -102.83854 1165.52049
280.0000 -111.50772 -105.08037 6.42735 2.88205 -103.53467 1177.47721
285.0000 -111.77286 -105.16727 6.60559 2.82260 -104.31990 1140.84173
290.0000 -111.58434 -104.94836 6.63598 2.77440 -104.95655 1127.13936
295.0000 -110.17374 -103.33266 6.84108 2.85852 -103.84554 1164.70023
300.0000 -109.78721 -102.20464 7.58257 2.90479 -103.23442 1201.31580
305.0000 -108.84814 -102.67790 6.17024 3.01849 -101.73272 1293.71133
310.0000 -110.50141 -103.76613 6.73529 2.95405 -102.58383 1196.50556
315.0000 -110.07857 -103.15804 6.92053 2.84928 -103.96760 1145.47800
320.0000 -110.71323 -106.00350 4.70973 2.81636 -104.40230 1100.02014
325.0000 -112.30428 -106.29405 6.01023 2.72144 -105.65601 1012.73557
330.0000 -112.63156 -105.39232 7.23923 2.72698 -105.58285 1071.90016
335.0000 -111.97207 -104.00889 7.96318 2.77967 -104.88693 1136.27399
340.0000 -110.33781 -104.27581 6.06200 2.78245 -104.85024 1144.53901
345.0000 -111.80518 -104.59459 7.21059 2.83908 -104.10226 1174.14138
350.0000 -112.27846 -105.73843 6.54003 2.73831 -105.43324 1074.13978
355.0000 -110.84760 -103.70758 7.14003 2.77059 -105.00689 1110.03916
360.0000 -111.02573 -104.01386 7.01188 2.91486 -103.10143 1234.84381
365.0000 -112.69280 -105.72808 6.96472 2.80605 -104.53846 1128.94154
370.0000 -110.46133 -104.63334 5.82799 2.73558 -105.46928 1096.91898
375.0000 -111.39300 -104.65616 6.73683 2.78073 -104.87289 1104.10927
380.0000 -111.19086 -103.62536 7.56549 2.92694 -102.94188 1254.82156
385.0000 -111.10884 -104.82816 6.28068 2.83525 -104.15284 1152.22437
390.0000 -109.37656 -102.24719 7.12937 2.90693 -103.20618 1225.33742
395.0000 -110.24252 -101.09095 9.15157 3.03374 -101.53121 1301.65896
400.0000 -108.53533 -101.35392 7.18141 3.06768 -101.08300 1274.01291
405.0000 -108.87643 -101.15946 7.71696 3.00523 -101.90777 1256.38733
410.0000 -109.89726 -102.53129 7.36597 3.04548 -101.37617 1317.52652
415.0000 -111.88822 -103.61953 8.26870 2.86287 -103.78804 1128.10165
420.0000 -112.45592 -105.48550 6.97042 2.87901 -103.57482 1202.36886
425.0000 -110.92939 -103.67788 7.25151 2.79343 -104.70515 1072.47985
430.0000 -110.49257 -104.62873 5.86384 2.79467 -104.68879 1166.04781
435.0000 -109.83838 -102.83834 7.00005 2.82984 -104.22423 1135.65984
440.0000 -108.71358 -102.54550 6.16808 3.01851 -101.73234 1308.28911
445.0000 -111.37125 -103.91490 7.45635 2.88077 -103.55158 1198.43868
450.0000 -113.12051 -105.57890 7.54162 2.86004 -103.82542 1150.76078
455.0000 -109.26788 -100.99360 8.27429 2.89730 -103.33336 1237.21091
460.0000 -109.63908 -102.34016 7.29892 2.90388 -103.24634 1203.80223
465.0000 -109.92563 -101.52655 8.39908 2.99935 -101.98540 1305.02351
470.0000 -111.05420 -102.06784 8.98636 3.05838 -101.20580 1305.04189
475.0000 -109.67275 -103.49543 6.17732 2.97715 -102.27866 1268.99321
480.0000 -110.41076 -103.26142 7.14933 2.90365 -103.24947 1173.14281
485.0000 -112.27834 -105.74205 6.53628 2.82272 -104.31828 1154.20366
490.0000 -112.87380 -106.62399 6.24981 2.69762 -105.97065 1065.22452
495.0000 -112.80600 -106.23997 6.56603 2.70667 -105.85111 1085.95692
500.0000 -112.52570 -104.55278 7.97292 2.79024 -104.74738 1143.44764
FREEZING PROCESS: loop number 3 T-loop= 1150.0000000000000
main_MD> interactions number 3 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88008 0.41282 -1.35474
force_rgl> df(natom) -3.92532 -1.59229 -5.15862
505.0000 -112.51979 -106.20499 6.31480 2.70933 -105.81592 1050.98832
510.0000 -111.33574 -104.95360 6.38214 2.77699 -104.92229 1115.03906
515.0000 -112.16040 -104.46489 7.69551 2.80754 -104.51881 1118.53645
520.0000 -110.17337 -103.18461 6.98877 2.85736 -103.86077 1179.65886
525.0000 -111.61003 -103.41643 8.19360 2.92730 -102.93702 1223.18255
530.0000 -110.77303 -104.51697 6.25606 2.81823 -104.37770 1162.73390
535.0000 -108.89384 -101.84387 7.04996 2.90816 -103.18983 1237.22924
540.0000 -111.32448 -104.68278 6.64171 2.89636 -103.34568 1205.70408
545.0000 -111.92136 -105.94149 5.97988 2.72511 -105.60749 1090.65924
550.0000 -110.43952 -104.04026 6.39926 2.73869 -105.42816 1072.03125
555.0000 -110.65729 -102.78399 7.87331 2.94241 -102.73754 1260.96606
560.0000 -112.49842 -104.52703 7.97139 2.86548 -103.75360 1193.48135
565.0000 -109.63356 -102.28394 7.34962 2.91765 -103.06450 1158.22120
570.0000 -111.09030 -103.40119 7.68911 2.88841 -103.45078 1194.19106
575.0000 -110.66595 -104.76635 5.89960 2.77029 -105.01079 1093.82987
580.0000 -111.51564 -105.18273 6.33291 2.76444 -105.08807 1082.34740
585.0000 -112.30536 -105.10015 7.20521 2.75164 -105.25713 1105.79370
590.0000 -110.73135 -103.16645 7.56489 2.82895 -104.23600 1123.16420
595.0000 -110.27810 -103.24888 7.02922 2.88480 -103.49835 1210.48519
600.0000 -111.61094 -103.94606 7.66488 2.99469 -102.04701 1304.42176
605.0000 -110.06819 -103.70164 6.36656 2.87061 -103.68583 1226.84949
610.0000 -112.32894 -105.52001 6.80893 2.82711 -104.26035 1144.32037
615.0000 -112.88376 -104.99912 7.88464 2.73847 -105.43103 1117.14732
620.0000 -111.83377 -104.25189 7.58188 2.79990 -104.61969 1160.41693
625.0000 -111.57473 -103.95227 7.62246 2.85651 -103.87204 1157.25997
630.0000 -110.79284 -104.70304 6.08981 2.77188 -104.98986 1105.18664
635.0000 -113.96153 -106.56665 7.39489 2.66832 -106.35761 1073.67063
640.0000 -112.50442 -105.64466 6.85976 2.66044 -106.46165 1018.89681
645.0000 -109.14861 -102.71776 6.43086 2.81838 -104.37572 1118.78878
650.0000 -110.73122 -103.41201 7.31922 2.88153 -103.54164 1167.96596
655.0000 -110.89363 -102.52476 8.36888 2.94429 -102.71272 1241.63375
660.0000 -110.48101 -104.37831 6.10271 2.88062 -103.55356 1192.77517
665.0000 -110.70792 -103.94706 6.76086 2.82375 -104.30475 1157.41894
670.0000 -111.22461 -104.50265 6.72195 2.84916 -103.96908 1176.40045
675.0000 -111.82784 -104.68863 7.13920 2.83626 -104.13954 1172.22135
680.0000 -110.92192 -102.59533 8.32660 2.77741 -104.91677 1123.65352
685.0000 -111.58338 -104.79025 6.79312 2.76933 -105.02348 1118.59293
690.0000 -112.75536 -106.63231 6.12306 2.68491 -106.13846 1039.95730
695.0000 -112.22495 -105.08965 7.13531 2.71955 -105.68101 1055.97351
700.0000 -111.61108 -103.60847 8.00261 2.85920 -103.83646 1171.38338
705.0000 -110.13201 -104.07364 6.05838 2.80317 -104.57660 1097.56870
710.0000 -111.07246 -103.62565 7.44681 2.87097 -103.68106 1197.46185
715.0000 -111.79725 -103.14123 8.65602 2.93107 -102.88724 1229.26768
720.0000 -109.81671 -102.06954 7.74717 2.92861 -102.91983 1242.63365
725.0000 -111.43935 -104.60847 6.83087 2.88476 -103.49890 1213.20719
730.0000 -112.23269 -104.54135 7.69134 2.79708 -104.65693 1136.22843
735.0000 -110.89309 -102.92212 7.97097 2.82712 -104.26023 1153.14670
740.0000 -110.33576 -103.71746 6.61831 2.91812 -103.05826 1225.63421
745.0000 -113.66534 -105.51524 8.15010 2.79413 -104.69594 1112.47607
750.0000 -112.55235 -105.04398 7.50837 2.76484 -105.08284 1077.70064
FREEZING PROCESS: loop number 4 T-loop= 1125.0000000000000
main_MD> interactions number 4 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37183 0.18487 -2.81441
force_rgl> df(natom) 6.51694 -0.61146 -0.05230
755.0000 -109.81047 -102.77632 7.03415 2.86367 -103.77752 1187.07014
760.0000 -110.34568 -103.37602 6.96966 2.90822 -103.18913 1238.48132
765.0000 -109.80977 -102.15086 7.65891 2.94741 -102.67145 1230.62893
770.0000 -110.87552 -105.11158 5.76394 2.86027 -103.82235 1158.82921
775.0000 -112.20956 -105.32394 6.88562 2.78624 -104.80012 1113.94983
780.0000 -112.75721 -106.26476 6.49245 2.69529 -106.00136 1064.01038
785.0000 -112.12310 -104.49077 7.63233 2.72063 -105.66669 1063.19247
790.0000 -112.74296 -105.21072 7.53224 2.79576 -104.67445 1156.58494
795.0000 -110.72430 -103.95108 6.77321 2.80366 -104.57005 1111.19873
800.0000 -109.94768 -102.80089 7.14678 2.93862 -102.78750 1250.33498
805.0000 -110.49853 -104.61516 5.88337 2.82062 -104.34608 1148.59135
810.0000 -109.11398 -101.67676 7.43722 2.93851 -102.78901 1234.08511
815.0000 -110.67857 -101.64057 9.03800 2.99033 -102.10458 1277.01284
820.0000 -110.63597 -103.37125 7.26472 2.94393 -102.71748 1228.82118
825.0000 -111.00305 -103.78343 7.21963 2.85029 -103.95423 1194.29684
830.0000 -111.52155 -105.43105 6.09049 2.81033 -104.48199 1156.20878
835.0000 -112.82629 -105.44139 7.38490 2.79222 -104.72113 1131.64787
840.0000 -110.46513 -104.76597 5.69916 2.74742 -105.31282 1114.60240
845.0000 -111.80622 -104.41877 7.38745 2.81366 -104.43803 1189.70196
850.0000 -114.11480 -107.26416 6.85064 2.70249 -105.90628 1069.71628
855.0000 -112.62479 -105.32754 7.29725 2.72035 -105.67039 1106.52925
860.0000 -111.97364 -105.46618 6.50747 2.71517 -105.73876 1079.29180
865.0000 -110.57834 -103.32125 7.25709 2.73889 -105.42548 1058.85581
870.0000 -112.03462 -102.99945 9.03517 2.89637 -103.34554 1234.76846
875.0000 -113.29488 -106.33886 6.95603 2.78716 -104.78806 1117.43973
880.0000 -112.21403 -106.71334 5.50069 2.58048 -107.51777 973.70482
885.0000 -112.77334 -106.08166 6.69168 2.69570 -105.99602 1034.35405
890.0000 -114.39064 -107.34310 7.04755 2.67766 -106.23420 1087.09238
895.0000 -111.38788 -105.89642 5.49146 2.62846 -106.88402 1008.69984
900.0000 -111.57400 -106.05508 5.51892 2.67505 -106.26873 1040.49032
905.0000 -114.42062 -106.94751 7.47311 2.68391 -106.15172 1020.40281
910.0000 -114.09898 -106.10367 7.99531 2.64680 -106.64179 1058.99312
915.0000 -111.59833 -103.82761 7.77072 2.75612 -105.19802 1075.73204
920.0000 -109.84001 -102.08952 7.75049 2.93778 -102.79864 1205.81779
925.0000 -111.34474 -102.42558 8.91915 2.99752 -102.00958 1240.44740
930.0000 -110.85187 -103.08559 7.76628 2.88766 -103.46065 1213.75959
935.0000 -109.74292 -102.36063 7.38229 2.96303 -102.46520 1228.15524
940.0000 -110.84353 -103.65968 7.18385 2.93043 -102.89578 1234.55186
945.0000 -111.55189 -104.61649 6.93540 2.81569 -104.41115 1146.81939
950.0000 -110.20760 -103.24942 6.95818 2.85532 -103.88782 1168.85103
955.0000 -110.60993 -104.14880 6.46113 2.85857 -103.84480 1144.25430
960.0000 -110.60897 -103.58534 7.02363 2.81528 -104.41654 1157.57763
965.0000 -111.21629 -105.06668 6.14961 2.79902 -104.63135 1108.65315
970.0000 -110.97109 -104.22459 6.74650 2.85186 -103.93352 1158.98551
975.0000 -111.34642 -103.29589 8.05053 2.85286 -103.92022 1168.88960
980.0000 -111.60977 -102.78227 8.82750 2.96571 -102.42971 1248.15409
985.0000 -109.95552 -102.71688 7.23864 2.89943 -103.30521 1170.76109
990.0000 -111.45760 -104.68937 6.76824 2.90702 -103.20499 1233.45595
995.0000 -112.65696 -105.88205 6.77490 2.75227 -105.24878 1111.36214
1000.0000 -110.26817 -104.20044 6.06773 2.80323 -104.57570 1101.00114
FREEZING PROCESS: loop number 5 T-loop= 1100.0000000000000
main_MD> interactions number 5 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.69674 -0.08003 -6.48225
force_rgl> df(natom) -0.10150 -2.09185 -0.95847
1005.0000 -110.24990 -103.56774 6.68216 2.86812 -103.71877 1161.73251
1010.0000 -111.03723 -103.57105 7.46618 2.90165 -103.27580 1228.96198
1015.0000 -110.78742 -103.54974 7.23767 2.85321 -103.91561 1182.72603
1020.0000 -111.81885 -103.56913 8.24973 2.91031 -103.16141 1202.66028
1025.0000 -109.92751 -102.18883 7.73867 2.96161 -102.48393 1238.35111
1030.0000 -109.96083 -102.79574 7.16509 2.94318 -102.72738 1188.32213
1035.0000 -110.51379 -104.87354 5.64025 2.87648 -103.60830 1163.41610
1040.0000 -110.48668 -104.41112 6.07556 2.81993 -104.35520 1128.54991
1045.0000 -112.55721 -105.91419 6.64302 2.75510 -105.21149 1109.23598
1050.0000 -112.40709 -104.87287 7.53422 2.63882 -106.74717 981.71759
1055.0000 -111.46431 -105.02777 6.43654 2.75611 -105.19805 1089.71378
1060.0000 -110.22405 -103.01729 7.20676 2.79441 -104.69228 1143.73672
1065.0000 -110.14849 -102.05221 8.09628 2.92823 -102.92475 1228.69571
1070.0000 -112.21613 -105.98430 6.23182 2.78683 -104.79231 1138.19169
1075.0000 -112.18210 -105.38548 6.79662 2.76558 -105.07307 1095.10812
1080.0000 -110.96460 -103.52563 7.43897 2.79478 -104.68733 1164.46834
1085.0000 -112.86519 -106.59845 6.26674 2.77184 -104.99028 1131.21302
1090.0000 -112.17492 -106.19808 5.97684 2.65771 -106.49772 997.01772
1095.0000 -110.78665 -105.07682 5.70983 2.74547 -105.33865 1044.20592
1100.0000 -111.43918 -105.00125 6.43793 2.78135 -104.86475 1107.78060
1105.0000 -110.62693 -103.47864 7.14829 2.82190 -104.32915 1147.78801
1110.0000 -110.88732 -103.64889 7.23843 2.87251 -103.66076 1127.28512
1115.0000 -111.58996 -104.31579 7.27416 2.84315 -104.04853 1174.03125
1120.0000 -112.83505 -105.26292 7.57213 2.84582 -104.01320 1154.88202
1125.0000 -112.50943 -105.57527 6.93416 2.74030 -105.40697 1090.97022
1130.0000 -111.29942 -103.52859 7.77083 2.89971 -103.30146 1203.23107
1135.0000 -112.36840 -105.02194 7.34646 2.80659 -104.53139 1094.34610
1140.0000 -112.11493 -105.30795 6.80698 2.75656 -105.19211 1071.96287
1145.0000 -112.65666 -105.19365 7.46301 2.77915 -104.89376 1139.62556
1150.0000 -112.66015 -105.64802 7.01213 2.76329 -105.10327 1054.42070
1155.0000 -110.82598 -104.04662 6.77936 2.75783 -105.17535 1111.71122
1160.0000 -111.50867 -104.85986 6.64880 2.82823 -104.24561 1127.27538
1165.0000 -112.01863 -105.11083 6.90780 2.70787 -105.83529 1070.68311
1170.0000 -113.01483 -105.05476 7.96007 2.75014 -105.27694 1119.15049
1175.0000 -111.56944 -104.74640 6.82304 2.81688 -104.39541 1114.24537
1180.0000 -113.73896 -106.52115 7.21781 2.73224 -105.51335 1093.02610
1185.0000 -110.91606 -104.20518 6.71088 2.71033 -105.80278 1030.28146
1190.0000 -110.29051 -103.48578 6.80473 2.80293 -104.57972 1138.22498
1195.0000 -112.44329 -105.10472 7.33857 2.82241 -104.32246 1119.97125
1200.0000 -113.37106 -106.68773 6.68333 2.63664 -106.77606 1006.75844
1205.0000 -112.79708 -106.47532 6.32176 2.67532 -106.26521 1049.21414
1210.0000 -112.35444 -105.03636 7.31808 2.70260 -105.90486 1055.53709
1215.0000 -112.30787 -106.09815 6.20972 2.75294 -105.24001 1115.20041
1220.0000 -111.56705 -105.87184 5.69520 2.78231 -104.85201 1089.49071
1225.0000 -110.98742 -105.12777 5.85964 2.70643 -105.85424 1026.32733
1230.0000 -112.03787 -105.37790 6.65997 2.81046 -104.48030 1126.68389
1235.0000 -112.13781 -104.89313 7.24468 2.71945 -105.68232 1105.69586
1240.0000 -112.67358 -105.56813 7.10545 2.77048 -105.00826 1116.22919
1245.0000 -113.97064 -106.58131 7.38933 2.73371 -105.49392 1102.20191
1250.0000 -112.17273 -105.65892 6.51381 2.67416 -106.28046 1017.90949
FREEZING PROCESS: loop number 6 T-loop= 1075.0000000000000
main_MD> interactions number 6 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10524 2.79593 0.92491
force_rgl> df(natom) 0.07504 -7.67917 -0.70136
1255.0000 -111.03583 -104.18287 6.85295 2.81025 -104.48306 1156.45138
1260.0000 -111.98448 -104.34657 7.63791 2.88361 -103.51413 1156.19026
1265.0000 -111.60503 -105.42166 6.18337 2.76910 -105.02653 1068.91300
1270.0000 -110.06306 -103.84685 6.21621 2.77371 -104.96560 1086.18688
1275.0000 -112.03890 -105.12250 6.91640 2.79403 -104.69732 1115.66217
1280.0000 -110.62092 -103.86790 6.75302 2.80280 -104.58145 1118.86633
1285.0000 -111.27676 -103.94814 7.32862 2.80880 -104.50221 1100.39600
1290.0000 -111.64223 -103.51820 8.12403 2.81295 -104.44741 1142.60060
1295.0000 -113.15939 -106.22463 6.93476 2.76364 -105.09864 1080.42748
1300.0000 -112.91953 -107.00052 5.91901 2.66845 -106.35584 1039.27471
1305.0000 -111.16702 -103.70137 7.46565 2.74526 -105.34146 1053.26594
1310.0000 -112.18260 -106.51939 5.66322 2.80835 -104.50809 1080.02849
1315.0000 -112.39915 -106.33802 6.06114 2.70301 -105.89948 1086.98487
1320.0000 -113.22862 -106.71142 6.51720 2.65915 -106.47872 1035.47944
1325.0000 -112.80677 -105.16770 7.63907 2.70225 -105.90949 1059.70798
1330.0000 -111.58650 -103.27382 8.31268 2.83404 -104.16878 1159.37466
1335.0000 -111.23858 -104.43308 6.80549 2.88773 -103.45977 1189.23055
1340.0000 -111.69008 -103.42001 8.27007 2.85243 -103.92588 1164.31528
1345.0000 -112.54857 -105.97088 6.57769 2.79708 -104.65692 1132.06708
1350.0000 -112.60310 -106.36608 6.23702 2.66995 -106.33609 1024.87306
1355.0000 -113.27655 -107.06357 6.21298 2.65908 -106.47970 1007.36752
1360.0000 -114.17997 -107.99253 6.18744 2.60674 -107.17099 952.62725
1365.0000 -112.81594 -107.07008 5.74586 2.55587 -107.84287 932.38449
1370.0000 -113.49292 -106.11964 7.37327 2.61901 -107.00892 987.45466
1375.0000 -111.00929 -105.02422 5.98508 2.71867 -105.69264 1068.45824
1380.0000 -110.09131 -102.90217 7.18915 2.91670 -103.07706 1237.72203
1385.0000 -112.12014 -106.18438 5.93576 2.71313 -105.76577 1065.30867
1390.0000 -112.57117 -105.61709 6.95408 2.67659 -106.24842 1068.18963
1395.0000 -110.52573 -104.18390 6.34183 2.73878 -105.42705 1018.88235
1400.0000 -112.30495 -104.46424 7.84071 2.82611 -104.27350 1127.53826
1405.0000 -112.52235 -106.65922 5.86313 2.72924 -105.55299 1069.18821
1410.0000 -111.33927 -103.89206 7.44720 2.77726 -104.91881 1095.59976
1415.0000 -111.29133 -103.05931 8.23202 2.87693 -103.60231 1168.14661
1420.0000 -110.11095 -102.41888 7.69208 2.94228 -102.73927 1243.80362
1425.0000 -111.99618 -106.02361 5.97257 2.89659 -103.34274 1188.09590
1430.0000 -112.53146 -106.63974 5.89173 2.67589 -106.25762 1054.07129
1435.0000 -110.58585 -103.41214 7.17371 2.72939 -105.55098 1084.63207
1440.0000 -111.68528 -104.46460 7.22067 2.87715 -103.59944 1211.14754
1445.0000 -113.00364 -105.42708 7.57657 2.71785 -105.70341 1063.89710
1450.0000 -112.46286 -105.65002 6.81284 2.76699 -105.05447 1118.50715
1455.0000 -112.22586 -105.53539 6.69047 2.70824 -105.83038 1068.12774
1460.0000 -110.54926 -103.52274 7.02652 2.80234 -104.58752 1142.24591
1465.0000 -111.48578 -104.75995 6.72583 2.80948 -104.49317 1160.35862
1470.0000 -113.04789 -107.08921 5.95868 2.65949 -106.47429 1015.95764
1475.0000 -111.77097 -106.51670 5.25427 2.60858 -107.14668 932.83307
1480.0000 -112.40566 -104.10817 8.29749 2.70971 -105.81097 1005.52237
1485.0000 -112.45996 -105.50962 6.95034 2.76416 -105.09178 1051.73879
1490.0000 -110.82111 -103.83966 6.98145 2.74094 -105.39842 1072.26332
1495.0000 -110.67090 -103.19624 7.47466 2.96144 -102.48618 1236.13552
1500.0000 -110.53550 -103.48815 7.04735 2.89153 -103.40950 1160.31863
FREEZING PROCESS: loop number 7 T-loop= 1050.0000000000000
main_MD> interactions number 7 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.05269 0.75960 0.39448
force_rgl> df(natom) 3.91038 -1.55050 -2.28517
1505.0000 -113.54371 -106.31691 7.22680 2.75940 -105.15471 1131.35829
1510.0000 -111.46634 -105.33206 6.13428 2.78206 -104.85532 1119.46892
1515.0000 -112.05068 -103.63526 8.41542 2.86003 -103.82555 1148.38564
1520.0000 -111.76823 -104.46322 7.30501 2.78893 -104.76458 1113.43256
1525.0000 -111.67239 -103.91595 7.75644 2.85125 -103.94155 1133.87697
1530.0000 -111.18918 -105.65710 5.53208 2.78092 -104.87038 1117.08471
1535.0000 -112.75146 -106.57403 6.17743 2.71730 -105.71065 1030.11001
1540.0000 -113.46013 -106.45450 7.00563 2.70480 -105.87580 1066.74172
1545.0000 -112.09533 -104.51244 7.58289 2.74143 -105.39198 1079.20388
1550.0000 -112.12216 -105.34988 6.77228 2.74309 -105.37009 1042.72821
1555.0000 -113.26195 -107.53321 5.72874 2.65733 -106.50280 988.84987
1560.0000 -112.91782 -105.95799 6.95982 2.59543 -107.32033 987.28589
1565.0000 -111.94031 -106.26367 5.67664 2.72101 -105.66163 1044.73350
1570.0000 -111.60405 -105.11831 6.48574 2.78137 -104.86453 1120.66032
1575.0000 -112.54708 -106.90345 5.64363 2.70577 -105.86291 1070.95317
1580.0000 -111.89394 -104.83303 7.06091 2.65379 -106.54950 1082.07824
1585.0000 -112.16371 -107.17860 4.98511 2.72938 -105.55112 1080.95747
1590.0000 -111.94365 -105.06382 6.87983 2.67997 -106.20371 1023.89540
1595.0000 -112.30615 -106.62855 5.67760 2.70472 -105.87688 1084.80298
1600.0000 -111.12352 -103.84283 7.28069 2.72484 -105.61116 1049.36509
1605.0000 -112.69766 -105.19293 7.50472 2.79716 -104.65598 1169.04488
1610.0000 -113.81836 -107.59831 6.22005 2.70932 -105.81608 1064.00964
1615.0000 -112.76486 -105.80676 6.95810 2.57981 -107.52660 975.45082
1620.0000 -111.41517 -105.55948 5.85569 2.74278 -105.37412 1105.41876
1625.0000 -113.79979 -107.16413 6.63565 2.65998 -106.46773 1020.98869
1630.0000 -113.45507 -107.31190 6.14317 2.61659 -107.04086 987.92902
1635.0000 -112.06751 -106.81987 5.24764 2.61029 -107.12406 965.60570
1640.0000 -111.71554 -105.75542 5.96012 2.69859 -105.95774 1023.04070
1645.0000 -112.62151 -105.91699 6.70451 2.68547 -106.13109 1027.52851
1650.0000 -111.30578 -103.73759 7.56819 2.76989 -105.01606 1142.02915
1655.0000 -111.61567 -104.76679 6.84887 2.78077 -104.87240 1101.09753
1660.0000 -113.49306 -107.22638 6.26668 2.74266 -105.37577 1091.36985
1665.0000 -113.21410 -106.20221 7.01190 2.64694 -106.64005 1005.44040
1670.0000 -112.36636 -106.50053 5.86583 2.64710 -106.63783 969.93287
1675.0000 -110.30845 -103.68468 6.62377 2.76714 -105.05239 1099.92469
1680.0000 -112.56148 -105.64995 6.91153 2.78496 -104.81708 1120.72087
1685.0000 -113.63871 -107.72292 5.91580 2.65837 -106.48905 1015.43636
1690.0000 -111.83439 -106.40327 5.43112 2.66879 -106.35139 1025.91862
1695.0000 -112.48011 -106.30076 6.17935 2.70449 -105.87984 1045.74511
1700.0000 -111.12136 -103.82782 7.29354 2.80359 -104.57101 1160.38494
1705.0000 -111.77475 -106.70029 5.07446 2.72215 -105.64663 1036.36113
1710.0000 -113.29801 -108.04638 5.25163 2.63204 -106.83680 1026.67603
1715.0000 -114.77185 -108.14165 6.63020 2.49913 -108.59217 889.46179
1720.0000 -112.29649 -107.18228 5.11421 2.64602 -106.65215 1003.46056
1725.0000 -112.95092 -104.75409 8.19683 2.69282 -106.03395 1049.07198
1730.0000 -112.26615 -106.31324 5.95291 2.67277 -106.29886 1012.42878
1735.0000 -114.04326 -105.11845 8.92481 2.72448 -105.61590 1102.31782
1740.0000 -112.07158 -105.87806 6.19352 2.63403 -106.81051 1001.27491
1745.0000 -112.13378 -104.92988 7.20390 2.74821 -105.30250 1091.11597
1750.0000 -111.51773 -102.96593 8.55180 2.82787 -104.25029 1115.56180
FREEZING PROCESS: loop number 8 T-loop= 1025.0000000000000
main_MD> interactions number 8 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92636 1.10354 0.30939
force_rgl> df(natom) 3.12258 0.75679 -1.21770
1755.0000 -111.33714 -105.06552 6.27162 2.87424 -103.63794 1182.68176
1760.0000 -110.97805 -104.05826 6.91979 2.82478 -104.29115 1135.60309
1765.0000 -112.36584 -105.70720 6.65864 2.75972 -105.15046 1072.38166
1770.0000 -110.98575 -104.45678 6.52896 2.79261 -104.71608 1122.46360
1775.0000 -111.85892 -103.94476 7.91416 2.83601 -104.14282 1167.76041
1780.0000 -111.51152 -105.63133 5.88019 2.87080 -103.68331 1191.55582
1785.0000 -112.63920 -104.88912 7.75008 2.70826 -105.83014 1077.26025
1790.0000 -111.84383 -105.20020 6.64363 2.78057 -104.87499 1097.84183
1795.0000 -111.74417 -105.71127 6.03290 2.72190 -105.64989 1051.00256
1800.0000 -112.00466 -104.28243 7.72222 2.77547 -104.94240 1094.05982
1805.0000 -112.53377 -107.03425 5.49952 2.64239 -106.70015 984.98689
1810.0000 -112.61214 -105.93804 6.67410 2.69730 -105.97480 1011.43835
1815.0000 -114.18663 -108.85970 5.32693 2.52843 -108.20519 893.78080
1820.0000 -114.72326 -107.05326 7.67000 2.56195 -107.76255 921.04085
1825.0000 -113.27347 -106.73600 6.53747 2.58663 -107.43650 948.93250
1830.0000 -112.25459 -105.40215 6.85244 2.66114 -106.45248 1018.16961
1835.0000 -111.86001 -105.04143 6.81858 2.70404 -105.88585 1081.58807
1840.0000 -113.59346 -106.83273 6.76073 2.69776 -105.96877 1052.59539
1845.0000 -113.14740 -107.42298 5.72442 2.64944 -106.60697 995.51606
1850.0000 -114.66113 -108.14453 6.51660 2.58296 -107.48507 976.39244
1855.0000 -113.14629 -106.98353 6.16276 2.56714 -107.69401 969.08989
1860.0000 -113.86638 -106.39554 7.47083 2.67024 -106.33226 1042.66456
1865.0000 -112.22530 -105.30567 6.91963 2.71100 -105.79384 1042.88242
1870.0000 -112.17771 -105.67353 6.50419 2.80905 -104.49884 1120.55286
1875.0000 -112.56698 -105.30469 7.26229 2.68953 -106.07742 1025.60433
1880.0000 -111.45440 -104.56410 6.89030 2.77498 -104.94894 1141.78141
1885.0000 -111.73061 -105.69941 6.03120 2.71649 -105.72144 1048.84030
1890.0000 -113.79587 -106.90975 6.88612 2.69526 -106.00183 1071.65053
1895.0000 -113.29342 -107.95354 5.33989 2.53689 -108.09347 922.03594
1900.0000 -112.25900 -106.40355 5.85545 2.60867 -107.14542 983.50089
1905.0000 -112.45235 -106.65950 5.79285 2.60032 -107.25572 927.34144
1910.0000 -112.33157 -106.35169 5.97987 2.56665 -107.70039 944.08617
1915.0000 -112.73267 -105.70579 7.02688 2.64016 -106.72952 1032.74885
1920.0000 -111.95710 -105.87939 6.07770 2.67532 -106.26509 1016.13654
1925.0000 -112.02975 -106.83531 5.19444 2.63482 -106.80006 969.13961
1930.0000 -112.08213 -105.38193 6.70020 2.67023 -106.33233 1030.67938
1935.0000 -111.68191 -105.64622 6.03570 2.71458 -105.74659 1059.42089
1940.0000 -111.79703 -106.63046 5.16657 2.75032 -105.27460 1073.02882
1945.0000 -113.47894 -106.50762 6.97132 2.69199 -106.04493 1062.32262
1950.0000 -113.36884 -107.13543 6.23341 2.66319 -106.42533 1008.10517
1955.0000 -113.46489 -106.79380 6.67108 2.60435 -107.20244 971.71854
1960.0000 -110.93527 -106.16138 4.77390 2.69648 -105.98569 1049.59513
1965.0000 -111.86418 -106.04597 5.81821 2.69026 -106.06788 1030.57393
1970.0000 -111.39265 -105.59069 5.80196 2.68240 -106.17167 1041.37581
1975.0000 -111.56088 -105.60026 5.96062 2.67667 -106.24735 1002.09391
1980.0000 -112.59670 -107.31363 5.28307 2.67867 -106.22092 991.37307
1985.0000 -113.67140 -108.06847 5.60293 2.55559 -107.84651 925.30191
1990.0000 -113.05199 -107.64191 5.41007 2.63680 -106.77392 1001.45838
1995.0000 -113.46127 -108.32159 5.13968 2.59506 -107.32522 965.70118
2000.0000 -114.56422 -108.88899 5.67523 2.51169 -108.42629 901.70602
FREEZING PROCESS: loop number 9 T-loop= 1000.0000000000000
main_MD> interactions number 9 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65296 1.45259 2.41083
force_rgl> df(natom) -1.74668 0.16893 0.28516
2005.0000 -113.40656 -107.34629 6.06027 2.53231 -108.15405 931.04989
2010.0000 -112.36288 -106.96154 5.40134 2.65026 -106.59615 985.47216
2015.0000 -113.86732 -107.61047 6.25684 2.63168 -106.84155 970.19525
2020.0000 -114.86379 -108.71733 6.14646 2.61415 -107.07303 992.49819
2025.0000 -114.25960 -108.30542 5.95417 2.49633 -108.62924 902.13983
2030.0000 -114.31867 -107.97845 6.34022 2.59245 -107.35969 977.84043
2035.0000 -114.45184 -108.82968 5.62215 2.48303 -108.80481 882.72390
2040.0000 -113.35957 -107.38455 5.97502 2.60247 -107.22734 972.61184
2045.0000 -111.97736 -106.77560 5.20176 2.56398 -107.73564 967.70903
2050.0000 -111.56690 -105.56023 6.00667 2.68913 -106.08272 1036.84335
2055.0000 -114.46380 -108.69563 5.76817 2.66203 -106.44068 1005.70227
2060.0000 -114.80794 -109.47394 5.33400 2.47658 -108.89004 891.18469
2065.0000 -112.34454 -105.90585 6.43869 2.54766 -107.95120 901.10784
2070.0000 -112.25979 -106.57339 5.68639 2.64233 -106.70088 1040.79938
2075.0000 -112.21764 -106.18207 6.03557 2.62346 -106.95013 1015.36059
2080.0000 -110.96509 -104.44590 6.51919 2.73613 -105.46195 1063.06763
2085.0000 -111.76801 -105.37560 6.39241 2.76580 -105.07010 1080.50413
2090.0000 -114.89911 -108.06828 6.83083 2.67056 -106.32804 991.47978
2095.0000 -112.73840 -106.18188 6.55652 2.61434 -107.07059 973.80230
2100.0000 -113.56005 -106.69773 6.86232 2.76606 -105.06672 1125.57195
2105.0000 -110.86967 -105.28552 5.58415 2.76866 -105.03241 1076.59527
2110.0000 -111.53631 -104.71615 6.82016 2.80018 -104.61602 1164.34291
2115.0000 -111.77982 -106.64914 5.13068 2.70395 -105.88702 1018.92613
2120.0000 -113.44838 -108.13585 5.31253 2.61427 -107.07153 992.04544
2125.0000 -112.69239 -106.68131 6.01107 2.58735 -107.42706 946.74237
2130.0000 -110.49798 -105.03181 5.46617 2.64527 -106.66202 1018.92425
2135.0000 -113.10427 -107.04990 6.05437 2.69882 -105.95472 1016.63604
2140.0000 -113.28263 -107.07741 6.20522 2.63099 -106.85067 1009.90794
2145.0000 -113.39410 -107.28378 6.11032 2.59765 -107.29094 1001.96015
2150.0000 -113.18440 -106.39046 6.79394 2.64953 -106.60577 1002.23971
2155.0000 -112.23833 -104.94344 7.29489 2.67053 -106.32848 1041.75035
2160.0000 -112.15127 -105.98167 6.16960 2.73209 -105.51532 1067.68611
2165.0000 -113.62965 -106.16113 7.46852 2.66124 -106.45112 1012.19092
2170.0000 -112.99457 -105.89970 7.09487 2.63043 -106.85809 989.96518
2175.0000 -112.04077 -106.14517 5.89560 2.73146 -105.52371 1059.55326
2180.0000 -113.21410 -107.50153 5.71257 2.62406 -106.94219 983.45985
2185.0000 -113.76580 -107.06989 6.69591 2.51744 -108.35036 945.61156
2190.0000 -112.47302 -105.79860 6.67442 2.69317 -106.02945 1048.82740
2195.0000 -113.97811 -108.05858 5.91953 2.58036 -107.51935 957.28470
2200.0000 -114.26594 -107.86780 6.39815 2.49806 -108.60640 925.54827
2205.0000 -112.73972 -105.83892 6.90080 2.60970 -107.13179 991.53334
2210.0000 -112.45445 -106.28145 6.17300 2.62580 -106.91916 972.74390
2215.0000 -114.42557 -107.63359 6.79198 2.63220 -106.83468 1018.16462
2220.0000 -113.69535 -106.48932 7.20604 2.61574 -107.05206 968.84214
2225.0000 -114.05463 -107.58373 6.47090 2.57090 -107.64428 960.69394
2230.0000 -113.97578 -109.08448 4.89130 2.57129 -107.63917 971.66866
2235.0000 -113.31238 -107.46139 5.85099 2.59254 -107.35846 973.29944
2240.0000 -114.08684 -108.51074 5.57611 2.58930 -107.40131 968.43018
2245.0000 -113.47645 -107.39810 6.07835 2.53283 -108.14713 930.32481
2250.0000 -113.61713 -107.41857 6.19857 2.61467 -107.06621 1007.74448
FREEZING PROCESS: loop number 10 T-loop= 975.00000000000000
main_MD> interactions number 10 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73687 -2.52797 -2.24335
force_rgl> df(natom) 1.05726 0.58767 0.90687
2255.0000 -113.84933 -108.55955 5.28977 2.56944 -107.66363 959.57974
2260.0000 -114.71537 -108.88574 5.82964 2.52515 -108.24855 869.88319
2265.0000 -114.49845 -108.87845 5.62000 2.51502 -108.38231 908.19109
2270.0000 -113.98958 -107.43843 6.55115 2.49973 -108.58432 876.50505
2275.0000 -113.84956 -107.47097 6.37858 2.56845 -107.67661 976.35177
2280.0000 -112.47652 -107.53559 4.94093 2.59446 -107.33311 986.36416
2285.0000 -113.36504 -107.87443 5.49061 2.58715 -107.42971 969.61487
2290.0000 -114.14266 -106.28694 7.85572 2.63870 -106.74883 998.09332
2295.0000 -113.53365 -107.99314 5.54051 2.57271 -107.62036 941.79547
2300.0000 -114.99486 -108.43349 6.56137 2.51325 -108.40567 916.58248
2305.0000 -113.97530 -107.48612 6.48919 2.55011 -107.91888 937.27667
2310.0000 -113.65730 -106.99548 6.66182 2.55544 -107.84843 936.12389
2315.0000 -112.65463 -106.64423 6.01041 2.64140 -106.71322 1048.15758
2320.0000 -113.07315 -106.06228 7.01087 2.70550 -105.86659 1025.64331
2325.0000 -113.44667 -106.49939 6.94728 2.69919 -105.94987 1061.92736
2330.0000 -112.98846 -107.39432 5.59414 2.61102 -107.11436 978.85888
2335.0000 -113.42729 -108.06654 5.36075 2.63074 -106.85392 997.04346
2340.0000 -112.27149 -106.25707 6.01442 2.59127 -107.37522 982.06338
2345.0000 -113.93703 -107.33010 6.60692 2.63382 -106.81327 990.33366
2350.0000 -111.80482 -105.60259 6.20222 2.66486 -106.40333 1031.02561
2355.0000 -111.44283 -104.49705 6.94578 2.72550 -105.60236 1087.87537
2360.0000 -112.23604 -103.95948 8.27656 2.79258 -104.71644 1119.97879
2365.0000 -111.81814 -104.74905 7.06909 2.82657 -104.26746 1125.26145
2370.0000 -111.65014 -104.35276 7.29738 2.74896 -105.29250 1084.10747
2375.0000 -111.87554 -104.86361 7.01193 2.82180 -104.33044 1110.07442
2380.0000 -111.51394 -106.43392 5.08002 2.71464 -105.74579 1030.62399
2385.0000 -115.37011 -107.57105 7.79906 2.56254 -107.75478 897.76288
2390.0000 -113.49429 -108.37151 5.12277 2.53306 -108.14405 932.20325
2395.0000 -114.95272 -108.90716 6.04555 2.49550 -108.64019 929.34057
2400.0000 -114.10601 -108.82658 5.27942 2.49817 -108.60484 907.66817
2405.0000 -114.45929 -108.70529 5.75400 2.50371 -108.53173 899.37010
2410.0000 -113.27093 -108.03324 5.23769 2.56483 -107.72446 969.94225
2415.0000 -113.59151 -108.58302 5.00849 2.50760 -108.48038 956.10107
2420.0000 -113.30540 -107.09717 6.20823 2.51912 -108.32819 932.25054
2425.0000 -112.96438 -108.00669 4.95769 2.57348 -107.61022 950.43022
2430.0000 -115.32692 -109.50008 5.82684 2.48019 -108.84231 880.98444
2435.0000 -113.96398 -107.26318 6.70080 2.50869 -108.46600 923.48570
2440.0000 -113.19392 -106.17602 7.01789 2.64461 -106.67081 1031.98154
2445.0000 -113.24559 -107.46714 5.77845 2.60401 -107.20703 1001.01182
2450.0000 -112.23070 -106.96409 5.26660 2.57081 -107.64555 927.71549
2455.0000 -112.95409 -107.21228 5.74181 2.57370 -107.60734 922.23363
2460.0000 -111.37187 -106.48031 4.89157 2.65374 -106.55024 995.20194
2465.0000 -112.30881 -105.72893 6.57988 2.65583 -106.52254 1000.67188
2470.0000 -112.99537 -106.80071 6.19467 2.65991 -106.46869 981.68237
2475.0000 -113.73781 -107.59039 6.14743 2.63779 -106.76090 989.33683
2480.0000 -113.19818 -107.41957 5.77861 2.61369 -107.07912 988.71051
2485.0000 -113.74669 -108.63501 5.11168 2.56358 -107.74101 971.60507
2490.0000 -114.18905 -108.03644 6.15261 2.50231 -108.55025 907.66229
2495.0000 -112.02215 -106.64314 5.37901 2.63238 -106.83233 1015.38429
2500.0000 -114.24721 -108.89840 5.34881 2.53429 -108.12781 923.24285
FREEZING PROCESS: loop number 11 T-loop= 950.00000000000000
main_MD> interactions number 11 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58612 0.49283 1.45710
force_rgl> df(natom) 0.68152 1.87181 -1.08356
2505.0000 -114.54748 -108.39119 6.15629 2.48742 -108.74687 896.91903
2510.0000 -115.52769 -108.87735 6.65035 2.50572 -108.50513 884.78465
2515.0000 -113.81688 -107.60645 6.21043 2.48778 -108.74217 866.73912
2520.0000 -113.03861 -107.51433 5.52428 2.56274 -107.75202 929.54007
2525.0000 -114.81320 -108.87438 5.93882 2.55111 -107.90564 929.82471
2530.0000 -112.00895 -106.41599 5.59295 2.59194 -107.36647 949.83963
2535.0000 -113.24756 -106.51384 6.73372 2.62074 -106.98607 986.01603
2540.0000 -111.82279 -105.84857 5.97422 2.65093 -106.58730 975.93703
2545.0000 -113.20427 -105.92919 7.27507 2.75688 -105.18799 1096.82527
2550.0000 -112.17912 -105.73203 6.44710 2.68603 -106.12368 1028.38665
2555.0000 -113.25796 -106.84580 6.41217 2.68535 -106.13265 1011.36451
2560.0000 -112.95485 -107.01353 5.94132 2.58758 -107.42400 966.10197
2565.0000 -112.24531 -107.21472 5.03060 2.51827 -108.33948 923.43479
2570.0000 -114.87754 -108.61370 6.26383 2.52286 -108.27886 893.18982
2575.0000 -114.41995 -109.72431 4.69564 2.49207 -108.68552 865.96264
2580.0000 -114.31163 -106.84699 7.46465 2.50963 -108.45351 901.42187
2585.0000 -112.63471 -107.47354 5.16117 2.62592 -106.91760 978.62588
2590.0000 -112.32219 -106.64351 5.67868 2.63981 -106.73422 1015.65573
2595.0000 -111.06425 -105.11165 5.95260 2.66404 -106.41409 999.62787
2600.0000 -114.51709 -108.05574 6.46135 2.70161 -105.91797 1085.85181
2605.0000 -113.12186 -107.61986 5.50200 2.54317 -108.01058 940.16169
2610.0000 -114.27131 -109.20909 5.06222 2.51781 -108.34550 910.05763
2615.0000 -113.99823 -108.75994 5.23829 2.48249 -108.81199 888.22740
2620.0000 -113.31022 -108.39580 4.91442 2.49690 -108.62170 877.96817
2625.0000 -113.76448 -108.08309 5.68139 2.49665 -108.62502 890.44533
2630.0000 -114.11192 -108.69230 5.41962 2.46278 -109.07229 876.06476
2635.0000 -113.25186 -107.66627 5.58558 2.52532 -108.24636 932.21437
2640.0000 -112.04997 -105.98918 6.06079 2.58169 -107.50182 985.75523
2645.0000 -113.72067 -107.26132 6.45935 2.64424 -106.67569 1022.32785
2650.0000 -114.26339 -109.34599 4.91740 2.53659 -108.09740 949.64666
2655.0000 -114.66339 -108.66155 6.00184 2.43947 -109.38019 848.72388
2660.0000 -114.14968 -107.82869 6.32098 2.55713 -107.82623 969.98165
2665.0000 -112.80962 -107.34524 5.46438 2.55724 -107.82475 940.66535
2670.0000 -112.94834 -107.81730 5.13103 2.55412 -107.86595 959.53043
2675.0000 -115.28480 -108.28334 7.00146 2.54145 -108.03325 946.52245
2680.0000 -114.41120 -107.92195 6.48925 2.52308 -108.27593 924.28431
2685.0000 -114.22256 -108.56229 5.66026 2.54410 -107.99831 934.22300
2690.0000 -115.32412 -110.61060 4.71352 2.38047 -110.15949 829.50294
2695.0000 -115.35199 -110.15772 5.19427 2.45303 -109.20116 868.72588
2700.0000 -113.14714 -108.28434 4.86280 2.45372 -109.19195 835.48608
2705.0000 -111.99986 -107.96646 4.03340 2.52700 -108.22406 894.05498
2710.0000 -113.46448 -106.84697 6.61751 2.53497 -108.11882 882.77149
2715.0000 -113.90308 -107.52035 6.38274 2.55621 -107.83836 964.12867
2720.0000 -113.84905 -109.23224 4.61681 2.54562 -107.97825 928.87079
2725.0000 -114.25083 -108.07100 6.17984 2.43040 -109.50004 871.36221
2730.0000 -113.67616 -107.61370 6.06246 2.57426 -107.59986 990.07344
2735.0000 -114.00328 -108.08919 5.91409 2.52207 -108.28922 905.49215
2740.0000 -112.92649 -107.17623 5.75026 2.59645 -107.30685 933.99548
2745.0000 -113.21063 -107.67687 5.53376 2.58801 -107.41829 959.27145
2750.0000 -113.44498 -108.23082 5.21416 2.57577 -107.57997 954.11780
FREEZING PROCESS: loop number 12 T-loop= 925.00000000000000
main_MD> interactions number 12 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85076 0.79648 -2.13103
force_rgl> df(natom) -3.34844 -1.83286 -0.31054
2755.0000 -115.58051 -109.99785 5.58265 2.44743 -109.27501 842.68611
2760.0000 -114.52104 -108.02112 6.49992 2.43448 -109.44614 846.59488
2765.0000 -112.92309 -108.49760 4.42549 2.51238 -108.41727 899.70853
2770.0000 -112.45955 -107.02935 5.43020 2.54275 -108.01608 901.10953
2775.0000 -113.37978 -107.17226 6.20751 2.58144 -107.50503 935.03619
2780.0000 -112.93946 -107.05290 5.88657 2.62419 -106.94044 1010.91734
2785.0000 -113.79117 -106.80079 6.99038 2.64663 -106.64408 1013.68846
2790.0000 -114.65441 -108.46722 6.18719 2.66243 -106.43539 1048.27741
2795.0000 -113.90281 -108.41673 5.48608 2.53650 -108.09865 932.82999
2800.0000 -113.32953 -109.03339 4.29614 2.54364 -108.00428 878.47107
2805.0000 -113.96969 -107.56011 6.40958 2.50502 -108.51443 909.90699
2810.0000 -115.25255 -110.01414 5.23841 2.51296 -108.40961 925.72135
2815.0000 -114.34076 -109.24956 5.09120 2.42683 -109.54716 829.72341
2820.0000 -114.73020 -108.61673 6.11348 2.47829 -108.86746 902.69317
2825.0000 -113.68878 -108.40259 5.28619 2.53234 -108.15359 914.34052
2830.0000 -113.36000 -108.61648 4.74352 2.48107 -108.83074 861.97193
2835.0000 -113.10141 -107.58342 5.51799 2.55318 -107.87834 948.09959
2840.0000 -114.52261 -108.54054 5.98207 2.56811 -107.68121 955.60445
2845.0000 -114.86610 -110.46725 4.39885 2.43742 -109.40727 842.11863
2850.0000 -112.88675 -107.88277 5.00398 2.49244 -108.68061 920.02867
2855.0000 -114.78428 -107.76469 7.01959 2.56197 -107.76223 933.29540
2860.0000 -113.51582 -108.84536 4.67047 2.54275 -108.01612 950.09299
2865.0000 -114.55206 -108.57412 5.97794 2.45421 -109.18556 890.37251
2870.0000 -114.15461 -108.24421 5.91040 2.51911 -108.32827 932.00953
2875.0000 -113.50809 -106.75720 6.75089 2.58807 -107.41757 990.77239
2880.0000 -112.33649 -103.91995 8.41653 2.75890 -105.16130 1099.92789
2885.0000 -112.69546 -107.18748 5.50798 2.71795 -105.70215 1046.94571
2890.0000 -114.35760 -107.19616 7.16144 2.62062 -106.98762 963.43209
2895.0000 -112.99594 -107.12955 5.86639 2.60714 -107.16559 985.50066
2900.0000 -114.55224 -108.15095 6.40129 2.59664 -107.30431 917.07370
2905.0000 -114.77449 -109.93232 4.84218 2.45236 -109.21001 857.15457
2910.0000 -114.89842 -109.25232 5.64610 2.45871 -109.12610 859.03813
2915.0000 -112.70132 -107.67217 5.02915 2.56748 -107.68951 940.00822
2920.0000 -113.89627 -108.47451 5.42176 2.53801 -108.07870 882.02225
2925.0000 -111.65698 -104.96179 6.69519 2.60883 -107.14338 986.88631
2930.0000 -112.49763 -106.31439 6.18324 2.66726 -106.37163 1066.04293
2935.0000 -113.17940 -107.22350 5.95590 2.58752 -107.42483 979.95141
2940.0000 -115.72769 -109.86182 5.86587 2.52621 -108.23457 931.21432
2945.0000 -114.13527 -109.12811 5.00716 2.44078 -109.36291 820.91883
2950.0000 -113.35828 -107.67296 5.68532 2.45003 -109.24066 826.94580
2955.0000 -113.81849 -106.01639 7.80210 2.61733 -107.03108 1003.77121
2960.0000 -114.94389 -108.35865 6.58524 2.54913 -107.93181 926.45665
2965.0000 -113.53194 -108.37747 5.15448 2.49548 -108.64049 892.75347
2970.0000 -114.63941 -108.80574 5.83367 2.53575 -108.10856 921.82079
2975.0000 -114.58854 -108.45883 6.12971 2.44839 -109.26234 887.33731
2980.0000 -114.28861 -109.41441 4.87420 2.46824 -109.00023 873.91029
2985.0000 -113.79077 -108.66546 5.12530 2.50171 -108.55817 899.22674
2990.0000 -114.82588 -108.19706 6.62883 2.51302 -108.40878 914.29550
2995.0000 -113.83068 -105.87497 7.95571 2.52862 -108.20273 924.43593
3000.0000 -114.47898 -108.67153 5.80744 2.60887 -107.14278 1034.42013
FREEZING PROCESS: loop number 13 T-loop= 900.00000000000000
main_MD> interactions number 13 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86153 0.68293 4.16494
force_rgl> df(natom) 0.77273 1.71459 1.82792
3005.0000 -114.82765 -109.16830 5.65935 2.44333 -109.32918 849.55051
3010.0000 -115.30179 -109.74717 5.55461 2.46879 -108.99288 867.86371
3015.0000 -114.48823 -108.37699 6.11123 2.49977 -108.58372 894.14888
3020.0000 -113.54378 -109.19766 4.34612 2.46776 -109.00656 868.39090
3025.0000 -114.79179 -110.37433 4.41746 2.43491 -109.44037 845.56791
3030.0000 -114.94924 -109.53406 5.41518 2.38845 -110.05404 824.24012
3035.0000 -114.86076 -108.78445 6.07631 2.50352 -108.53426 884.27308
3040.0000 -114.36177 -108.86024 5.50154 2.51596 -108.36992 905.13322
3045.0000 -115.02185 -108.69951 6.32234 2.44726 -109.27725 864.29039
3050.0000 -113.09579 -107.03587 6.05992 2.51062 -108.44040 872.53659
3055.0000 -114.19908 -107.97791 6.22117 2.58070 -107.51485 911.98305
3060.0000 -113.10499 -107.11616 5.98883 2.56513 -107.72050 939.61133
3065.0000 -114.60968 -108.48364 6.12604 2.55464 -107.85905 931.79037
3070.0000 -114.54056 -109.49155 5.04901 2.41400 -109.71660 802.80647
3075.0000 -112.16109 -105.80856 6.35253 2.59486 -107.32786 972.28734
3080.0000 -113.64441 -107.40434 6.24007 2.73483 -105.47913 1042.68848
3085.0000 -114.10568 -108.49263 5.61305 2.57142 -107.63742 954.32101
3090.0000 -115.04323 -109.47305 5.57018 2.46842 -108.99787 876.45743
3095.0000 -114.82572 -108.02419 6.80153 2.47939 -108.85294 892.61311
3100.0000 -113.74918 -107.99931 5.74987 2.51830 -108.33898 902.70606
3105.0000 -115.08278 -109.33745 5.74533 2.44868 -109.25857 848.64254
3110.0000 -115.76557 -110.55021 5.21535 2.40988 -109.77102 863.07075
3115.0000 -116.13166 -111.46403 4.66764 2.35458 -110.50142 784.46135
3120.0000 -114.90803 -108.71344 6.19459 2.35066 -110.55314 799.59018
3125.0000 -112.93345 -107.08121 5.85225 2.58431 -107.46717 1000.69222
3130.0000 -113.50816 -107.14628 6.36188 2.56443 -107.72981 925.73238
3135.0000 -114.71889 -109.18325 5.53563 2.51149 -108.42898 906.74351
3140.0000 -114.02699 -108.78274 5.24425 2.40913 -109.78087 842.15388
3145.0000 -114.67786 -108.39442 6.28344 2.51340 -108.40371 908.44899
3150.0000 -114.57769 -108.12445 6.45324 2.51899 -108.32996 905.03865
3155.0000 -113.60589 -108.62891 4.97698 2.53891 -108.06686 927.49668
3160.0000 -114.79059 -108.81093 5.97965 2.48658 -108.75794 879.15099
3165.0000 -114.43411 -109.49038 4.94373 2.42355 -109.59045 850.13410
3170.0000 -113.78595 -107.98806 5.79788 2.53118 -108.16895 900.80393
3175.0000 -114.34325 -108.61523 5.72802 2.47742 -108.87898 864.50598
3180.0000 -114.48034 -108.96256 5.51778 2.45579 -109.16462 845.18740
3185.0000 -115.25815 -109.68524 5.57291 2.45364 -109.19304 867.87927
3190.0000 -115.73046 -109.44022 6.29024 2.41458 -109.70898 862.11740
3195.0000 -115.84124 -109.91425 5.92699 2.41438 -109.71163 884.46190
3200.0000 -114.90260 -108.60418 6.29842 2.48340 -108.79999 898.47119
3205.0000 -114.14746 -109.64817 4.49929 2.46644 -109.02392 902.84566
3210.0000 -114.72858 -109.30991 5.41866 2.42262 -109.60275 829.10155
3215.0000 -113.27516 -108.03447 5.24068 2.48493 -108.77982 875.98034
3220.0000 -113.50149 -108.71058 4.79091 2.52162 -108.29514 926.46784
3225.0000 -114.13990 -109.03683 5.10307 2.50024 -108.57751 880.83690
3230.0000 -113.84281 -108.38492 5.45789 2.45677 -109.15168 861.85064
3235.0000 -113.68967 -107.71298 5.97669 2.56704 -107.69527 922.01003
3240.0000 -114.12974 -108.17331 5.95643 2.55974 -107.79168 914.26136
3245.0000 -114.06112 -107.99444 6.06668 2.56145 -107.76917 916.79681
3250.0000 -115.10170 -109.39098 5.71071 2.48276 -108.80846 872.24829
FREEZING PROCESS: loop number 14 T-loop= 875.00000000000000
main_MD> interactions number 14 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65864 2.26449 3.84888
force_rgl> df(natom) 1.41423 0.54511 -0.23128
3255.0000 -113.76755 -107.56796 6.19959 2.53592 -108.10625 936.47774
3260.0000 -115.34531 -108.97177 6.37355 2.45838 -109.13048 881.26605
3265.0000 -114.31180 -110.47629 3.83551 2.44202 -109.34647 857.15506
3270.0000 -115.18528 -109.56160 5.62368 2.34378 -110.64402 762.71598
3275.0000 -115.05939 -110.22497 4.83442 2.46235 -109.07805 875.69460
3280.0000 -114.13488 -109.25548 4.87941 2.39242 -110.00157 791.38837
3285.0000 -115.71262 -110.42648 5.28614 2.44119 -109.35743 857.47124
3290.0000 -115.37589 -109.83159 5.54430 2.43675 -109.41612 829.58162
3295.0000 -114.88532 -109.38884 5.49648 2.43271 -109.46943 852.64663
3300.0000 -114.62081 -108.02989 6.59092 2.48371 -108.79588 899.31536
3305.0000 -115.08121 -110.41994 4.66126 2.46619 -109.02734 926.68386
3310.0000 -114.56908 -110.25365 4.31542 2.39770 -109.93193 821.20648
3315.0000 -114.78089 -109.59675 5.18414 2.40470 -109.83946 843.30215
3320.0000 -113.52967 -109.02900 4.50067 2.49733 -108.61600 896.05186
3325.0000 -115.16963 -109.23146 5.93816 2.45162 -109.21977 840.42547
3330.0000 -114.37288 -109.57192 4.80097 2.48683 -108.75469 911.66837
3335.0000 -114.27001 -108.82395 5.44607 2.44670 -109.28473 846.66372
3340.0000 -115.50617 -109.96113 5.54504 2.46936 -108.98541 886.03218
3345.0000 -113.36410 -108.85944 4.50466 2.44539 -109.30202 796.91234
3350.0000 -113.95926 -108.71837 5.24090 2.48599 -108.76580 884.93218
3355.0000 -114.20606 -109.63236 4.57370 2.39601 -109.95423 788.29101
3360.0000 -115.06941 -108.87942 6.18999 2.43000 -109.50524 832.73012
3365.0000 -113.90672 -107.45795 6.44877 2.53168 -108.16226 908.92032
3370.0000 -114.38029 -108.40383 5.97646 2.60425 -107.20385 958.35079
3375.0000 -114.26265 -108.59702 5.66563 2.45603 -109.16149 885.21835
3380.0000 -114.35185 -109.04953 5.30232 2.48171 -108.82228 877.01399
3385.0000 -113.79923 -108.79073 5.00850 2.48023 -108.84189 875.17581
3390.0000 -113.44995 -107.84825 5.60170 2.50476 -108.51788 878.08961
3395.0000 -112.74189 -106.91314 5.82875 2.60218 -107.23113 985.38858
3400.0000 -113.34968 -107.65674 5.69294 2.59030 -107.38811 924.64538
3405.0000 -115.34158 -109.76202 5.57956 2.48667 -108.75672 894.42094
3410.0000 -115.02996 -109.75317 5.27680 2.37887 -110.18057 824.14949
3415.0000 -114.72483 -108.52704 6.19779 2.47925 -108.85483 904.44699
3420.0000 -113.80198 -108.37949 5.42250 2.48605 -108.76502 923.49265
3425.0000 -115.35310 -110.83060 4.52250 2.44866 -109.25881 844.05206
3430.0000 -114.58859 -109.24130 5.34729 2.37518 -110.22926 824.44197
3435.0000 -113.34013 -108.62892 4.71121 2.52174 -108.29354 884.03203
3440.0000 -113.78076 -108.26762 5.51313 2.54399 -107.99974 937.27675
3445.0000 -115.21390 -110.63984 4.57406 2.40686 -109.81089 819.12421
3450.0000 -115.55326 -110.67202 4.88124 2.35884 -110.44515 776.75873
3455.0000 -113.88102 -108.20066 5.68036 2.46648 -109.02344 854.29058
3460.0000 -113.01849 -108.22625 4.79224 2.55450 -107.86088 951.79781
3465.0000 -114.34955 -108.20228 6.14727 2.55490 -107.85569 920.62252
3470.0000 -114.32056 -107.97059 6.34997 2.49978 -108.58366 898.86752
3475.0000 -113.87460 -108.13731 5.73729 2.51210 -108.42092 915.66687
3480.0000 -114.10183 -107.05840 7.04343 2.57091 -107.64418 965.15203
3485.0000 -113.16055 -108.51706 4.64348 2.55273 -107.88426 914.43448
3490.0000 -114.48917 -109.13676 5.35241 2.47832 -108.86705 910.94960
3495.0000 -115.98092 -111.00336 4.97756 2.40072 -109.89194 829.67369
3500.0000 -115.13531 -109.84428 5.29103 2.35791 -110.45744 818.57463
FREEZING PROCESS: loop number 15 T-loop= 850.00000000000000
main_MD> interactions number 15 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.45550 0.54853 0.17628
force_rgl> df(natom) 0.37721 3.30824 -0.08482
3505.0000 -113.66341 -108.19478 5.46863 2.42110 -109.62280 821.63195
3510.0000 -115.88874 -109.90337 5.98537 2.47679 -108.88730 914.63236
3515.0000 -115.34192 -110.81850 4.52343 2.38145 -110.14644 847.46468
3520.0000 -114.56266 -110.45003 4.11263 2.32069 -110.94896 765.73226
3525.0000 -115.32793 -110.55775 4.77019 2.33007 -110.82518 752.71124
3530.0000 -115.21374 -109.57926 5.63448 2.37348 -110.25174 769.69861
3535.0000 -113.99033 -108.93617 5.05416 2.44115 -109.35795 802.13750
3540.0000 -114.63227 -109.45965 5.17262 2.42264 -109.60247 828.63069
3545.0000 -115.54456 -109.85230 5.69226 2.44399 -109.32053 847.25832
3550.0000 -114.65950 -110.39070 4.26879 2.40257 -109.86757 817.10165
3555.0000 -113.38052 -107.81311 5.56741 2.45266 -109.20600 853.15678
3560.0000 -114.26110 -109.32011 4.94099 2.52150 -108.29677 861.81687
3565.0000 -114.70628 -109.57100 5.13528 2.46511 -109.04152 821.83258
3570.0000 -112.60468 -106.35416 6.25053 2.55040 -107.91510 926.56881
3575.0000 -114.41520 -109.04816 5.36704 2.54996 -107.92089 940.91458
3580.0000 -115.60722 -110.14262 5.46460 2.44755 -109.27342 852.64333
3585.0000 -113.17777 -107.71264 5.46513 2.46830 -108.99941 871.28297
3590.0000 -113.74013 -108.28530 5.45483 2.51026 -108.44515 907.00660
3595.0000 -112.27236 -105.98030 6.29206 2.56559 -107.71447 960.07834
3600.0000 -113.98800 -108.90165 5.08635 2.58391 -107.47252 940.55701
3605.0000 -114.01300 -108.30275 5.71024 2.48042 -108.83929 888.74742
3610.0000 -113.86802 -108.59964 5.26838 2.46725 -109.01333 852.90949
3615.0000 -113.82742 -108.62596 5.20147 2.45837 -109.13057 850.47720
3620.0000 -114.86973 -109.03657 5.83316 2.49640 -108.62829 885.97457
3625.0000 -113.58191 -108.12119 5.46072 2.50920 -108.45923 910.48375
3630.0000 -112.78965 -107.72066 5.06898 2.52329 -108.27311 889.47574
3635.0000 -114.99768 -108.88739 6.11029 2.56320 -107.74594 941.39547
3640.0000 -114.97219 -110.74657 4.22561 2.40227 -109.87146 808.58566
3645.0000 -115.59936 -110.23413 5.36522 2.37283 -110.26038 776.90626
3650.0000 -115.21131 -110.12451 5.08680 2.37427 -110.24128 790.22705
3655.0000 -114.65493 -109.47595 5.17898 2.42434 -109.58004 833.86665
3660.0000 -114.88604 -109.09451 5.79153 2.43095 -109.49266 861.73136
3665.0000 -114.25307 -108.32141 5.93166 2.51854 -108.33586 892.11383
3670.0000 -114.14877 -107.48510 6.66367 2.53808 -108.07773 889.80506
3675.0000 -114.22415 -109.68961 4.53454 2.50053 -108.57378 887.16283
3680.0000 -114.50239 -110.22821 4.27417 2.37337 -110.25320 809.68672
3685.0000 -115.04386 -109.99789 5.04597 2.38647 -110.08016 800.06716
3690.0000 -115.35625 -109.33484 6.02141 2.42538 -109.56629 833.83053
3695.0000 -114.05889 -109.12606 4.93283 2.44973 -109.24463 848.48330
3700.0000 -115.92563 -109.51959 6.40605 2.43722 -109.40988 837.61848
3705.0000 -114.59537 -109.29235 5.30302 2.46785 -109.00541 870.85033
3710.0000 -113.47705 -109.19350 4.28356 2.44977 -109.24413 860.64967
3715.0000 -114.42395 -110.01428 4.40968 2.43113 -109.49040 844.59656
3720.0000 -115.20163 -110.50985 4.69178 2.38912 -110.04522 802.15962
3725.0000 -115.37335 -109.62653 5.74681 2.32148 -110.93853 800.75911
3730.0000 -115.24073 -110.03799 5.20274 2.38871 -110.05057 798.66779
3735.0000 -112.71436 -107.19756 5.51679 2.49912 -108.59231 921.14378
3740.0000 -113.21630 -107.83054 5.38575 2.52806 -108.21007 920.28194
3745.0000 -114.16668 -107.55786 6.60881 2.57364 -107.60813 927.37515
3750.0000 -114.43023 -109.54292 4.88731 2.47651 -108.89091 882.50618
FREEZING PROCESS: loop number 16 T-loop= 825.00000000000000
main_MD> interactions number 16 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32694 2.53134 -1.88250
force_rgl> df(natom) -3.06485 -2.50703 -1.78968
3755.0000 -115.44107 -109.80811 5.63296 2.46208 -109.08163 883.83958
3760.0000 -114.96158 -110.56402 4.39757 2.37196 -110.27187 802.60907
3765.0000 -116.27364 -111.20196 5.07168 2.31316 -111.04846 762.71641
3770.0000 -116.21593 -111.83655 4.37938 2.31450 -111.03070 785.64450
3775.0000 -115.98959 -111.28731 4.70228 2.27951 -111.49291 719.52908
3780.0000 -115.84987 -111.28984 4.56004 2.30358 -111.17493 764.84559
3785.0000 -114.99254 -110.59786 4.39469 2.30981 -111.09276 729.61809
3790.0000 -114.53159 -108.88449 5.64710 2.49323 -108.67020 901.98482
3795.0000 -115.68217 -110.54488 5.13730 2.40290 -109.86318 802.14441
3800.0000 -115.29591 -110.68218 4.61373 2.34251 -110.66085 777.23686
3805.0000 -115.86647 -111.18891 4.67757 2.33595 -110.74744 764.93802
3810.0000 -115.95206 -111.12840 4.82367 2.29585 -111.27713 718.39876
3815.0000 -115.65253 -111.03467 4.61785 2.35270 -110.52621 790.77190
3820.0000 -115.74295 -109.58390 6.15905 2.37116 -110.28234 802.94813
3825.0000 -114.97543 -108.51525 6.46018 2.47118 -108.96133 840.45403
3830.0000 -114.57577 -109.58976 4.98601 2.45591 -109.16300 863.66086
3835.0000 -113.81149 -109.12091 4.69058 2.39722 -109.93816 794.04447
3840.0000 -113.89180 -108.90260 4.98920 2.45342 -109.19597 833.22643
3845.0000 -114.62354 -109.55509 5.06845 2.41561 -109.69537 815.89331
3850.0000 -117.40584 -111.56854 5.83730 2.37349 -110.25163 802.39633
3855.0000 -116.53276 -112.61174 3.92102 2.19854 -112.56227 684.86863
3860.0000 -116.48021 -111.77949 4.70072 2.26393 -111.69861 715.77837
3865.0000 -115.21897 -109.60211 5.61686 2.33329 -110.78257 785.08448
3870.0000 -114.30346 -108.85848 5.44497 2.45394 -109.18903 876.37521
3875.0000 -114.24313 -108.68614 5.55699 2.50021 -108.57797 876.65047
3880.0000 -115.43824 -111.22221 4.21603 2.44013 -109.37141 837.16319
3885.0000 -114.56282 -109.76268 4.80013 2.37560 -110.22378 810.50719
3890.0000 -115.78728 -110.93502 4.85226 2.35127 -110.54508 776.26046
3895.0000 -114.24355 -109.00771 5.23584 2.41984 -109.63941 829.15080
3900.0000 -115.11924 -109.69964 5.41959 2.41168 -109.74719 807.70516
3905.0000 -115.56691 -110.98637 4.58055 2.33756 -110.72616 774.00241
3910.0000 -114.59894 -109.45544 5.14350 2.34151 -110.67396 799.47205
3915.0000 -114.59478 -107.97535 6.61943 2.48767 -108.74361 910.10587
3920.0000 -112.64472 -108.23023 4.41450 2.55539 -107.84920 930.71736
3925.0000 -114.31442 -108.97300 5.34142 2.48508 -108.77780 873.19808
3930.0000 -113.93135 -108.56083 5.37052 2.43297 -109.46603 817.30942
3935.0000 -113.87764 -108.98366 4.89398 2.42167 -109.61523 826.10948
3940.0000 -114.59387 -108.37420 6.21967 2.46339 -109.06428 850.93436
3945.0000 -114.70697 -109.12051 5.58645 2.50935 -108.45724 911.95601
3950.0000 -115.48937 -110.40598 5.08340 2.39982 -109.90381 822.42757
3955.0000 -115.11058 -109.80098 5.30960 2.36494 -110.36457 796.36332
3960.0000 -114.93646 -109.16825 5.76821 2.45396 -109.18879 869.92313
3965.0000 -114.13927 -109.42827 4.71101 2.43191 -109.47998 838.47042
3970.0000 -115.83389 -111.45036 4.38354 2.33116 -110.81066 743.62062
3975.0000 -115.02109 -110.63392 4.38717 2.36102 -110.41630 789.12172
3980.0000 -115.59519 -111.05975 4.53544 2.29615 -111.27309 746.78360
3985.0000 -115.46668 -110.71968 4.74700 2.34057 -110.68643 765.02379
3990.0000 -113.51758 -107.08917 6.42841 2.47457 -108.91665 885.51980
3995.0000 -114.70003 -109.54588 5.15415 2.48241 -108.81311 899.95377
4000.0000 -114.72433 -109.29513 5.42920 2.43137 -109.48719 877.35124
FREEZING PROCESS: loop number 17 T-loop= 800.00000000000000
main_MD> interactions number 17 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25342 1.94458 4.05726
force_rgl> df(natom) -0.43487 4.16975 -0.49576
4005.0000 -114.80367 -110.18948 4.61419 2.39061 -110.02548 814.12617
4010.0000 -115.92774 -110.39084 5.53690 2.42026 -109.63396 857.87730
4015.0000 -113.85189 -108.71029 5.14160 2.40447 -109.84245 861.12834
4020.0000 -115.00850 -110.07424 4.93426 2.42885 -109.52050 827.52175
4025.0000 -116.70335 -111.51459 5.18877 2.30661 -111.13497 733.39305
4030.0000 -114.76898 -109.93665 4.83233 2.37193 -110.27221 802.77590
4035.0000 -114.19315 -110.15907 4.03408 2.37356 -110.25068 736.29708
4040.0000 -115.61634 -110.41051 5.20583 2.43110 -109.49069 840.02299
4045.0000 -115.30659 -110.55817 4.74842 2.38068 -110.15669 816.23252
4050.0000 -116.00449 -110.83072 5.17378 2.38414 -110.11092 826.10698
4055.0000 -114.97259 -111.20432 3.76826 2.31895 -110.97198 744.37171
4060.0000 -116.13384 -112.00386 4.12997 2.29039 -111.34916 754.88249
4065.0000 -115.55045 -111.80300 3.74746 2.28596 -111.40772 741.21092
4070.0000 -116.45418 -111.26686 5.18732 2.30508 -111.15520 773.12946
4075.0000 -116.05483 -110.73331 5.32152 2.37174 -110.27470 834.57658
4080.0000 -115.04085 -110.75463 4.28622 2.36232 -110.39912 811.26615
4085.0000 -115.86031 -111.57437 4.28594 2.23304 -112.10660 678.60960
4090.0000 -115.68805 -109.92056 5.76749 2.36652 -110.34363 788.63305
4095.0000 -114.35691 -108.94738 5.40953 2.45012 -109.23954 873.65834
4100.0000 -113.31109 -107.65208 5.65901 2.49859 -108.59931 879.68536
4105.0000 -114.61174 -109.47920 5.13254 2.51089 -108.43693 889.79788
4110.0000 -115.65964 -110.83589 4.82375 2.44402 -109.32012 837.63183
4115.0000 -113.85601 -108.87658 4.97943 2.39784 -109.93001 796.36477
4120.0000 -114.98144 -109.72239 5.25904 2.42080 -109.62683 794.26984
4125.0000 -114.96660 -108.23493 6.73168 2.44849 -109.26102 835.86370
4130.0000 -115.71353 -110.34423 5.36930 2.43209 -109.47772 857.00006
4135.0000 -114.30052 -109.24307 5.05745 2.38622 -110.08345 817.73531
4140.0000 -115.02751 -110.06154 4.96597 2.39822 -109.92500 821.88456
4145.0000 -115.63041 -110.73098 4.89943 2.40392 -109.84972 813.54957
4150.0000 -115.33138 -109.67291 5.65847 2.36994 -110.29848 763.08511
4155.0000 -114.60758 -109.37373 5.23385 2.43709 -109.41168 840.14137
4160.0000 -115.14368 -109.00424 6.13944 2.49026 -108.70937 885.99671
4165.0000 -114.70426 -109.21880 5.48546 2.42468 -109.57558 826.00304
4170.0000 -116.89472 -110.49402 6.40069 2.39385 -109.98277 830.31998
4175.0000 -115.14812 -110.44992 4.69820 2.36253 -110.39633 757.45745
4180.0000 -113.85270 -109.25688 4.59582 2.37005 -110.29705 785.37109
4185.0000 -114.16931 -109.37312 4.79620 2.46265 -109.07402 842.54907
4190.0000 -115.53386 -110.57810 4.95576 2.37166 -110.27585 779.19663
4195.0000 -114.60621 -109.54418 5.06202 2.36457 -110.36940 788.04937
4200.0000 -114.87562 -110.15701 4.71861 2.37447 -110.23875 800.58663
4205.0000 -115.40924 -109.94374 5.46550 2.38145 -110.14646 813.02621
4210.0000 -115.83924 -110.01867 5.82058 2.41444 -109.71074 838.97728
4215.0000 -115.21318 -109.86968 5.34349 2.35650 -110.47600 789.19127
4220.0000 -115.53857 -111.63268 3.90589 2.36078 -110.41953 802.56073
4225.0000 -115.42412 -111.14356 4.28057 2.24333 -111.97076 669.85498
4230.0000 -115.22587 -110.61424 4.61163 2.30814 -111.11480 753.02234
4235.0000 -115.38322 -110.05013 5.33309 2.36461 -110.36886 794.42343
4240.0000 -115.22129 -110.93757 4.28372 2.32410 -110.90397 764.34394
4245.0000 -115.20045 -111.23841 3.96204 2.32021 -110.95529 744.22587
4250.0000 -115.33690 -111.30430 4.03260 2.29725 -111.25864 770.93764
FREEZING PROCESS: loop number 18 T-loop= 775.00000000000000
main_MD> interactions number 18 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94591 -2.03863 -1.04355
force_rgl> df(natom) 0.72229 -0.30821 -2.63087
4255.0000 -116.02443 -111.58520 4.43923 2.28104 -111.47265 748.98277
4260.0000 -116.50363 -112.30987 4.19376 2.26776 -111.64812 729.89581
4265.0000 -114.84878 -110.45486 4.39392 2.29071 -111.34491 747.17611
4270.0000 -116.08212 -111.42275 4.65937 2.33282 -110.78875 783.96870
4275.0000 -114.88086 -110.40796 4.47290 2.34254 -110.66040 790.63881
4280.0000 -115.58999 -110.63038 4.95960 2.35101 -110.54852 794.81659
4285.0000 -114.94841 -109.44702 5.50138 2.38651 -110.07966 815.69871
4290.0000 -115.09082 -109.21754 5.87328 2.35783 -110.45848 786.68495
4295.0000 -116.05126 -110.33577 5.71549 2.43148 -109.48578 848.04928
4300.0000 -114.93447 -109.85348 5.08099 2.38959 -110.03895 816.53832
4305.0000 -115.59164 -111.14074 4.45090 2.30985 -111.09222 723.55183
4310.0000 -115.19150 -110.84707 4.34443 2.35487 -110.49759 790.19934
4315.0000 -115.75404 -111.25851 4.49553 2.32274 -110.92194 743.80439
4320.0000 -115.31445 -109.49372 5.82074 2.33899 -110.70731 792.41276
4325.0000 -114.92952 -110.06972 4.85981 2.44932 -109.25012 858.58951
4330.0000 -115.91841 -111.07372 4.84469 2.34927 -110.57154 802.95529
4335.0000 -115.60744 -109.78203 5.82541 2.37731 -110.20118 853.55640
4340.0000 -113.78505 -110.21331 3.57175 2.40611 -109.82074 822.74051
4345.0000 -116.48237 -112.45532 4.02705 2.29941 -111.23008 763.58974
4350.0000 -114.86715 -109.94903 4.91812 2.32563 -110.88376 771.78155
4355.0000 -115.02946 -110.16059 4.86887 2.39807 -109.92692 845.31463
4360.0000 -115.14664 -109.95251 5.19413 2.38695 -110.07385 803.73492
4365.0000 -115.34464 -109.76208 5.58256 2.41197 -109.74336 808.16776
4370.0000 -115.74915 -110.21648 5.53267 2.39996 -109.90200 810.51954
4375.0000 -115.48292 -111.09792 4.38500 2.33035 -110.82137 744.02459
4380.0000 -112.92338 -108.33142 4.59196 2.43262 -109.47068 815.76920
4385.0000 -113.94504 -108.28703 5.65800 2.50572 -108.50512 898.11973
4390.0000 -114.79811 -109.42919 5.36892 2.47856 -108.86385 870.85665
4395.0000 -113.94271 -108.85681 5.08590 2.48322 -108.80234 880.86043
4400.0000 -114.36658 -108.82141 5.54518 2.50621 -108.49874 913.74766
4405.0000 -114.83221 -110.08894 4.74327 2.40629 -109.81836 829.18154
4410.0000 -115.44903 -111.04161 4.40741 2.32483 -110.89430 743.36416
4415.0000 -116.21671 -111.65134 4.56537 2.28352 -111.43999 740.68337
4420.0000 -115.44887 -111.27247 4.17640 2.26921 -111.62891 740.87030
4425.0000 -115.03026 -109.38563 5.64463 2.38078 -110.15529 833.26537
4430.0000 -115.64551 -110.69594 4.94957 2.38162 -110.14425 836.83175
4435.0000 -115.24419 -110.73232 4.51186 2.35015 -110.55991 768.57743
4440.0000 -116.35182 -112.01965 4.33217 2.32615 -110.87686 765.67504
4445.0000 -116.22175 -111.44546 4.77628 2.27606 -111.53852 711.71316
4450.0000 -116.09782 -111.67321 4.42462 2.28222 -111.45711 729.25488
4455.0000 -115.12282 -111.45627 3.66655 2.27585 -111.54122 717.99461
4460.0000 -114.91148 -110.89589 4.01559 2.31751 -110.99098 745.38587
4465.0000 -114.88863 -110.19202 4.69661 2.36880 -110.31362 751.28239
4470.0000 -116.13896 -110.39213 5.74683 2.32790 -110.85380 774.97955
4475.0000 -115.79147 -110.74149 5.04998 2.33581 -110.74931 812.28240
4480.0000 -114.58553 -109.87062 4.71490 2.39184 -110.00925 783.50229
4485.0000 -115.87500 -110.81867 5.05633 2.36617 -110.34833 815.49791
4490.0000 -115.00471 -111.04416 3.96055 2.33005 -110.82537 762.68116
4495.0000 -115.45787 -110.34575 5.11212 2.30653 -111.13604 765.59964
4500.0000 -115.35358 -110.19424 5.15935 2.39418 -109.97835 811.20708
FREEZING PROCESS: loop number 19 T-loop= 750.00000000000000
main_MD> interactions number 19 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60108 -0.46763 -0.17230
force_rgl> df(natom) -0.36779 1.55603 -1.09695
4505.0000 -114.77292 -109.67253 5.10038 2.35966 -110.43426 789.88135
4510.0000 -117.12576 -112.71865 4.40710 2.27614 -111.53735 742.78406
4515.0000 -116.08992 -111.95989 4.13004 2.24182 -111.99069 710.51865
4520.0000 -115.87523 -110.69402 5.18121 2.32081 -110.94744 743.14956
4525.0000 -115.42165 -110.03666 5.38499 2.35206 -110.53472 761.83377
4530.0000 -114.42788 -109.87281 4.55507 2.43993 -109.37410 807.65990
4535.0000 -114.02560 -108.78604 5.23957 2.37879 -110.18170 758.95117
4540.0000 -115.24922 -110.84608 4.40315 2.41900 -109.65052 812.79129
4545.0000 -115.76686 -111.42380 4.34306 2.35085 -110.55065 781.51400
4550.0000 -116.87267 -110.75567 6.11700 2.35721 -110.46662 796.81454
4555.0000 -115.59853 -111.12489 4.47364 2.32940 -110.83397 760.01319
4560.0000 -115.73396 -111.06644 4.66753 2.29858 -111.24100 746.27973
4565.0000 -116.53652 -112.14154 4.39497 2.32100 -110.94494 776.66128
4570.0000 -115.26066 -110.42444 4.83622 2.34233 -110.66322 782.31805
4575.0000 -115.64050 -110.56673 5.07377 2.29711 -111.26044 746.09258
4580.0000 -114.75596 -110.47273 4.28324 2.34903 -110.57465 769.76102
4585.0000 -115.91350 -111.57135 4.34215 2.33668 -110.73781 770.21583
4590.0000 -115.74817 -111.87081 3.87736 2.26261 -111.71604 692.50884
4595.0000 -115.71280 -111.59953 4.11327 2.25064 -111.87417 659.44293
4600.0000 -115.73102 -111.00677 4.72425 2.28451 -111.42692 699.89110
4605.0000 -116.63617 -112.67477 3.96140 2.28051 -111.47965 749.23767
4610.0000 -115.54760 -111.35293 4.19467 2.24076 -112.00465 698.90511
4615.0000 -115.42513 -111.64890 3.77623 2.31595 -111.01157 743.03164
4620.0000 -116.61185 -112.70838 3.90347 2.24117 -111.99932 694.32219
4625.0000 -116.05581 -110.96801 5.08781 2.26208 -111.72314 716.08114
4630.0000 -115.99785 -111.19307 4.80478 2.33508 -110.75891 786.87479
4635.0000 -115.99387 -112.50602 3.48785 2.26790 -111.64619 736.43665
4640.0000 -115.73578 -111.50041 4.23537 2.25918 -111.76144 710.36167
4645.0000 -116.39298 -111.54213 4.85085 2.25418 -111.82740 729.30149
4650.0000 -116.60384 -112.74374 3.86009 2.25634 -111.79896 731.95829
4655.0000 -116.97012 -112.49158 4.47854 2.20842 -112.43184 670.98430
4660.0000 -115.91760 -112.09297 3.82463 2.20715 -112.44862 671.72939
4665.0000 -115.59018 -111.56869 4.02150 2.26152 -111.73052 714.24510
4670.0000 -116.28967 -112.42185 3.86782 2.24306 -111.97436 719.76623
4675.0000 -116.15532 -110.99091 5.16441 2.24478 -111.95155 719.75973
4680.0000 -114.69354 -109.98687 4.70666 2.36525 -110.36041 795.97816
4685.0000 -113.89298 -108.78117 5.11181 2.44819 -109.26507 834.41153
4690.0000 -115.35812 -109.86016 5.49796 2.41348 -109.72352 793.69316
4695.0000 -115.28031 -110.91507 4.36524 2.37830 -110.18817 797.10652
4700.0000 -116.00494 -111.30487 4.70007 2.35385 -110.51105 782.11744
4705.0000 -117.03007 -112.43281 4.59726 2.24891 -111.89705 732.63049
4710.0000 -116.66839 -112.99943 3.66895 2.18749 -112.70827 667.66680
4715.0000 -116.92535 -111.93301 4.99234 2.21850 -112.29871 662.53709
4720.0000 -115.43985 -110.89192 4.54792 2.31101 -111.07685 755.17891
4725.0000 -116.58848 -112.34668 4.24180 2.29080 -111.34384 757.94650
4730.0000 -116.39751 -112.04864 4.34887 2.21116 -112.39570 695.81512
4735.0000 -115.43586 -110.78691 4.64895 2.32448 -110.89896 765.20585
4740.0000 -115.33472 -110.73417 4.60055 2.32306 -110.91772 738.09648
4745.0000 -116.98097 -111.84078 5.14019 2.33736 -110.72885 759.74962
4750.0000 -116.18936 -111.82056 4.36880 2.28191 -111.46120 758.98473
FREEZING PROCESS: loop number 20 T-loop= 725.00000000000000
main_MD> interactions number 20 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.35108 -2.24777 -1.92277
force_rgl> df(natom) 2.06142 -3.49677 -3.74194
4755.0000 -116.60650 -111.85654 4.74996 2.24673 -111.92579 705.60809
4760.0000 -116.10958 -112.15671 3.95287 2.20636 -112.45904 687.94889
4765.0000 -116.97781 -112.16171 4.81610 2.22025 -112.27554 665.13390
4770.0000 -115.83222 -112.29798 3.53424 2.23869 -112.03201 713.05452
4775.0000 -116.77787 -111.61934 5.15853 2.29811 -111.24722 771.38729
4780.0000 -114.80132 -110.39649 4.40482 2.29293 -111.31560 746.17848
4785.0000 -116.76837 -111.78798 4.98039 2.32097 -110.94536 753.24546
4790.0000 -115.56052 -110.73970 4.82082 2.30664 -111.13463 722.36804
4795.0000 -116.09446 -111.36288 4.73158 2.28089 -111.47461 732.25374
4800.0000 -116.21426 -112.16170 4.05256 2.24179 -111.99114 690.07559
4805.0000 -115.17404 -111.00085 4.17319 2.26196 -111.72475 716.87448
4810.0000 -115.18735 -111.26849 3.91886 2.28944 -111.36178 722.02548
4815.0000 -114.63573 -110.39251 4.24323 2.32783 -110.85465 778.93454
4820.0000 -115.08938 -110.37664 4.71274 2.32724 -110.86254 788.65478
4825.0000 -115.36196 -111.42530 3.93666 2.36382 -110.37932 758.66774
4830.0000 -116.01369 -111.58147 4.43222 2.27728 -111.52234 711.86864
4835.0000 -115.90305 -112.21193 3.69113 2.21051 -112.40423 664.00766
4840.0000 -116.75964 -112.99983 3.75980 2.23502 -112.08055 731.46285
4845.0000 -116.76673 -112.12351 4.64321 2.21086 -112.39958 671.87148
4850.0000 -116.55949 -111.44637 5.11312 2.28848 -111.37440 735.19777
4855.0000 -116.28046 -111.52983 4.75063 2.26186 -111.72599 713.87086
4860.0000 -116.85073 -113.00347 3.84726 2.23816 -112.03899 703.95285
4865.0000 -116.44376 -112.14102 4.30273 2.18759 -112.70692 650.78887
4870.0000 -117.42510 -112.72463 4.70047 2.21064 -112.40249 688.23463
4875.0000 -117.29270 -112.91353 4.37917 2.15607 -113.12326 656.04122
4880.0000 -117.27668 -112.36853 4.90815 2.18823 -112.69847 671.01415
4885.0000 -116.25264 -112.26609 3.98655 2.20612 -112.46223 690.05261
4890.0000 -115.66510 -111.75026 3.91484 2.25335 -111.83843 700.40720
4895.0000 -116.00743 -112.19481 3.81261 2.27019 -111.61595 715.24563
4900.0000 -115.06022 -110.88611 4.17411 2.28801 -111.38065 701.40908
4905.0000 -115.87648 -111.34596 4.53052 2.31861 -110.97646 754.12909
4910.0000 -116.29396 -112.29979 3.99417 2.27109 -111.60417 718.98802
4915.0000 -116.30698 -111.11727 5.18971 2.24269 -111.97923 685.95774
4920.0000 -115.66859 -111.66074 4.00785 2.26586 -111.67320 680.37955
4925.0000 -115.94137 -111.89795 4.04342 2.25972 -111.75434 697.72278
4930.0000 -115.55246 -111.72457 3.82789 2.26606 -111.67051 727.87903
4935.0000 -115.53984 -110.55385 4.98599 2.28650 -111.40052 710.42082
4940.0000 -116.21744 -111.94732 4.27011 2.25361 -111.83499 684.06892
4945.0000 -116.37345 -111.63836 4.73509 2.25719 -111.78776 704.23919
4950.0000 -116.17413 -111.88680 4.28734 2.26992 -111.61961 727.07552
4955.0000 -115.93066 -111.94423 3.98643 2.25931 -111.75963 677.50584
4960.0000 -115.04533 -110.80975 4.23558 2.26976 -111.62164 676.05108
4965.0000 -116.57965 -112.52582 4.05384 2.27059 -111.61071 698.48030
4970.0000 -115.54251 -111.01303 4.52947 2.24903 -111.89547 721.95300
4975.0000 -115.92161 -110.25981 5.66180 2.35269 -110.52638 771.70074
4980.0000 -115.17057 -110.38746 4.78311 2.43102 -109.49179 857.37522
4985.0000 -116.25376 -111.65123 4.60252 2.32983 -110.82828 764.56454
4990.0000 -116.47238 -112.29258 4.17980 2.24420 -111.95930 691.60830
4995.0000 -114.76122 -109.76813 4.99309 2.31858 -110.97688 758.44103
5000.0000 -115.74867 -111.68678 4.06189 2.31738 -110.99270 764.79864
FREEZING PROCESS: loop number 21 T-loop= 700.00000000000000
main_MD> interactions number 21 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57751 -0.68616 -0.96384
force_rgl> df(natom) -1.26481 0.12952 1.64291
5005.0000 -116.41504 -111.22346 5.19158 2.29259 -111.32008 740.37919
5010.0000 -116.23483 -111.55908 4.67575 2.29570 -111.27906 761.87314
5015.0000 -115.71008 -111.43854 4.27154 2.31528 -111.02048 752.44396
5020.0000 -116.15154 -111.87711 4.27443 2.29224 -111.32482 755.84377
5025.0000 -116.42748 -110.98941 5.43807 2.28167 -111.46432 732.25055
5030.0000 -117.07385 -111.95380 5.12005 2.20490 -112.47828 661.82540
5035.0000 -116.95929 -112.09238 4.86691 2.20684 -112.45268 674.85518
5040.0000 -115.60518 -111.88077 3.72441 2.25020 -111.88005 716.47604
5045.0000 -116.44350 -112.83694 3.60656 2.21722 -112.31562 691.44114
5050.0000 -116.19459 -112.25791 3.93668 2.16959 -112.94465 648.17522
5055.0000 -117.19622 -113.16834 4.02788 2.21483 -112.34719 671.39140
5060.0000 -116.51567 -112.57943 3.93624 2.15827 -113.09420 663.55580
5065.0000 -116.62525 -112.71115 3.91410 2.18321 -112.76478 666.80949
5070.0000 -117.67016 -113.81563 3.85453 2.13235 -113.43653 638.92692
5075.0000 -117.10919 -111.91744 5.19176 2.15431 -113.14656 638.36136
5080.0000 -117.17920 -112.74875 4.43045 2.23760 -112.04642 679.94772
5085.0000 -115.44979 -110.85452 4.59527 2.23435 -112.08940 725.18082
5090.0000 -115.88330 -111.56413 4.31917 2.29994 -111.22304 750.14238
5095.0000 -116.56805 -113.05010 3.51795 2.20521 -112.47417 663.82708
5100.0000 -116.80409 -113.30690 3.49719 2.16061 -113.06324 635.42551
5105.0000 -117.45008 -113.57574 3.87433 2.12310 -113.55869 586.12649
5110.0000 -116.56905 -112.96884 3.60020 2.18002 -112.80687 634.84290
5115.0000 -116.07904 -111.92251 4.15653 2.16864 -112.95726 654.12395
5120.0000 -117.13608 -112.63840 4.49768 2.24204 -111.98783 694.35551
5125.0000 -115.43747 -111.53865 3.89882 2.22383 -112.22836 683.63820
5130.0000 -116.87096 -112.30239 4.56857 2.22105 -112.26496 666.19620
5135.0000 -115.80673 -111.05885 4.74788 2.26332 -111.70668 701.60399
5140.0000 -116.34279 -111.61418 4.72861 2.29110 -111.33975 733.80074
5145.0000 -116.90206 -113.22942 3.67263 2.22891 -112.16115 711.96061
5150.0000 -116.76964 -113.15231 3.61734 2.15120 -113.18758 625.94151
5155.0000 -116.11993 -111.90431 4.21562 2.17553 -112.86621 634.00043
5160.0000 -115.45670 -110.30642 5.15028 2.26659 -111.66358 724.22460
5165.0000 -115.30788 -110.37219 4.93569 2.32620 -110.87628 749.18450
5170.0000 -115.77049 -111.40176 4.36873 2.32242 -110.92612 769.44752
5175.0000 -116.49187 -111.47300 5.01886 2.28823 -111.37770 742.45671
5180.0000 -116.31954 -112.21568 4.10386 2.23159 -112.12575 689.88146
5185.0000 -115.92027 -111.12018 4.80009 2.29271 -111.31858 773.48258
5190.0000 -116.84427 -112.32820 4.51607 2.26050 -111.74396 698.34378
5195.0000 -116.42956 -112.20784 4.22172 2.24664 -111.92700 712.53327
5200.0000 -116.68979 -111.77690 4.91288 2.20166 -112.52111 634.10367
5205.0000 -116.29689 -112.06532 4.23158 2.23331 -112.10312 652.36732
5210.0000 -116.95292 -112.53006 4.42285 2.22333 -112.23488 698.09794
5215.0000 -117.41480 -113.56232 3.85248 2.17676 -112.84995 661.84938
5220.0000 -116.71074 -113.27225 3.43849 2.11936 -113.60805 589.23109
5225.0000 -117.30223 -112.94834 4.35389 2.16709 -112.97768 613.62259
5230.0000 -116.45674 -112.37542 4.08132 2.21720 -112.31581 677.46011
5235.0000 -116.08627 -112.15878 3.92749 2.20599 -112.46387 648.13656
5240.0000 -117.09203 -112.92530 4.16674 2.17132 -112.92184 654.59627
5245.0000 -117.36926 -113.19290 4.17635 2.17479 -112.87604 672.82716
5250.0000 -116.37997 -112.55691 3.82306 2.19806 -112.56861 684.15502
FREEZING PROCESS: loop number 22 T-loop= 675.00000000000000
main_MD> interactions number 22 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.62216 -0.83338 -2.70322
force_rgl> df(natom) -0.19074 -0.46436 -0.56898
5255.0000 -117.12096 -113.45061 3.67035 2.17938 -112.81542 654.69673
5260.0000 -117.11296 -113.14262 3.97035 2.16213 -113.04321 607.76425
5265.0000 -116.70797 -112.10731 4.60066 2.23384 -112.09603 662.96568
5270.0000 -116.31828 -112.05294 4.26534 2.24092 -112.00262 687.71325
5275.0000 -115.56495 -111.56480 4.00016 2.28520 -111.41769 752.69936
5280.0000 -116.81459 -113.28856 3.52603 2.18598 -112.72823 673.66297
5285.0000 -116.89438 -113.25606 3.63832 2.13035 -113.46296 599.39316
5290.0000 -117.24084 -113.49142 3.74942 2.10804 -113.75758 592.78710
5295.0000 -117.52507 -113.74844 3.77663 2.13842 -113.35635 601.13563
5300.0000 -117.51388 -112.91524 4.59864 2.15865 -113.08918 624.08106
5305.0000 -116.58326 -112.41397 4.16930 2.15585 -113.12611 606.51633
5310.0000 -114.87250 -111.10881 3.76369 2.23451 -112.08719 682.14134
5315.0000 -116.87522 -111.95483 4.92039 2.25870 -111.76780 688.51432
5320.0000 -116.57389 -112.07632 4.49757 2.24026 -112.01130 712.08930
5325.0000 -116.95697 -113.12532 3.83165 2.16361 -113.02367 625.95967
5330.0000 -117.13572 -112.24950 4.88622 2.17036 -112.93450 658.39307
5335.0000 -117.18263 -112.80774 4.37489 2.15944 -113.07874 643.06473
5340.0000 -117.03015 -112.85043 4.17972 2.16337 -113.02684 648.84393
5345.0000 -116.65787 -112.52286 4.13501 2.17150 -112.91941 650.09122
5350.0000 -116.22674 -112.47856 3.74818 2.20460 -112.48222 680.80201
5355.0000 -117.26159 -113.26266 3.99893 2.21759 -112.31068 661.05944
5360.0000 -117.07386 -112.93381 4.14005 2.16068 -113.06231 630.61579
5365.0000 -118.02949 -113.62233 4.40716 2.13633 -113.38399 614.25879
5370.0000 -116.31274 -112.78183 3.53091 2.16717 -112.97659 625.35293
5375.0000 -116.54450 -111.76536 4.77913 2.24328 -111.97136 711.93087
5380.0000 -116.61214 -112.62169 3.99044 2.18251 -112.77411 671.94924
5385.0000 -117.17795 -113.09929 4.07867 2.17939 -112.81531 629.96633
5390.0000 -116.66835 -113.11089 3.55746 2.18576 -112.73113 691.49580
5395.0000 -115.83273 -111.62395 4.20878 2.21265 -112.37593 685.54258
5400.0000 -116.28060 -112.44886 3.83174 2.31087 -111.07871 793.26926
5405.0000 -116.87127 -112.93701 3.93426 2.18143 -112.78830 651.25844
5410.0000 -115.62868 -111.70141 3.92727 2.22706 -112.18566 667.21795
5415.0000 -115.85091 -111.21300 4.63791 2.28118 -111.47084 744.60473
5420.0000 -116.67433 -111.71377 4.96056 2.24874 -111.89925 716.15380
5425.0000 -116.36735 -111.92302 4.44433 2.21582 -112.33412 685.97015
5430.0000 -115.91273 -112.41031 3.50242 2.24251 -111.98154 716.74331
5435.0000 -116.31774 -112.06957 4.24817 2.18572 -112.73165 660.62458
5440.0000 -116.36001 -111.81255 4.54746 2.21963 -112.28381 678.59739
5445.0000 -117.16720 -112.79805 4.36915 2.20052 -112.53619 666.44628
5450.0000 -116.29321 -111.46454 4.82868 2.23808 -112.04011 701.20073
5455.0000 -115.87816 -112.66686 3.21130 2.22688 -112.18803 691.20895
5460.0000 -116.62692 -112.16390 4.46302 2.19584 -112.59804 638.62092
5465.0000 -115.14815 -110.19196 4.95620 2.32136 -110.94018 750.21063
5470.0000 -117.52928 -113.41210 4.11719 2.24723 -111.91918 707.74799
5475.0000 -116.59521 -112.74611 3.84911 2.17810 -112.83234 646.74564
5480.0000 -117.27476 -113.13225 4.14251 2.19534 -112.60454 684.61336
5485.0000 -118.52241 -114.40821 4.11420 2.15713 -113.10920 635.18146
5490.0000 -117.66090 -112.98673 4.67417 2.14654 -113.24912 636.03411
5495.0000 -116.43931 -112.69180 3.74751 2.18512 -112.73961 656.17426
5500.0000 -115.81969 -111.57945 4.24024 2.24494 -111.94946 703.44027
FREEZING PROCESS: loop number 23 T-loop= 650.00000000000000
main_MD> interactions number 23 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.14631 1.93458 -0.31210
force_rgl> df(natom) 0.56967 -2.92736 -1.75082
5505.0000 -116.56217 -111.98749 4.57468 2.27472 -111.55617 690.44706
5510.0000 -116.55729 -112.05803 4.49926 2.25218 -111.85393 697.16673
5515.0000 -116.02017 -112.15744 3.86273 2.24393 -111.96287 689.13572
5520.0000 -116.01844 -111.79610 4.22234 2.23245 -112.11451 698.44053
5525.0000 -116.23393 -111.47380 4.76013 2.26504 -111.68406 708.76112
5530.0000 -116.70419 -112.68789 4.01630 2.25484 -111.81867 707.54138
5535.0000 -116.70446 -113.34062 3.36383 2.14211 -113.30759 617.97349
5540.0000 -117.36344 -113.11016 4.25328 2.14883 -113.21893 630.95380
5545.0000 -116.75072 -111.87430 4.87643 2.20487 -112.47867 652.34050
5550.0000 -116.32735 -111.49220 4.83516 2.21439 -112.35293 653.42825
5555.0000 -114.88822 -110.86760 4.02062 2.28335 -111.44212 740.92447
5560.0000 -115.58504 -111.91971 3.66533 2.29468 -111.29250 720.12270
5565.0000 -116.44149 -111.70116 4.74034 2.27274 -111.58238 691.39322
5570.0000 -116.73824 -110.60285 6.13539 2.28285 -111.44874 713.37400
5575.0000 -116.56064 -113.05961 3.50103 2.23961 -112.01993 690.83033
5580.0000 -118.15896 -114.81267 3.34629 2.09169 -113.97351 581.56934
5585.0000 -117.99488 -113.78186 4.21302 2.06089 -114.38031 567.85619
5590.0000 -118.48793 -114.86775 3.62018 2.12956 -113.47337 640.52815
5595.0000 -116.98987 -113.39786 3.59201 2.07741 -114.16216 579.33020
5600.0000 -117.02787 -113.87776 3.15011 2.12108 -113.58539 622.43357
5605.0000 -117.75254 -113.47705 4.27549 2.12596 -113.52092 631.74039
5610.0000 -116.25227 -112.45542 3.79686 2.15325 -113.16046 643.60735
5615.0000 -117.20874 -112.81001 4.39873 2.22452 -112.21919 678.02031
5620.0000 -116.35880 -112.39625 3.96255 2.20989 -112.41241 660.98621
5625.0000 -117.95595 -113.47667 4.47928 2.18961 -112.68029 677.45621
5630.0000 -116.57151 -113.27495 3.29657 2.13005 -113.46695 603.04224
5635.0000 -117.31527 -113.37205 3.94322 2.16085 -113.06006 650.04495
5640.0000 -116.35344 -112.27715 4.07629 2.19162 -112.65375 646.69290
5645.0000 -116.46458 -112.10616 4.35842 2.24094 -112.00226 693.14422
5650.0000 -116.50013 -112.91493 3.58520 2.19362 -112.62732 667.25581
5655.0000 -116.71942 -113.01760 3.70182 2.17377 -112.88948 644.41533
5660.0000 -117.07267 -113.14905 3.92361 2.13330 -113.42394 595.50318
5665.0000 -117.41539 -112.94213 4.47327 2.12260 -113.56537 605.11046
5670.0000 -116.88563 -113.07216 3.81347 2.19872 -112.55997 676.42041
5675.0000 -116.62846 -112.93277 3.69569 2.15484 -113.13947 655.66084
5680.0000 -117.20409 -112.44606 4.75804 2.18610 -112.72664 655.11929
5685.0000 -115.81261 -111.84390 3.96872 2.19936 -112.55143 693.71387
5690.0000 -116.10496 -112.21763 3.88733 2.22623 -112.19663 703.66528
5695.0000 -115.75886 -111.26195 4.49691 2.25577 -111.80639 682.38799
5700.0000 -117.44039 -112.94075 4.49963 2.24872 -111.89962 687.07644
5705.0000 -117.64347 -113.85644 3.78703 2.16265 -113.03633 624.24694
5710.0000 -116.79411 -112.97044 3.82367 2.12454 -113.53965 603.03754
5715.0000 -116.81362 -112.10251 4.71111 2.22513 -112.21107 662.26774
5720.0000 -116.44969 -111.86232 4.58737 2.24706 -111.92152 731.19949
5725.0000 -116.91511 -112.86474 4.05037 2.22069 -112.26981 690.16982
5730.0000 -115.63543 -111.25296 4.38248 2.25323 -111.83999 702.54334
5735.0000 -115.90971 -112.73339 3.17632 2.21712 -112.31687 648.90995
5740.0000 -117.08322 -112.41035 4.67287 2.18189 -112.78229 618.41452
5745.0000 -114.21641 -110.45618 3.76023 2.24675 -111.92555 732.69143
5750.0000 -115.81351 -111.38771 4.42580 2.31790 -110.98581 772.16857
FREEZING PROCESS: loop number 24 T-loop= 625.00000000000000
main_MD> interactions number 24 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.07374 -0.68614 1.25168
force_rgl> df(natom) -0.11359 1.80926 1.89602
5755.0000 -116.59895 -112.86917 3.72978 2.23227 -112.11687 732.32739
5760.0000 -116.62034 -112.76588 3.85446 2.20620 -112.46119 683.12203
5765.0000 -117.05329 -113.70715 3.34614 2.12599 -113.52050 590.48889
5770.0000 -117.24465 -113.75576 3.48890 2.15189 -113.17850 620.78067
5775.0000 -118.08222 -114.15735 3.92487 2.09501 -113.92973 571.37798
5780.0000 -117.54689 -113.55814 3.98875 2.10178 -113.84028 582.57992
5785.0000 -117.37520 -113.29771 4.07749 2.12090 -113.58779 622.06782
5790.0000 -117.15323 -113.20079 3.95244 2.19428 -112.61860 631.61443
5795.0000 -117.62528 -113.06993 4.55535 2.17454 -112.87934 647.56833
5800.0000 -117.07437 -112.60598 4.46839 2.18542 -112.73567 651.56210
5805.0000 -116.69985 -112.84907 3.85078 2.18571 -112.73183 640.45874
5810.0000 -116.87732 -112.95274 3.92458 2.22149 -112.25917 687.39159
5815.0000 -118.16825 -113.29958 4.86867 2.14535 -113.26479 606.76315
5820.0000 -117.35738 -113.42291 3.93447 2.13942 -113.34315 618.76425
5825.0000 -117.06241 -113.50857 3.55384 2.13012 -113.46601 575.96676
5830.0000 -116.98267 -113.32249 3.66018 2.08096 -114.11534 566.45231
5835.0000 -116.83787 -112.31419 4.52368 2.20966 -112.41542 700.12660
5840.0000 -117.39903 -113.03575 4.36328 2.15403 -113.15016 640.01834
5845.0000 -116.95708 -112.68688 4.27019 2.16371 -113.02233 642.52465
5850.0000 -117.00690 -113.43546 3.57144 2.17613 -112.85833 645.54157
5855.0000 -117.97305 -114.45336 3.51969 2.10278 -113.82714 595.85143
5860.0000 -117.70413 -114.26089 3.44324 2.08908 -114.00810 556.20876
5865.0000 -117.65906 -113.53383 4.12522 2.12443 -113.54111 590.24472
5870.0000 -116.92054 -112.57062 4.34992 2.15047 -113.19716 658.78863
5875.0000 -116.37197 -112.93176 3.44021 2.21865 -112.29673 687.25080
5880.0000 -117.07709 -112.98621 4.09088 2.15967 -113.07574 644.05035
5885.0000 -116.24631 -112.12485 4.12146 2.18675 -112.71802 670.38259
5890.0000 -117.02122 -112.14456 4.87666 2.22791 -112.17437 657.76543
5895.0000 -116.91068 -112.40596 4.50472 2.23051 -112.14001 687.91406
5900.0000 -117.35284 -113.32175 4.03109 2.19099 -112.66200 648.05418
5905.0000 -117.32423 -113.66927 3.65496 2.14965 -113.20807 629.47341
5910.0000 -117.20697 -113.53411 3.67286 2.08704 -114.03493 594.91179
5915.0000 -117.10765 -113.25735 3.85030 2.11965 -113.60425 606.25174
5920.0000 -116.27061 -112.42023 3.85038 2.16999 -112.93947 673.92130
5925.0000 -117.04680 -113.19773 3.84907 2.17281 -112.90212 639.87139
5930.0000 -117.06187 -112.75577 4.30609 2.19135 -112.65728 643.69684
5935.0000 -116.64974 -112.43065 4.21909 2.21978 -112.28183 672.28999
5940.0000 -117.15272 -113.29855 3.85416 2.16635 -112.98749 658.02981
5945.0000 -117.89113 -114.64462 3.24650 2.09712 -113.90186 611.21280
5950.0000 -117.83984 -115.12161 2.71823 2.01064 -115.04399 524.37227
5955.0000 -118.18083 -114.99310 3.18773 1.99961 -115.18976 504.63915
5960.0000 -117.48460 -113.95543 3.52917 2.05467 -114.46247 572.19785
5965.0000 -116.63920 -112.55391 4.08529 2.14764 -113.23461 629.53336
5970.0000 -116.85317 -113.21015 3.64302 2.18844 -112.69572 632.52638
5975.0000 -116.99222 -113.32730 3.66492 2.15052 -113.19658 610.56121
5980.0000 -115.60786 -111.71130 3.89656 2.20259 -112.50886 679.19785
5985.0000 -116.24923 -112.76949 3.47973 2.20996 -112.41151 672.20644
5990.0000 -117.69081 -114.18284 3.50797 2.10897 -113.74531 583.07847
5995.0000 -117.96052 -114.60859 3.35193 2.09228 -113.96571 584.30294
6000.0000 -117.37457 -113.76419 3.61038 2.05354 -114.47743 557.52590
FREEZING PROCESS: loop number 25 T-loop= 600.00000000000000
main_MD> interactions number 25 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.29168 -0.29469 -1.38950
force_rgl> df(natom) 0.97153 0.05696 0.01463
6005.0000 -117.07739 -113.51423 3.56316 2.09538 -113.92480 587.99132
6010.0000 -118.46363 -115.01790 3.44573 2.06640 -114.30757 574.67759
6015.0000 -118.77680 -114.72149 4.05531 2.01539 -114.98131 528.97761
6020.0000 -118.52722 -115.31840 3.20882 2.03058 -114.78063 544.32626
6025.0000 -118.68926 -114.89186 3.79740 2.03388 -114.73713 539.35593
6030.0000 -117.60859 -114.09922 3.50937 2.05910 -114.40397 557.85351
6035.0000 -117.13337 -113.98047 3.15289 2.09695 -113.90415 616.94017
6040.0000 -116.96181 -113.23715 3.72466 2.07072 -114.25058 576.77042
6045.0000 -118.05372 -114.90240 3.15132 2.05752 -114.42484 557.68642
6050.0000 -116.85150 -112.70530 4.14620 2.12652 -113.51357 618.31556
6055.0000 -117.07322 -113.00718 4.06605 2.21882 -112.29441 658.02902
6060.0000 -117.16644 -113.82727 3.33917 2.14706 -113.24224 641.55111
6065.0000 -118.14247 -114.57684 3.56563 2.06573 -114.31643 597.75345
6070.0000 -117.29967 -113.55826 3.74141 2.10492 -113.79878 589.35628
6075.0000 -116.59447 -112.77791 3.81656 2.14163 -113.31391 625.32404
6080.0000 -116.75714 -112.37439 4.38275 2.20111 -112.52835 651.08696
6085.0000 -118.06574 -114.38288 3.68286 2.13473 -113.40511 606.93292
6090.0000 -117.19914 -113.48658 3.71256 2.07734 -114.16312 551.52854
6095.0000 -116.57667 -112.44899 4.12768 2.16666 -112.98340 613.57423
6100.0000 -117.38271 -113.56920 3.81351 2.13512 -113.39998 617.40695
6105.0000 -117.16138 -113.70829 3.45309 2.14314 -113.29405 616.44906
6110.0000 -116.36592 -112.63080 3.73512 2.16401 -113.01843 625.65021
6115.0000 -117.72088 -113.50816 4.21272 2.17149 -112.91962 649.10736
6120.0000 -116.89069 -113.26740 3.62329 2.15389 -113.15207 638.88573
6125.0000 -117.76446 -114.21968 3.54478 2.08458 -114.06745 567.24975
6130.0000 -117.61718 -113.74909 3.86809 2.10021 -113.86105 590.92909
6135.0000 -117.36866 -113.49472 3.87394 2.15147 -113.18406 616.06317
6140.0000 -118.10361 -114.18144 3.92216 2.11085 -113.72046 590.47593
6145.0000 -118.03199 -114.08032 3.95167 2.08461 -114.06707 585.92506
6150.0000 -118.30244 -114.81404 3.48840 2.07736 -114.16282 582.08729
6155.0000 -117.77586 -113.93881 3.83705 2.05639 -114.43985 562.28226
6160.0000 -118.42036 -114.46579 3.95457 2.07512 -114.19244 600.20974
6165.0000 -118.71596 -114.61506 4.10090 2.07318 -114.21806 598.15112
6170.0000 -117.35658 -114.12265 3.23393 2.08042 -114.12237 593.52452
6175.0000 -117.79434 -114.20413 3.59021 2.06368 -114.34351 577.59336
6180.0000 -116.80173 -113.70510 3.09664 2.09784 -113.89230 586.36148
6185.0000 -117.99357 -113.41112 4.58245 2.10504 -113.79726 591.46472
6190.0000 -117.05230 -113.79258 3.25972 2.14213 -113.30731 627.44483
6195.0000 -117.49506 -114.09660 3.39846 2.10839 -113.75303 594.31719
6200.0000 -118.32737 -114.30332 4.02404 2.05086 -114.51289 568.61186
6205.0000 -118.24770 -114.12153 4.12617 2.08144 -114.10900 592.37071
6210.0000 -117.58014 -113.55262 4.02752 2.11502 -113.66547 591.94091
6215.0000 -117.90594 -114.09689 3.80904 2.10204 -113.83687 588.08788
6220.0000 -117.65236 -113.68433 3.96804 2.07882 -114.14357 599.22796
6225.0000 -117.56672 -113.92722 3.63950 2.06843 -114.28077 584.96623
6230.0000 -117.70984 -114.06873 3.64111 2.08011 -114.12652 587.62913
6235.0000 -117.45054 -113.81941 3.63113 2.10593 -113.78552 611.15133
6240.0000 -116.82867 -113.22296 3.60570 2.11087 -113.72025 602.20069
6245.0000 -116.87543 -113.22873 3.64669 2.16305 -113.03109 607.82707
6250.0000 -117.20237 -113.38215 3.82022 2.14151 -113.31559 631.66190
FREEZING PROCESS: loop number 26 T-loop= 575.00000000000000
main_MD> interactions number 26 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21868 0.59329 0.96632
force_rgl> df(natom) -2.43470 1.19185 2.77857
6255.0000 -117.05399 -113.48592 3.56807 2.17881 -112.82292 677.62349
6260.0000 -116.74199 -113.34619 3.39580 2.13016 -113.46546 615.54637
6265.0000 -118.02280 -114.31593 3.70687 2.13298 -113.42824 623.22432
6270.0000 -118.40865 -114.79487 3.61378 2.07715 -114.16558 586.69559
6275.0000 -118.35041 -115.22576 3.12465 2.04296 -114.61714 565.77951
6280.0000 -118.23720 -115.20169 3.03551 2.00111 -115.16999 556.60779
6285.0000 -117.93925 -114.72493 3.21433 2.04725 -114.56054 564.30518
6290.0000 -117.88226 -114.64692 3.23535 2.03998 -114.65650 560.94750
6295.0000 -117.66010 -114.19639 3.46371 2.07508 -114.19289 584.88494
6300.0000 -117.90149 -114.32540 3.57609 2.06308 -114.35149 549.13822
6305.0000 -117.42594 -114.48338 2.94257 2.08465 -114.06654 559.74786
6310.0000 -117.64855 -113.70147 3.94708 2.09435 -113.93850 573.89561
6315.0000 -117.48238 -113.74381 3.73857 2.11881 -113.61543 609.00383
6320.0000 -117.72036 -114.05240 3.66795 2.06656 -114.30549 558.34850
6325.0000 -117.72140 -114.28054 3.44086 2.07876 -114.14431 552.17653
6330.0000 -117.21468 -113.55360 3.66108 2.05178 -114.50069 573.89098
6335.0000 -116.35259 -111.88758 4.46500 2.15007 -113.20254 634.04270
6340.0000 -117.33664 -113.69787 3.63878 2.17111 -112.92462 641.10351
6345.0000 -117.35066 -113.43409 3.91657 2.15327 -113.16024 604.60830
6350.0000 -118.20859 -113.73060 4.47799 2.11859 -113.61823 593.09159
6355.0000 -117.60294 -114.19341 3.40953 2.07784 -114.15655 574.29321
6360.0000 -117.74525 -114.48756 3.25769 2.06156 -114.37148 566.46767
6365.0000 -118.32287 -115.33411 2.98876 2.01004 -115.05194 543.25375
6370.0000 -117.93990 -114.61081 3.32910 2.02624 -114.83796 556.69854
6375.0000 -118.37509 -114.99189 3.38321 2.03276 -114.75194 530.81964
6380.0000 -117.56647 -114.02391 3.54256 2.06601 -114.31268 572.01804
6385.0000 -117.88616 -113.65359 4.23257 2.06707 -114.29876 546.86977
6390.0000 -116.86998 -113.19695 3.67303 2.11846 -113.62005 596.54342
6395.0000 -117.28846 -113.64376 3.64470 2.15193 -113.17800 597.84372
6400.0000 -117.37536 -113.82545 3.54991 2.10275 -113.82746 566.80429
6405.0000 -116.59048 -112.23586 4.35462 2.14310 -113.29461 614.47945
6410.0000 -117.58340 -114.14169 3.44171 2.12768 -113.49826 598.92921
6415.0000 -118.17232 -114.46827 3.70405 2.07225 -114.23031 549.99545
6420.0000 -119.03459 -114.41228 4.62231 2.05281 -114.48708 572.70655
6425.0000 -118.36398 -115.32620 3.03779 2.00734 -115.08768 540.77996
6430.0000 -118.89346 -116.01594 2.87752 1.98037 -115.44381 503.17466
6435.0000 -118.00547 -114.51595 3.48952 1.98588 -115.37106 527.57188
6440.0000 -117.33196 -113.46117 3.87079 2.05808 -114.41754 592.72463
6445.0000 -117.47788 -114.14072 3.33716 2.06887 -114.27500 579.79024
6450.0000 -118.40291 -114.95864 3.44427 2.06184 -114.36778 569.20089
6455.0000 -117.66909 -114.02761 3.64148 2.06274 -114.35594 582.21854
6460.0000 -117.95671 -114.75988 3.19683 2.05110 -114.50972 559.68251
6465.0000 -118.47466 -114.94390 3.53076 2.02045 -114.91444 533.03077
6470.0000 -117.67854 -114.16868 3.50986 2.04556 -114.58282 545.63903
6475.0000 -117.60512 -114.57113 3.03399 2.05663 -114.43662 539.15217
6480.0000 -117.38679 -114.01683 3.36996 2.07139 -114.24166 560.78251
6485.0000 -118.09198 -114.69104 3.40094 2.05323 -114.48153 539.30981
6490.0000 -117.51226 -112.99495 4.51732 2.07679 -114.17042 576.00861
6495.0000 -117.47846 -113.80555 3.67291 2.12822 -113.49113 608.97739
6500.0000 -118.13990 -114.07373 4.06617 2.09627 -113.91313 590.35523
FREEZING PROCESS: loop number 27 T-loop= 550.00000000000000
main_MD> interactions number 27 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.54746 -0.66764 -1.45542
force_rgl> df(natom) -2.69266 1.65893 -1.12761
6505.0000 -117.90961 -114.77618 3.13343 2.04234 -114.62533 536.75608
6510.0000 -118.60458 -115.10170 3.50288 2.01719 -114.95753 520.67378
6515.0000 -118.56238 -114.98824 3.57414 2.02234 -114.88950 512.13280
6520.0000 -117.71702 -113.71009 4.00694 2.04741 -114.55840 550.49818
6525.0000 -117.58181 -114.52084 3.06097 2.09546 -113.92377 578.60934
6530.0000 -118.02353 -114.27766 3.74588 2.01919 -114.93110 513.63902
6535.0000 -117.80305 -114.51972 3.28333 2.07834 -114.14989 597.43908
6540.0000 -117.47104 -114.24721 3.22383 2.02440 -114.86232 541.13050
6545.0000 -117.97078 -114.29968 3.67110 2.08236 -114.09679 596.48082
6550.0000 -118.79715 -115.72189 3.07526 2.00569 -115.10942 548.10206
6555.0000 -118.44094 -115.16010 3.28084 1.98474 -115.38616 526.75895
6560.0000 -118.05352 -114.26923 3.78428 2.00933 -115.06133 543.51149
6565.0000 -118.15756 -114.94492 3.21264 2.07115 -114.24484 599.20930
6570.0000 -117.87755 -114.32835 3.54919 2.04329 -114.61283 542.06270
6575.0000 -117.38750 -113.70528 3.68222 2.07029 -114.25626 573.48729
6580.0000 -117.05774 -113.22662 3.83112 2.11645 -113.64651 601.84622
6585.0000 -117.05527 -113.52382 3.53145 2.15530 -113.13346 630.59259
6590.0000 -117.79479 -114.21936 3.57543 2.11074 -113.72200 601.18703
6595.0000 -118.15142 -114.70049 3.45092 2.04286 -114.61856 560.12333
6600.0000 -118.91777 -115.48699 3.43078 2.01225 -115.02278 513.12261
6605.0000 -118.45285 -115.84097 2.61188 1.98041 -115.44334 485.69743
6610.0000 -118.54201 -115.24378 3.29823 1.96211 -115.68502 483.38043
6615.0000 -119.03864 -115.36878 3.66986 2.02837 -114.80990 557.53322
6620.0000 -117.74092 -114.33338 3.40755 2.04758 -114.55620 553.21973
6625.0000 -117.54854 -114.43197 3.11657 2.07548 -114.18765 561.89439
6630.0000 -117.36424 -113.86153 3.50271 2.06715 -114.29763 559.27421
6635.0000 -118.35727 -115.06147 3.29581 2.02046 -114.91435 532.88561
6640.0000 -118.18284 -114.69568 3.48716 2.04638 -114.57200 565.53675
6645.0000 -118.69862 -115.39078 3.30784 2.01309 -115.01173 522.77475
6650.0000 -119.01173 -115.27282 3.73891 2.00528 -115.11480 524.05820
6655.0000 -118.20150 -114.04649 4.15501 2.05224 -114.49456 559.84548
6660.0000 -117.98627 -114.40438 3.58189 2.08100 -114.11478 572.29298
6665.0000 -118.20437 -114.32904 3.87533 2.10296 -113.82473 605.86910
6670.0000 -118.04195 -114.81848 3.22346 2.02619 -114.83866 542.66305
6675.0000 -118.32864 -115.08843 3.24021 1.99254 -115.28314 503.55222
6680.0000 -117.77100 -113.73677 4.03423 2.09219 -113.96694 582.72383
6685.0000 -117.79159 -114.52877 3.26283 2.08420 -114.07256 561.91975
6690.0000 -117.08002 -113.70644 3.37358 2.09406 -113.94230 550.93613
6695.0000 -117.53094 -113.42823 4.10272 2.13496 -113.40205 584.45992
6700.0000 -117.10831 -113.86893 3.23938 2.07984 -114.13014 557.52716
6705.0000 -116.93327 -113.20965 3.72363 2.08378 -114.07800 574.25299
6710.0000 -117.31983 -113.57639 3.74344 2.12253 -113.56620 616.75336
6715.0000 -117.91163 -114.02550 3.88613 2.10080 -113.85320 606.12667
6720.0000 -118.01889 -114.23733 3.78155 2.09620 -113.91405 600.15097
6725.0000 -118.34269 -114.25119 4.09149 2.06782 -114.28881 574.16480
6730.0000 -117.92081 -114.37020 3.55061 2.03350 -114.74212 547.86337
6735.0000 -117.30005 -113.79991 3.50014 2.06732 -114.29543 552.85430
6740.0000 -118.30396 -114.38825 3.91571 2.07154 -114.23973 569.30967
6745.0000 -117.00569 -113.03624 3.96945 2.13102 -113.45409 632.36493
6750.0000 -117.79601 -113.75059 4.04543 2.11931 -113.60883 642.31693
FREEZING PROCESS: loop number 28 T-loop= 525.00000000000000
main_MD> interactions number 28 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17006 -0.35353 -0.00882
force_rgl> df(natom) -2.43091 -4.11357 -1.72228
6755.0000 -117.82602 -114.33866 3.48735 2.01220 -115.02348 533.30322
6760.0000 -118.52160 -115.25992 3.26168 2.04671 -114.56768 539.99354
6765.0000 -118.97574 -115.68197 3.29377 1.99804 -115.21050 511.63955
6770.0000 -118.43643 -115.55594 2.88048 1.96801 -115.60712 496.11909
6775.0000 -118.70343 -115.84657 2.85686 1.97153 -115.56058 502.56361
6780.0000 -118.80428 -115.41390 3.39038 1.95965 -115.71745 489.44955
6785.0000 -119.41296 -116.68437 2.72859 1.93188 -116.08433 468.82518
6790.0000 -118.89077 -115.38930 3.50147 1.94702 -115.88434 476.05030
6795.0000 -118.40972 -115.19655 3.21317 1.99135 -115.29889 506.83503
6800.0000 -117.90570 -114.24596 3.65974 2.03534 -114.71787 529.52177
6805.0000 -118.00914 -114.78474 3.22440 2.04882 -114.53975 554.40147
6810.0000 -117.82756 -114.05379 3.77378 2.03312 -114.74719 564.60670
6815.0000 -118.30334 -114.37233 3.93101 2.06332 -114.34830 593.78499
6820.0000 -117.85217 -115.16280 2.68936 2.00941 -115.06028 526.30423
6825.0000 -118.36966 -114.58251 3.78715 2.01178 -115.02893 534.17052
6830.0000 -118.51680 -115.27168 3.24512 2.01891 -114.93489 552.32516
6835.0000 -117.68103 -114.80000 2.88104 1.99972 -115.18827 495.04495
6840.0000 -118.10095 -114.55189 3.54906 2.02780 -114.81737 497.30876
6845.0000 -118.10351 -114.76414 3.33938 2.01521 -114.98366 517.07690
6850.0000 -118.49580 -115.16391 3.33189 2.06877 -114.27632 596.21509
6855.0000 -118.45328 -115.34143 3.11185 2.00942 -115.06017 517.87564
6860.0000 -117.83952 -115.14696 2.69255 2.03764 -114.68751 548.34288
6865.0000 -117.85698 -114.35851 3.49847 2.04801 -114.55048 554.06646
6870.0000 -117.60901 -114.85529 2.75372 2.03217 -114.75973 504.57428
6875.0000 -117.95620 -114.42122 3.53499 2.08956 -114.00170 571.98328
6880.0000 -117.85745 -114.04513 3.81231 2.05035 -114.51951 576.36157
6885.0000 -116.82671 -114.07218 2.75453 2.07265 -114.22506 568.95180
6890.0000 -118.41559 -114.64408 3.77150 2.06145 -114.37292 540.58894
6895.0000 -118.33416 -115.56895 2.76521 1.99125 -115.30011 483.16658
6900.0000 -119.55154 -116.16990 3.38164 1.95046 -115.83884 460.25575
6905.0000 -118.36509 -114.83029 3.53481 2.00232 -115.15400 520.74893
6910.0000 -118.37452 -115.29010 3.08442 2.00091 -115.17258 509.63991
6915.0000 -117.44510 -114.66966 2.77544 2.04270 -114.62064 550.82850
6920.0000 -117.86256 -114.74568 3.11688 2.04129 -114.63922 519.18213
6925.0000 -118.47809 -115.52530 2.95279 1.96272 -115.67699 469.00629
6930.0000 -118.38813 -115.45059 2.93753 1.98069 -115.43960 508.81214
6935.0000 -117.36809 -113.75502 3.61306 2.01960 -114.92569 531.80856
6940.0000 -118.99889 -115.38633 3.61256 2.01852 -114.94001 513.83780
6945.0000 -118.15166 -115.47818 2.67348 1.99543 -115.24497 505.06650
6950.0000 -117.89372 -114.42441 3.46931 2.03209 -114.76075 534.75992
6955.0000 -118.29124 -115.01410 3.27714 2.02730 -114.82401 526.44373
6960.0000 -118.43357 -115.75185 2.68172 1.99572 -115.24113 502.29055
6965.0000 -118.68750 -116.10794 2.57957 1.94190 -115.95199 464.27004
6970.0000 -117.68188 -115.17479 2.50709 1.93918 -115.98789 473.97338
6975.0000 -117.56745 -114.57596 2.99149 2.02560 -114.84651 524.39429
6980.0000 -118.41083 -115.21104 3.19979 2.03105 -114.77443 532.46855
6985.0000 -118.63893 -115.20164 3.43729 1.99297 -115.27737 501.72671
6990.0000 -117.97761 -115.10424 2.87336 2.00429 -115.12795 537.79671
6995.0000 -117.95076 -115.33247 2.61829 2.04147 -114.63686 556.28933
7000.0000 -118.93079 -115.63387 3.29692 1.96403 -115.65969 503.24649
FREEZING PROCESS: loop number 29 T-loop= 500.00000000000000
main_MD> interactions number 29 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57843 -1.07452 -3.89622
force_rgl> df(natom) 0.94820 -0.31239 -1.13980
7005.0000 -118.51543 -115.41116 3.10427 1.97875 -115.46531 503.12875
7010.0000 -118.02074 -115.12385 2.89689 1.98125 -115.43224 485.77788
7015.0000 -117.31737 -114.42011 2.89726 2.03542 -114.71677 541.48807
7020.0000 -118.38558 -115.24990 3.13568 1.97899 -115.46203 482.26241
7025.0000 -118.20938 -115.14711 3.06227 1.98851 -115.33634 503.07619
7030.0000 -118.15177 -114.83939 3.31238 2.01741 -114.95470 549.62892
7035.0000 -118.59847 -115.46483 3.13364 1.98305 -115.40843 505.06191
7040.0000 -119.02880 -116.10143 2.92737 1.97702 -115.48809 492.25581
7045.0000 -118.63282 -115.73622 2.89660 1.93116 -116.09375 460.21962
7050.0000 -118.84711 -116.10667 2.74043 1.92926 -116.11896 453.26326
7055.0000 -119.10721 -116.16904 2.93817 1.92508 -116.17412 436.26610
7060.0000 -118.76957 -115.60894 3.16063 1.95977 -115.71593 470.24330
7065.0000 -118.86364 -116.41406 2.44958 1.94979 -115.84777 470.91849
7070.0000 -119.22823 -115.60836 3.61987 1.94085 -115.96580 476.07504
7075.0000 -119.41139 -116.21018 3.20121 1.94932 -115.85388 474.63802
7080.0000 -118.34440 -115.18681 3.15760 1.94559 -115.90322 458.19258
7085.0000 -118.17915 -115.51678 2.66237 2.00188 -115.15981 514.73954
7090.0000 -118.48393 -115.61625 2.86767 1.94839 -115.86618 463.11077
7095.0000 -118.54456 -116.14071 2.40385 1.94421 -115.92145 466.02502
7100.0000 -118.48051 -115.83719 2.64331 1.95908 -115.72505 484.63922
7105.0000 -118.40495 -114.87340 3.53154 1.97670 -115.49226 496.10710
7110.0000 -118.08185 -115.55630 2.52555 1.99175 -115.29354 500.70885
7115.0000 -118.98431 -116.39313 2.59119 1.90218 -116.47659 417.38857
7120.0000 -119.05605 -116.28331 2.77274 1.93027 -116.10551 447.51807
7125.0000 -118.69131 -116.19667 2.49465 1.96656 -115.62624 503.69543
7130.0000 -118.54322 -115.58986 2.95335 1.93039 -116.10402 461.54225
7135.0000 -119.07544 -116.60214 2.47330 1.94009 -115.97583 464.22294
7140.0000 -119.20165 -116.40790 2.79375 1.90492 -116.44043 430.52237
7145.0000 -118.76432 -115.65873 3.10560 1.91979 -116.24398 455.83315
7150.0000 -117.84833 -115.17954 2.66878 1.98522 -115.37977 501.47680
7155.0000 -118.58872 -115.60053 2.98819 1.97226 -115.55094 492.00236
7160.0000 -118.76035 -115.79410 2.96625 1.96706 -115.61963 511.49698
7165.0000 -119.09380 -116.63767 2.45613 1.93480 -116.04569 492.37257
7170.0000 -118.88890 -116.24154 2.64736 1.89383 -116.58686 450.63526
7175.0000 -119.39537 -116.28790 3.10747 1.92039 -116.23603 472.69885
7180.0000 -118.70102 -116.21324 2.48778 1.91638 -116.28905 466.74670
7185.0000 -119.99760 -116.47153 3.52607 1.86725 -116.93794 429.00676
7190.0000 -118.84138 -115.98822 2.85317 1.89516 -116.56930 458.32469
7195.0000 -119.07027 -116.13245 2.93781 1.93719 -116.01417 459.90988
7200.0000 -118.98506 -115.40850 3.57656 1.97732 -115.48411 498.82957
7205.0000 -118.71087 -115.34461 3.36626 1.95381 -115.79464 463.12349
7210.0000 -118.63024 -115.76110 2.86914 1.97420 -115.52533 484.38309
7215.0000 -118.13589 -115.22126 2.91463 1.94322 -115.93448 479.35640
7220.0000 -118.25448 -114.95813 3.29635 2.00091 -115.17251 545.16570
7225.0000 -117.80554 -115.08945 2.71610 2.03443 -114.72982 561.49193
7230.0000 -117.76028 -114.62886 3.13141 2.02004 -114.91994 514.81418
7235.0000 -117.68059 -115.16146 2.51913 2.00615 -115.10335 486.03226
7240.0000 -118.09611 -114.24974 3.84637 2.04919 -114.53494 536.11499
7245.0000 -117.70910 -114.44474 3.26435 2.03806 -114.68195 521.93418
7250.0000 -118.37388 -115.11226 3.26162 2.03842 -114.67721 504.50707
FREEZING PROCESS: loop number 30 T-loop= 475.00000000000000
main_MD> interactions number 30 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12099 -4.21620 -2.62691
force_rgl> df(natom) -1.11019 1.54204 -0.94243
7255.0000 -118.26627 -115.59789 2.66838 1.99458 -115.25619 482.01753
7260.0000 -119.10000 -116.57738 2.52262 1.93733 -116.01235 442.29379
7265.0000 -118.93008 -115.71760 3.21248 1.94903 -115.85781 456.27009
7270.0000 -118.98669 -116.07343 2.91326 1.95043 -115.83923 471.96762
7275.0000 -119.05193 -116.21480 2.83713 1.94617 -115.89552 482.31595
7280.0000 -119.08620 -115.88050 3.20570 1.94205 -115.94992 457.18198
7285.0000 -118.92913 -116.16114 2.76799 1.94385 -115.92614 472.68335
7290.0000 -118.66573 -115.68259 2.98314 1.94120 -115.96126 466.72201
7295.0000 -119.08775 -116.79927 2.28848 1.93102 -116.09565 448.50642
7300.0000 -118.73916 -115.66923 3.06993 1.93207 -116.08180 454.48339
7305.0000 -119.04328 -115.47820 3.56508 1.97549 -115.50831 526.21226
7310.0000 -119.20058 -116.15001 3.05057 1.94836 -115.86665 476.81718
7315.0000 -119.77307 -117.02614 2.74693 1.90355 -116.45844 430.41229
7320.0000 -118.45580 -116.11596 2.33984 1.87823 -116.79284 415.92500
7325.0000 -118.95641 -116.10920 2.84721 1.92268 -116.20577 458.61717
7330.0000 -118.48406 -115.69920 2.78486 1.91127 -116.35651 439.83577
7335.0000 -118.57269 -115.80314 2.76954 1.94875 -115.86149 474.96154
7340.0000 -119.34771 -115.83297 3.51473 1.93866 -115.99478 450.38238
7345.0000 -119.11612 -116.21498 2.90113 1.93595 -116.03055 464.54626
7350.0000 -119.00398 -116.16255 2.84143 1.91605 -116.29341 459.67434
7355.0000 -118.75309 -115.87902 2.87407 1.94427 -115.92068 478.65026
7360.0000 -119.07471 -115.70794 3.36677 1.94440 -115.91896 485.92771
7365.0000 -118.71064 -115.88578 2.82486 1.95279 -115.80813 481.86496
7370.0000 -119.56442 -116.09306 3.47137 1.93158 -116.08830 465.41633
7375.0000 -118.25259 -115.41985 2.83274 1.97305 -115.54047 506.43040
7380.0000 -118.76335 -115.63075 3.13260 1.98925 -115.32654 518.15479
7385.0000 -118.62820 -115.17071 3.45749 1.98877 -115.33285 517.14848
7390.0000 -117.71086 -114.68477 3.02609 2.04071 -114.64689 532.23380
7395.0000 -118.42998 -115.48085 2.94913 2.02517 -114.85215 523.20364
7400.0000 -118.89302 -115.85256 3.04046 1.96734 -115.61589 477.23101
7405.0000 -118.75341 -115.74798 3.00543 1.96514 -115.64502 468.52902
7410.0000 -118.38808 -115.68069 2.70738 1.97215 -115.55242 466.19640
7415.0000 -119.36710 -116.71320 2.65390 1.92504 -116.17468 456.18504
7420.0000 -119.36413 -116.09272 3.27141 1.92698 -116.14896 487.90487
7425.0000 -119.42087 -116.01580 3.40507 1.95029 -115.84114 518.83765
7430.0000 -119.60120 -117.04877 2.55243 1.90432 -116.44826 483.34347
7435.0000 -119.03802 -116.70599 2.33203 1.88102 -116.75608 463.17927
7440.0000 -119.11242 -116.42109 2.69133 1.90772 -116.40340 494.99323
7445.0000 -119.80717 -117.07541 2.73176 1.87216 -116.87302 444.39603
7450.0000 -120.09087 -117.54821 2.54266 1.85856 -117.05271 441.53210
7455.0000 -119.28865 -116.99288 2.29577 1.84309 -117.25698 424.30908
7460.0000 -118.84752 -116.44841 2.39910 1.88450 -116.71003 456.05471
7465.0000 -119.39725 -116.41905 2.97820 1.92500 -116.17513 500.98021
7470.0000 -119.69644 -117.17879 2.51765 1.89446 -116.57847 476.40680
7475.0000 -119.15941 -116.56072 2.59869 1.84393 -117.24592 426.87804
7480.0000 -119.13496 -116.33749 2.79747 1.89788 -116.53338 461.84584
7485.0000 -119.93676 -117.53876 2.39800 1.88235 -116.73847 455.14753
7490.0000 -119.04606 -116.27652 2.76954 1.90333 -116.46143 476.29906
7495.0000 -119.96299 -116.59727 3.36572 1.91508 -116.30622 489.52391
7500.0000 -119.37034 -116.42539 2.94495 1.89754 -116.53786 468.85783
FREEZING PROCESS: loop number 31 T-loop= 450.00000000000000
main_MD> interactions number 31 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18262 1.66002 -3.12904
force_rgl> df(natom) -0.66556 0.49613 -0.46052
7505.0000 -119.38612 -116.26267 3.12346 1.90532 -116.43504 487.00743
7510.0000 -120.12367 -117.33889 2.78478 1.86633 -116.95001 448.02972
7515.0000 -119.71586 -117.37344 2.34242 1.83118 -117.41431 410.48938
7520.0000 -119.52201 -116.64083 2.88119 1.87883 -116.78500 456.51116
7525.0000 -119.87230 -116.76432 3.10797 1.87865 -116.78735 456.63623
7530.0000 -119.93597 -117.10743 2.82853 1.86087 -117.02222 434.52146
7535.0000 -119.59158 -116.44605 3.14553 1.90646 -116.42002 485.12590
7540.0000 -118.98160 -116.02631 2.95529 1.92136 -116.22324 500.06697
7545.0000 -119.58806 -116.37067 3.21739 1.91411 -116.31902 489.88505
7550.0000 -119.70693 -116.15869 3.54825 1.92178 -116.21765 498.85525
7555.0000 -119.33096 -116.39013 2.94083 1.94525 -115.90764 525.75284
7560.0000 -119.43668 -116.84894 2.58774 1.85585 -117.08850 434.83727
7565.0000 -120.45340 -116.75775 3.69564 1.87054 -116.89442 459.89991
7570.0000 -119.75837 -116.86100 2.89736 1.86707 -116.94031 453.06539
7575.0000 -119.95021 -117.36405 2.58616 1.86896 -116.91529 453.70996
7580.0000 -120.34821 -117.55294 2.79527 1.83307 -117.38939 415.51731
7585.0000 -119.66189 -117.07363 2.58826 1.83922 -117.30809 422.43181
7590.0000 -119.51229 -116.36201 3.15028 1.89936 -116.51382 476.56491
7595.0000 -119.88615 -117.45370 2.43245 1.84247 -117.26525 425.21783
7600.0000 -119.78504 -117.23576 2.54928 1.83803 -117.32377 421.53319
7605.0000 -119.09847 -116.33836 2.76011 1.85814 -117.05817 434.75722
7610.0000 -120.09542 -117.39112 2.70429 1.87311 -116.86057 450.49952
7615.0000 -120.02386 -117.71754 2.30633 1.80242 -117.79410 383.93444
7620.0000 -120.19589 -117.66615 2.52974 1.81087 -117.68262 390.72050
7625.0000 -120.18722 -117.93766 2.24956 1.79704 -117.86517 383.31594
7630.0000 -119.69525 -117.72612 1.96914 1.81921 -117.57240 403.66023
7635.0000 -119.91198 -117.23342 2.67856 1.86956 -116.90739 453.27540
7640.0000 -120.00444 -117.67519 2.32925 1.83912 -117.30942 417.68237
7645.0000 -119.83034 -117.00606 2.82428 1.85660 -117.07854 438.00857
7650.0000 -120.59591 -117.62076 2.97514 1.84083 -117.28681 420.61485
7655.0000 -120.09109 -117.22738 2.86371 1.84199 -117.27158 425.40698
7660.0000 -119.58334 -116.80795 2.77539 1.85613 -117.08479 440.38860
7665.0000 -119.19066 -116.58311 2.60755 1.87865 -116.78735 455.73355
7670.0000 -119.32703 -116.34120 2.98583 1.89825 -116.52846 461.86819
7675.0000 -119.59401 -116.68614 2.90788 1.91506 -116.30651 468.03096
7680.0000 -119.28621 -116.10559 3.18063 1.89698 -116.54525 456.10883
7685.0000 -119.43332 -116.35312 3.08020 1.90135 -116.48759 426.25678
7690.0000 -119.59557 -116.36483 3.23075 1.88957 -116.64309 453.94393
7695.0000 -119.54243 -116.93351 2.60892 1.88837 -116.65894 469.19055
7700.0000 -119.45762 -117.21334 2.24427 1.86718 -116.93880 449.84142
7705.0000 -119.20960 -116.87256 2.33704 1.86448 -116.97456 429.88329
7710.0000 -119.82202 -117.12432 2.69770 1.85193 -117.14029 416.50518
7715.0000 -119.61702 -117.10746 2.50955 1.82662 -117.47457 401.57385
7720.0000 -119.81294 -117.08573 2.72721 1.86825 -116.92465 448.41354
7725.0000 -120.07740 -117.00869 3.06871 1.85724 -117.07008 436.92560
7730.0000 -119.81260 -116.79317 3.01942 1.86117 -117.01823 444.15947
7735.0000 -119.70087 -116.22297 3.47790 1.89780 -116.53439 469.42612
7740.0000 -119.61319 -116.61096 3.00223 1.88755 -116.66977 464.29054
7745.0000 -118.89284 -116.23845 2.65439 1.90627 -116.42249 478.69834
7750.0000 -119.47112 -116.40719 3.06393 1.92361 -116.19348 498.97143
FREEZING PROCESS: loop number 32 T-loop= 425.00000000000000
main_MD> interactions number 32 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98858 -2.29673 -4.14465
force_rgl> df(natom) -0.75362 -1.38772 -0.40543
7755.0000 -120.44576 -117.80416 2.64160 1.86783 -116.93027 436.48024
7760.0000 -120.36976 -118.16987 2.19989 1.77893 -118.10438 356.31991
7765.0000 -120.06318 -117.85540 2.20778 1.79006 -117.95741 367.65024
7770.0000 -119.88507 -117.62245 2.26261 1.81714 -117.59969 386.37619
7775.0000 -119.88399 -116.63228 3.25171 1.84393 -117.24597 413.57505
7780.0000 -119.85868 -117.16364 2.69503 1.85954 -117.03980 434.98806
7785.0000 -119.42784 -116.90586 2.52198 1.87704 -116.80858 449.12477
7790.0000 -119.79195 -117.25324 2.53871 1.86549 -116.96117 433.61068
7795.0000 -119.69371 -117.04589 2.64783 1.86716 -116.93913 435.17429
7800.0000 -119.25250 -116.83295 2.41955 1.86626 -116.95092 424.46551
7805.0000 -119.95602 -117.31458 2.64144 1.85986 -117.03553 423.81245
7810.0000 -119.84855 -116.60606 3.24250 1.85784 -117.06212 431.00277
7815.0000 -119.89261 -117.02710 2.86551 1.86643 -116.94878 433.33031
7820.0000 -120.02992 -117.30848 2.72144 1.84804 -117.19163 424.52340
7825.0000 -119.72489 -117.40602 2.31886 1.84163 -117.27629 416.11293
7830.0000 -119.80316 -117.44879 2.35436 1.81470 -117.63197 385.68887
7835.0000 -119.59508 -117.24811 2.34697 1.83924 -117.30783 406.34486
7840.0000 -119.68487 -117.29654 2.38833 1.86876 -116.91797 436.38291
7845.0000 -119.91052 -117.88571 2.02481 1.80816 -117.71840 373.38853
7850.0000 -120.00344 -117.51082 2.49263 1.77769 -118.12075 345.75082
7855.0000 -119.62812 -117.49588 2.13224 1.83764 -117.32900 406.55664
7860.0000 -120.18525 -117.64653 2.53872 1.80582 -117.74922 380.00673
7865.0000 -119.57183 -117.76219 1.80964 1.82658 -117.47510 388.14333
7870.0000 -119.27781 -116.66793 2.60987 1.84793 -117.19306 420.68529
7875.0000 -119.25884 -116.40219 2.85665 1.87468 -116.83974 436.97009
7880.0000 -119.60750 -116.94543 2.66206 1.88476 -116.70658 453.28921
7885.0000 -119.53035 -117.22407 2.30628 1.86999 -116.90173 444.30845
7890.0000 -119.11564 -116.43778 2.67786 1.87856 -116.78856 442.45397
7895.0000 -119.30057 -116.99929 2.30128 1.85832 -117.05588 433.58115
7900.0000 -119.46822 -117.25802 2.21020 1.84924 -117.17574 430.77563
7905.0000 -120.18773 -117.70759 2.48014 1.83148 -117.41030 415.08121
7910.0000 -119.89761 -116.73127 3.16635 1.83695 -117.33813 418.02214
7915.0000 -119.81327 -117.19174 2.62153 1.84782 -117.19459 448.02953
7920.0000 -119.65308 -116.73944 2.91364 1.88012 -116.76789 457.52539
7925.0000 -119.06171 -116.28081 2.78090 1.90966 -116.37772 489.88075
7930.0000 -119.22255 -116.29284 2.92971 1.90170 -116.48286 483.28662
7935.0000 -119.77984 -116.84992 2.92992 1.87941 -116.77724 459.05751
7940.0000 -119.43086 -116.90223 2.52863 1.87437 -116.84381 444.09812
7945.0000 -119.93241 -117.47965 2.45276 1.86787 -116.92972 443.20351
7950.0000 -120.44169 -117.80862 2.63308 1.80420 -117.77070 383.28709
7955.0000 -120.57734 -117.82112 2.75621 1.80856 -117.71306 392.32763
7960.0000 -119.93789 -116.79959 3.13830 1.83473 -117.36747 400.90665
7965.0000 -119.90052 -117.63167 2.26885 1.83958 -117.30340 414.90013
7970.0000 -119.64260 -117.15194 2.49066 1.82463 -117.50084 403.95695
7975.0000 -119.81986 -117.25314 2.56672 1.85473 -117.10326 438.06774
7980.0000 -120.09066 -117.24749 2.84316 1.81019 -117.69153 395.41303
7985.0000 -119.47306 -116.53103 2.94203 1.85464 -117.10441 443.97107
7990.0000 -119.85807 -117.39804 2.46003 1.88175 -116.74641 451.50133
7995.0000 -119.73379 -116.60051 3.13329 1.84594 -117.21937 431.66652
8000.0000 -119.37841 -116.28889 3.08952 1.91960 -116.24650 500.39042
FREEZING PROCESS: loop number 33 T-loop= 400.00000000000000
main_MD> interactions number 33 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.49327 1.01003 1.27391
force_rgl> df(natom) -1.58771 1.19850 2.20022
8005.0000 -120.36048 -117.86278 2.49770 1.82308 -117.52125 407.65806
8010.0000 -119.75595 -117.44009 2.31586 1.80465 -117.76468 393.88470
8015.0000 -120.02179 -117.29044 2.73135 1.82601 -117.48260 408.53754
8020.0000 -119.92571 -118.03064 1.89507 1.81259 -117.65978 376.14733
8025.0000 -120.50366 -118.31052 2.19315 1.77462 -118.16129 353.26360
8030.0000 -120.05693 -117.56004 2.49689 1.79042 -117.95267 362.64829
8035.0000 -119.39278 -116.45188 2.94090 1.87139 -116.88321 444.52719
8040.0000 -119.54682 -117.22378 2.32304 1.88586 -116.69210 426.81065
8045.0000 -120.38260 -117.48111 2.90149 1.81639 -117.60965 383.65233
8050.0000 -119.94524 -117.52882 2.41642 1.80135 -117.80830 370.80928
8055.0000 -119.28491 -116.71009 2.57482 1.84099 -117.28472 413.78840
8060.0000 -119.80071 -117.08067 2.72004 1.88167 -116.74740 446.99250
8065.0000 -119.41980 -116.74725 2.67255 1.84702 -117.20512 420.35396
8070.0000 -119.80438 -117.69871 2.10568 1.85780 -117.06276 438.01109
8075.0000 -119.80991 -116.79534 3.01456 1.86633 -116.95011 446.87261
8080.0000 -119.40308 -116.62071 2.78236 1.89129 -116.62036 465.79222
8085.0000 -119.64317 -116.86763 2.77554 1.87668 -116.81340 445.54466
8090.0000 -120.00115 -117.38428 2.61688 1.83413 -117.37536 417.13917
8095.0000 -120.08119 -117.64318 2.43801 1.82631 -117.47860 395.29238
8100.0000 -120.28846 -117.65723 2.63122 1.81633 -117.61043 402.11077
8105.0000 -120.44096 -118.06891 2.37205 1.79061 -117.95018 378.24490
8110.0000 -119.75681 -117.47056 2.28625 1.78645 -118.00512 372.30864
8115.0000 -119.88977 -117.28077 2.60900 1.84198 -117.27167 418.05931
8120.0000 -120.47054 -117.75746 2.71308 1.84612 -117.21692 430.79982
8125.0000 -120.31382 -117.80360 2.51022 1.80212 -117.79818 388.13013
8130.0000 -120.25332 -117.85840 2.39492 1.80483 -117.76229 384.55491
8135.0000 -120.45225 -117.96393 2.48832 1.79951 -117.83253 384.81548
8140.0000 -120.53378 -117.41794 3.11584 1.82931 -117.43905 415.15474
8145.0000 -120.32830 -117.63885 2.68945 1.82045 -117.55604 403.88684
8150.0000 -120.09944 -116.87096 3.22848 1.85132 -117.14836 425.07863
8155.0000 -119.99105 -116.83792 3.15313 1.88568 -116.69447 469.69566
8160.0000 -119.61436 -116.94863 2.66573 1.84832 -117.18790 432.84872
8165.0000 -120.03866 -117.29031 2.74835 1.86561 -116.95959 444.18015
8170.0000 -119.90499 -117.72636 2.17863 1.83525 -117.36053 415.11444
8175.0000 -120.03770 -117.80877 2.22893 1.79364 -117.91008 378.83287
8180.0000 -120.20638 -117.21679 2.98960 1.83168 -117.40765 413.29522
8185.0000 -120.02629 -117.69311 2.33318 1.86586 -116.95621 444.51909
8190.0000 -120.05771 -116.86163 3.19608 1.84743 -117.19968 438.65482
8195.0000 -119.63879 -116.96532 2.67347 1.86995 -116.90221 454.62359
8200.0000 -119.99727 -117.49244 2.50482 1.84720 -117.20271 432.96871
8205.0000 -119.84704 -117.86828 1.97876 1.80889 -117.70865 389.31318
8210.0000 -119.88164 -117.60711 2.27453 1.79456 -117.89802 377.04128
8215.0000 -120.31191 -118.18276 2.12916 1.79305 -117.91789 388.01199
8220.0000 -120.32186 -117.98256 2.33930 1.77664 -118.13461 362.31228
8225.0000 -120.81587 -118.17246 2.64341 1.80448 -117.76698 392.87051
8230.0000 -120.38746 -118.01360 2.37386 1.78668 -118.00202 370.64125
8235.0000 -119.70541 -117.31717 2.38824 1.81549 -117.62152 400.97368
8240.0000 -120.55462 -118.10697 2.44764 1.79708 -117.86468 378.80634
8245.0000 -120.02262 -118.06200 1.96061 1.77919 -118.10092 365.68148
8250.0000 -120.26965 -117.82113 2.44851 1.77925 -118.10013 367.02405
FREEZING PROCESS: loop number 34 T-loop= 375.00000000000000
main_MD> interactions number 34 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03322 -1.77219 -0.71208
force_rgl> df(natom) 0.41261 1.68479 1.55438
8255.0000 -120.49284 -117.99976 2.49309 1.78951 -117.96471 364.93367
8260.0000 -120.02393 -117.69852 2.32541 1.79208 -117.93068 381.37316
8265.0000 -120.55283 -118.05064 2.50219 1.80286 -117.78834 390.11356
8270.0000 -120.52344 -118.45050 2.07294 1.76840 -118.24343 361.00688
8275.0000 -120.43293 -118.16963 2.26331 1.74844 -118.50716 337.13041
8280.0000 -120.05327 -117.39265 2.66061 1.79690 -117.86708 381.41851
8285.0000 -119.99512 -117.78253 2.21259 1.80220 -117.79707 388.10986
8290.0000 -120.63376 -118.43058 2.20318 1.78267 -118.05495 370.59026
8295.0000 -120.60401 -118.65891 1.94510 1.74957 -118.49218 338.32536
8300.0000 -120.38896 -118.44942 1.93954 1.74632 -118.53515 335.73170
8305.0000 -120.93324 -118.90319 2.03006 1.73847 -118.63883 329.13721
8310.0000 -120.67888 -118.20247 2.47641 1.74868 -118.50388 339.54381
8315.0000 -120.46779 -118.51194 1.95586 1.77042 -118.21682 358.92847
8320.0000 -120.20595 -118.02056 2.18539 1.75466 -118.42497 348.05075
8325.0000 -120.43745 -118.34483 2.09262 1.76158 -118.33360 350.50170
8330.0000 -119.91892 -117.33711 2.58181 1.79827 -117.84903 391.27227
8335.0000 -120.06944 -117.51487 2.55457 1.81541 -117.62257 403.89569
8340.0000 -119.93602 -116.97404 2.96198 1.83918 -117.30871 422.68906
8345.0000 -120.35089 -117.81794 2.53296 1.82535 -117.49133 412.72974
8350.0000 -119.72212 -117.16935 2.55277 1.80229 -117.79593 390.30154
8355.0000 -120.65783 -118.34716 2.31067 1.80587 -117.74864 393.52941
8360.0000 -120.76167 -118.62107 2.14060 1.75642 -118.40170 345.96474
8365.0000 -120.32693 -118.42077 1.90616 1.73852 -118.63808 333.07577
8370.0000 -120.57820 -118.39410 2.18410 1.76257 -118.32052 352.88538
8375.0000 -120.23396 -118.09092 2.14304 1.77692 -118.13093 366.83464
8380.0000 -120.08453 -117.70931 2.37522 1.78197 -118.06425 364.85009
8385.0000 -120.37076 -117.75364 2.61712 1.81099 -117.68096 385.66734
8390.0000 -120.58531 -118.78511 1.80020 1.78415 -118.03551 368.76209
8395.0000 -120.40557 -118.10186 2.30371 1.76439 -118.29648 351.65745
8400.0000 -119.29258 -116.61820 2.67439 1.83241 -117.39803 401.23227
8405.0000 -119.39047 -117.54163 1.84884 1.85638 -117.08153 429.90814
8410.0000 -119.63806 -117.11114 2.52692 1.85693 -117.07420 420.45084
8415.0000 -120.40697 -117.85069 2.55628 1.82547 -117.48969 405.74896
8420.0000 -120.30588 -117.85871 2.44718 1.78493 -118.02521 378.70029
8425.0000 -120.74079 -118.71452 2.02627 1.75810 -118.37957 344.75747
8430.0000 -120.57638 -118.68603 1.89035 1.72224 -118.85316 313.47553
8435.0000 -119.92712 -118.03253 1.89460 1.76048 -118.34804 345.60521
8440.0000 -120.12292 -117.53129 2.59164 1.81254 -117.66047 385.21934
8445.0000 -120.58614 -118.78286 1.80328 1.80257 -117.79222 390.84843
8450.0000 -120.63054 -118.41628 2.21426 1.75514 -118.41857 344.27411
8455.0000 -120.51163 -118.00805 2.50358 1.75389 -118.43515 340.91345
8460.0000 -120.51970 -117.97379 2.54591 1.77892 -118.10460 372.12036
8465.0000 -120.18040 -117.81715 2.36325 1.79733 -117.86132 384.87279
8470.0000 -119.79011 -117.45706 2.33305 1.79151 -117.93826 372.75912
8475.0000 -120.63171 -117.88316 2.74855 1.80717 -117.73140 393.11943
8480.0000 -120.22593 -117.84816 2.37776 1.78680 -118.00042 370.80210
8485.0000 -120.19785 -117.50315 2.69470 1.80310 -117.78513 385.40991
8490.0000 -119.42666 -117.04618 2.38047 1.84905 -117.17829 416.30484
8495.0000 -120.18998 -117.69518 2.49479 1.84330 -117.25428 411.08200
8500.0000 -119.91298 -117.56844 2.34454 1.82033 -117.55755 387.22491
FREEZING PROCESS: loop number 35 T-loop= 350.00000000000000
main_MD> interactions number 35 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.06626 -1.16764 -1.02812
force_rgl> df(natom) -1.92055 -0.84648 -0.10685
8505.0000 -120.44104 -117.64899 2.79204 1.81824 -117.58527 366.98286
8510.0000 -120.34787 -117.62867 2.71921 1.80287 -117.78819 371.68796
8515.0000 -120.33861 -118.02575 2.31286 1.80794 -117.72132 395.18010
8520.0000 -120.63555 -118.27520 2.36034 1.79750 -117.85920 380.23007
8525.0000 -120.79553 -118.74743 2.04810 1.74961 -118.49162 329.74208
8530.0000 -120.64360 -118.94372 1.69988 1.72676 -118.79341 317.65370
8535.0000 -120.75162 -118.92828 1.82334 1.71927 -118.89236 292.98364
8540.0000 -120.44025 -118.31343 2.12682 1.72069 -118.87367 307.31987
8545.0000 -120.17945 -118.46981 1.70963 1.76107 -118.34035 344.81608
8550.0000 -119.98092 -117.90403 2.07689 1.76833 -118.24443 344.16649
8555.0000 -120.93710 -118.79612 2.14098 1.76935 -118.23095 347.90009
8560.0000 -120.67642 -118.30897 2.36745 1.74614 -118.53753 323.11304
8565.0000 -120.52228 -118.59960 1.92268 1.75295 -118.44756 324.76590
8570.0000 -120.79804 -118.84742 1.95061 1.72759 -118.78250 307.41022
8575.0000 -120.75026 -118.74401 2.00625 1.72465 -118.82136 303.33129
8580.0000 -120.34667 -118.61038 1.73629 1.73403 -118.69748 311.77466
8585.0000 -120.50803 -118.31347 2.19456 1.75339 -118.44179 331.84422
8590.0000 -120.16514 -117.90023 2.26491 1.77702 -118.12959 354.22715
8595.0000 -120.30037 -118.16369 2.13667 1.79361 -117.91047 368.28858
8600.0000 -120.18360 -117.81264 2.37096 1.79271 -117.92242 358.78671
8605.0000 -120.35759 -117.89869 2.45890 1.78755 -117.99060 356.93691
8610.0000 -120.03491 -118.00362 2.03129 1.78274 -118.05406 359.02506
8615.0000 -120.62065 -118.20525 2.41540 1.76678 -118.26483 341.86156
8620.0000 -120.29722 -117.93459 2.36263 1.77197 -118.19629 349.54097
8625.0000 -120.12610 -117.98056 2.14554 1.78118 -118.07471 347.28666
8630.0000 -120.38030 -118.28037 2.09993 1.77416 -118.16748 352.45143
8635.0000 -120.74486 -118.60355 2.14131 1.74176 -118.59527 314.87448
8640.0000 -120.47849 -118.49380 1.98469 1.73909 -118.63059 323.23449
8645.0000 -120.46318 -118.04341 2.41976 1.76829 -118.24494 342.44587
8650.0000 -120.34012 -117.53948 2.80064 1.80476 -117.76324 377.20754
8655.0000 -120.21622 -118.40800 1.80822 1.77539 -118.15111 362.17921
8660.0000 -120.33243 -118.26800 2.06443 1.75032 -118.48227 336.16787
8665.0000 -120.36507 -118.32524 2.03983 1.77177 -118.19897 354.45791
8670.0000 -120.50173 -118.09303 2.40869 1.77526 -118.15284 355.02640
8675.0000 -120.91013 -118.20208 2.70805 1.77193 -118.19684 353.49540
8680.0000 -120.48601 -118.62768 1.85832 1.77024 -118.21925 345.82846
8685.0000 -120.65738 -118.42043 2.23694 1.74337 -118.57406 320.83180
8690.0000 -120.57066 -118.55018 2.02048 1.75874 -118.37113 338.21474
8695.0000 -120.22024 -118.22850 1.99175 1.77631 -118.13900 367.23361
8700.0000 -120.10497 -117.89346 2.21151 1.76873 -118.23916 360.23366
8705.0000 -120.24835 -118.07886 2.16949 1.79549 -117.88568 380.89919
8710.0000 -120.33783 -118.45341 1.88442 1.76826 -118.24533 346.06087
8715.0000 -120.34160 -117.82886 2.51274 1.76470 -118.29229 351.83628
8720.0000 -120.64272 -118.21074 2.43198 1.79463 -117.89702 391.03786
8725.0000 -120.44169 -118.33367 2.10802 1.76368 -118.30579 345.51460
8730.0000 -120.31272 -118.37259 1.94013 1.76148 -118.33486 339.75489
8735.0000 -120.80177 -118.81680 1.98497 1.72544 -118.81091 308.26254
8740.0000 -120.15453 -118.18030 1.97423 1.74022 -118.61574 326.56972
8745.0000 -120.57270 -118.55744 2.01525 1.77042 -118.21686 352.95727
8750.0000 -120.78189 -118.66768 2.11421 1.75542 -118.41494 338.40407
FREEZING PROCESS: loop number 36 T-loop= 325.00000000000000
main_MD> interactions number 36 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85187 -2.08917 1.89784
force_rgl> df(natom) 1.49043 -0.56703 -0.30344
8755.0000 -119.86770 -118.01863 1.84907 1.75474 -118.42396 336.02527
8760.0000 -120.63663 -118.48341 2.15323 1.76425 -118.29834 343.79474
8765.0000 -120.66146 -118.65600 2.00546 1.73388 -118.69947 316.38079
8770.0000 -120.34214 -118.28975 2.05239 1.72372 -118.83367 316.56230
8775.0000 -120.76471 -119.28078 1.48393 1.74472 -118.55625 328.72221
8780.0000 -120.86743 -118.28277 2.58467 1.71661 -118.92745 299.39788
8785.0000 -120.80189 -118.91019 1.89170 1.73401 -118.69775 317.65930
8790.0000 -120.58792 -118.68491 1.90301 1.73006 -118.74984 312.78031
8795.0000 -120.51648 -118.45453 2.06195 1.74721 -118.52331 333.33198
8800.0000 -120.39726 -118.26124 2.13602 1.77603 -118.14271 358.67321
8805.0000 -120.13383 -117.93544 2.19839 1.76423 -118.29851 347.65613
8810.0000 -120.87965 -118.89769 1.98196 1.74356 -118.57154 328.64954
8815.0000 -120.26652 -118.75543 1.51109 1.71463 -118.95367 300.26150
8820.0000 -120.38033 -118.62146 1.75887 1.73220 -118.72156 318.10697
8825.0000 -120.65864 -118.61221 2.04643 1.73514 -118.68281 317.73935
8830.0000 -120.62573 -118.34292 2.28281 1.75311 -118.44539 329.71748
8835.0000 -120.77874 -119.02348 1.75526 1.75473 -118.42407 337.75316
8840.0000 -120.61873 -118.51623 2.10249 1.71654 -118.92845 300.66923
8845.0000 -120.52979 -117.89356 2.63623 1.74783 -118.51521 332.72331
8850.0000 -120.78451 -118.74817 2.03634 1.74315 -118.57696 328.60334
8855.0000 -120.46291 -118.66130 1.80161 1.73071 -118.74129 319.25501
8860.0000 -120.78808 -118.88594 1.90214 1.74218 -118.58977 323.33754
8865.0000 -120.59249 -118.60789 1.98460 1.73542 -118.67904 320.99821
8870.0000 -120.98812 -118.77629 2.21183 1.73136 -118.73266 315.46473
8875.0000 -120.89738 -119.13887 1.75851 1.69387 -119.22783 276.07214
8880.0000 -120.57884 -118.77123 1.80761 1.69746 -119.18043 284.39812
8885.0000 -120.49104 -118.09086 2.40018 1.73075 -118.74080 312.96858
8890.0000 -120.65804 -118.59728 2.06076 1.74193 -118.59315 326.55470
8895.0000 -120.18436 -118.13445 2.04991 1.75476 -118.42359 340.70214
8900.0000 -120.74319 -118.66863 2.07457 1.75410 -118.43235 335.20993
8905.0000 -120.91930 -119.06805 1.85125 1.74064 -118.61010 325.60316
8910.0000 -121.22831 -119.15041 2.07790 1.70212 -119.11892 284.94737
8915.0000 -121.00802 -119.00878 1.99923 1.71482 -118.95120 296.99400
8920.0000 -120.80079 -118.96619 1.83460 1.70670 -119.05835 289.29374
8925.0000 -120.72598 -118.73133 1.99464 1.71013 -119.01311 294.24886
8930.0000 -120.91323 -118.68392 2.22932 1.74016 -118.61646 325.25445
8935.0000 -120.56102 -118.81113 1.74989 1.73858 -118.63739 324.30669
8940.0000 -120.66607 -118.57280 2.09326 1.72497 -118.81705 315.15871
8945.0000 -120.63724 -118.62025 2.01699 1.74559 -118.54473 326.43809
8950.0000 -120.80707 -119.24907 1.55800 1.70829 -119.03746 291.52213
8955.0000 -120.73514 -118.92135 1.81379 1.71976 -118.88592 299.89750
8960.0000 -120.41627 -118.12820 2.28807 1.74262 -118.58397 317.11276
8965.0000 -120.53541 -118.36606 2.16935 1.76566 -118.27971 340.90838
8970.0000 -120.25007 -118.23868 2.01139 1.75704 -118.39349 334.77994
8975.0000 -120.30774 -118.55203 1.75571 1.77191 -118.19709 342.19324
8980.0000 -120.65247 -118.63037 2.02210 1.75674 -118.39754 338.21557
8985.0000 -120.92809 -118.90909 2.01900 1.73762 -118.65004 322.33362
8990.0000 -120.58518 -118.35745 2.22772 1.72459 -118.82212 310.05009
8995.0000 -120.26310 -118.10272 2.16038 1.77349 -118.17631 362.37464
9000.0000 -120.37410 -117.96563 2.40847 1.78825 -117.98126 369.11401
FREEZING PROCESS: loop number 37 T-loop= 300.00000000000000
main_MD> interactions number 37 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13811 0.11929 -1.92828
force_rgl> df(natom) 1.18668 -0.20561 0.71726
9005.0000 -120.55354 -118.31949 2.23405 1.76642 -118.26969 348.66824
9010.0000 -120.61396 -118.80048 1.81347 1.74654 -118.53217 327.42581
9015.0000 -121.20174 -118.95773 2.24401 1.71708 -118.92129 304.11722
9020.0000 -120.97942 -118.79171 2.18770 1.69858 -119.16560 285.46446
9025.0000 -120.48478 -118.85585 1.62893 1.72829 -118.77320 307.57402
9030.0000 -120.66673 -118.59405 2.07269 1.72780 -118.77966 306.28055
9035.0000 -120.82873 -118.62548 2.20325 1.73044 -118.74486 318.93683
9040.0000 -120.65860 -118.73278 1.92583 1.72760 -118.78243 310.00772
9045.0000 -120.77766 -119.22389 1.55376 1.71084 -119.00368 295.76059
9050.0000 -120.82594 -119.14606 1.67988 1.71214 -118.98650 298.07366
9055.0000 -120.86502 -118.97527 1.88974 1.69758 -119.17884 280.17479
9060.0000 -120.71470 -119.02023 1.69447 1.71283 -118.97740 300.51775
9065.0000 -120.13998 -117.62784 2.51214 1.74033 -118.61425 323.68536
9070.0000 -120.45610 -118.38873 2.06737 1.77879 -118.10630 360.66980
9075.0000 -120.95646 -119.01167 1.94478 1.73399 -118.69794 317.30520
9080.0000 -120.71395 -118.94082 1.77312 1.71074 -119.00502 304.24840
9085.0000 -121.43695 -119.50123 1.93572 1.69295 -119.23999 277.65944
9090.0000 -120.31835 -118.29700 2.02136 1.72650 -118.79691 310.92078
9095.0000 -120.69729 -119.05113 1.64616 1.72140 -118.86427 305.89660
9100.0000 -120.86280 -119.19250 1.67029 1.70961 -119.01995 291.89578
9105.0000 -121.21559 -119.17809 2.03750 1.69639 -119.19464 280.81863
9110.0000 -121.11580 -119.25595 1.85986 1.69486 -119.21472 285.67664
9115.0000 -121.06762 -119.20710 1.86052 1.70730 -119.05047 291.52161
9120.0000 -120.73907 -118.73346 2.00561 1.73054 -118.74351 313.67355
9125.0000 -120.93854 -119.16720 1.77134 1.72504 -118.81620 308.66357
9130.0000 -121.04628 -118.94625 2.10003 1.70233 -119.11617 283.46457
9135.0000 -120.51989 -118.86818 1.65171 1.72477 -118.81970 308.78047
9140.0000 -120.39448 -118.50782 1.88666 1.72577 -118.80655 304.83493
9145.0000 -120.59094 -118.54662 2.04431 1.73589 -118.67292 325.59142
9150.0000 -120.53215 -118.83660 1.69555 1.74911 -118.49831 334.01415
9155.0000 -120.67884 -119.01761 1.66123 1.73349 -118.70451 316.83797
9160.0000 -120.45836 -118.80002 1.65834 1.73269 -118.71513 318.78480
9165.0000 -121.01431 -119.22321 1.79110 1.70132 -119.12942 284.62358
9170.0000 -120.62573 -118.59926 2.02647 1.72330 -118.83911 304.39947
9175.0000 -121.10568 -119.06554 2.04015 1.72073 -118.87306 302.68514
9180.0000 -120.83352 -119.17408 1.65944 1.70661 -119.05959 288.50977
9185.0000 -121.18957 -118.96350 2.22607 1.70807 -119.04028 290.03030
9190.0000 -120.93647 -118.97467 1.96180 1.70443 -119.08840 287.84511
9195.0000 -121.14057 -119.23074 1.90983 1.70477 -119.08389 284.26758
9200.0000 -120.92681 -118.97927 1.94754 1.69366 -119.23061 275.28743
9205.0000 -120.86202 -119.08370 1.77833 1.70473 -119.08441 285.57133
9210.0000 -121.05615 -119.43613 1.62002 1.69050 -119.27239 273.57779
9215.0000 -120.83765 -119.30858 1.52907 1.68207 -119.38370 263.84559
9220.0000 -121.07394 -119.50723 1.56671 1.69596 -119.20028 279.85466
9225.0000 -120.89937 -118.57372 2.32565 1.69860 -119.16545 279.43577
9230.0000 -120.85613 -118.60897 2.24716 1.72399 -118.83009 311.51835
9235.0000 -120.93548 -118.65705 2.27844 1.73649 -118.66500 318.98718
9240.0000 -121.09900 -119.25536 1.84364 1.72164 -118.86105 302.01950
9245.0000 -121.27373 -119.45051 1.82322 1.68252 -119.37778 262.92793
9250.0000 -120.85042 -118.78847 2.06195 1.70559 -119.07310 289.02760
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 9 [min], 9.1705691 [s].
main_MD> Deallocating global variables
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